O=C(CSC1=NNC(=O)[N-]1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300024348531	0	33	-2.0	-89.02	338.96	-0.27	-89.29
O=C(CSC1=NNC(=O)[N-]1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300024348531	1	33	-2.0	-89.05	339.02	-0.26	-89.31
CS(=O)(=O)[N-]C(=O)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348720	0	31	-2.0	-97.19	310.78	-6.18	-103.37
COC(=O)C1=C(C2CC2)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024348734	1	34	-2.0	-93.38	334.60	0.99	-92.39
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2CCCC3=CC=CC=C32)S1	REAL300024348759	0	40	-2.0	-97.86	367.89	2.96	-94.90
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C2=CC=C(F)C=C2)S1	REAL300024348813	1	31	-2.0	-90.57	315.43	1.95	-88.62
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Br)C([O-])=C1	REAL300024348837	1	26	-2.0	-85.70	275.73	-0.69	-86.39
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300024348838	0	31	-2.0	-85.01	300.12	-2.72	-87.73
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C(=O)NC2CCCCC2)C([O-])=C1	REAL300024348907	1	46	-2.0	-115.65	393.52	2.10	-113.55
O=C(CSC1=NNC(=O)[N-]1)[N-]OCC1=CC=C(F)C=C1Br	REAL300024348914	0	29	-2.0	-91.40	307.94	2.03	-89.37
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300024348974	0	30	-2.0	-100.00	322.65	1.53	-98.47
O=C(CSC1=NNC(=O)[N-]1)NC1=NC(Br)=CC=C1[O-]	REAL300024348998	1	25	-2.0	-85.86	271.90	-1.06	-86.92
O=C(CSC1=NNC(=O)[N-]1)N1CCSCC1C1=N[N-]N=N1	REAL300024349073	0	31	-2.0	-97.33	290.96	-1.48	-98.81
O=C(CSC1=NNC(=O)[N-]1)N1CCSCC1C1=NN=N[N-]1	REAL300024349073	1	31	-2.0	-97.38	291.03	-1.48	-98.86
CC1=CC=C(C2=CN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)C(C)=C1	REAL300024349105	1	37	-2.0	-95.03	350.69	3.21	-91.82
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(CC2=CC=C(Cl)C=C2)S1	REAL300024349119	0	33	-2.0	-93.54	346.15	2.02	-91.52
O=C(CSC1=NNC(=O)[N-]1)NCCC1=N[N-]C(=S)O1	REAL300024349133	0	27	-2.0	-88.82	284.09	-5.76	-94.58
CCOC(=O)CC1=CN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024351448	1	33	-2.0	-97.86	330.42	0.71	-97.15
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(F)=CC(F)=C1[O-]	REAL300024351513	1	26	-2.0	-83.73	266.43	-1.10	-84.83
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C2=CN=CC=N2)S1	REAL300024351519	1	29	-2.0	-93.61	300.88	-1.66	-95.27
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)CSC1=NNC(=O)[N-]1)S2	REAL300024351528	1	37	-2.0	-90.74	347.18	0.97	-89.77
CC(C)(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=NC(=O)O[N-]1	REAL300024351663	0	36	-2.0	-82.33	315.05	-2.38	-84.71
CSC1=NC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024351814	1	31	-2.0	-86.78	313.11	-3.12	-89.90
COC1=C2SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=NC2=CC=C1	REAL300024351829	1	31	-2.0	-98.10	307.95	-0.10	-98.20
CCOC(=O)C(C)(C)O[N-]C(=O)CSC1=NNC(=O)[N-]1	REAL300024351840	0	34	-2.0	-98.52	319.60	1.46	-97.06
CCOC(=O)C1=C(C)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024351855	1	33	-2.0	-84.88	324.29	-0.02	-84.90
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351859	1	38	-2.0	-84.93	336.22	-0.46	-85.39
CCN(CC)CC1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351868	1	38	-2.0	-88.62	338.15	-1.24	-89.86
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=CC=C([O-])C(Cl)=C2)CC1	REAL300024353076	1	41	-2.0	-89.54	368.27	0.70	-88.84
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300024353133	0	35	-2.0	-79.51	352.66	-1.39	-80.90
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300024353846	0	36	-2.0	-85.16	316.38	-0.17	-85.33
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300024353846	1	36	-2.0	-85.18	316.44	-0.16	-85.34
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C([O-])C(Cl)=C1	REAL300024353887	1	29	-2.0	-85.77	297.43	-0.68	-86.45
CC(C)C1=NSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353942	0	29	-2.0	-86.20	288.23	-0.89	-87.09
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=NC2=CC=CC=C2S1	REAL300024353944	0	31	-2.0	-99.31	320.35	-1.72	-101.03
COC1=CC=CC(CC2=CN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)=C1	REAL300024353965	1	38	-2.0	-96.05	363.91	2.09	-93.96
CC1=CC(=O)N(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)[N-]1	REAL300024354040	1	36	-2.0	-99.28	332.49	1.08	-98.20
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300024354051	0	30	-2.0	-104.55	302.73	-2.36	-106.91
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=NSN=C1	REAL300024354068	0	24	-2.0	-89.18	265.96	-5.23	-94.41
CCOC(=O)C1=N[N-]N=C1C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024354092	1	40	-2.0	-97.86	362.44	0.31	-97.55
CCC(C)C1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357219	1	33	-2.0	-89.34	308.47	0.27	-89.07
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(CO)=C(C2=CC=CC=C2)S1	REAL300024357235	1	35	-2.0	-99.09	340.07	-0.79	-99.88
N#CC1=CC=C(C2=NN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)C=C1	REAL300024357313	0	31	-2.0	-93.27	326.80	1.12	-92.15
COC1=CC=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=N1	REAL300024357364	1	30	-2.0	-89.70	303.40	-3.25	-92.95
COCC1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024357393	0	27	-2.0	-94.48	281.69	-3.22	-97.70
CC1(C)CC2=C(SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C(=O)N1	REAL300024357493	1	35	-2.0	-94.77	329.06	-2.35	-97.12
O=C(CSC1=NNC(=O)[N-]1)N1CC([N-]C(=O)C(F)(F)F)C1	REAL300024357816	0	29	-2.0	-82.40	298.76	-3.34	-85.74
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300024357874	0	31	-2.0	-83.59	300.11	-2.72	-86.31
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(S1)C(=O)COC2	REAL300024357933	1	28	-2.0	-90.01	285.82	-2.92	-92.93
CC1=NN(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C(=O)[N-]1	REAL300024357934	1	38	-2.0	-90.20	336.54	-0.32	-90.52
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300024357988	0	30	-2.0	-93.84	312.52	0.79	-93.05
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)CSC1=NNC(=O)[N-]1)S2	REAL300024357997	1	37	-2.0	-92.00	350.58	1.27	-90.73
CSC1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024358018	0	24	-2.0	-91.02	270.93	-1.73	-92.75
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(CC2CC2)S1	REAL300024358021	0	30	-2.0	-94.31	301.12	0.04	-94.27
COC(=O)C(CC(C)C)O[N-]C(=O)CSC1=NNC(=O)[N-]1	REAL300024358029	0	37	-2.0	-98.49	335.79	2.07	-96.42
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC(F)=C1[O-]	REAL300024358032	0	26	-2.0	-84.13	276.75	-0.65	-84.78
CCOC(=O)C1=C(Br)N=C(NC(=O)CSC2=NNC(=O)[N-]2)[N-]1	REAL300024358059	0	31	-2.0	-87.05	322.31	1.65	-85.40
CCOC(=O)C1=C(Br)[N-]C(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024358059	1	31	-2.0	-87.68	323.18	1.65	-86.03
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2CCCCC2)=NS1	REAL300024358079	0	36	-2.0	-86.99	329.86	1.03	-85.96
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300024358104	0	30	-2.0	-82.10	314.97	-0.26	-82.36
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300024358104	1	30	-2.0	-82.08	315.03	-0.26	-82.34
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2)S1	REAL300024358119	1	34	-2.0	-92.65	351.13	3.31	-89.34
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)=C1	REAL300024358120	1	35	-2.0	-95.77	355.27	3.17	-92.60
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N-]C(=O)C(F)(F)F)CC1	REAL300024358193	1	35	-2.0	-80.17	324.39	-1.85	-82.02
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024358423	1	39	-2.0	-89.90	362.95	-0.01	-89.91
COC1=C(Cl)C=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=C1	REAL300024358439	1	31	-2.0	-91.75	323.97	0.44	-91.31
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=CC=C(Br)C=N1	REAL300024358815	0	28	-2.0	-92.62	303.78	-2.35	-94.97
O=C(CSC1=NNC(=O)[N-]1)NC1=C([O-])C=CC(Cl)=C1F	REAL300024358844	1	26	-2.0	-89.63	282.03	-0.65	-90.28
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=NC=C(Br)C=N1	REAL300024358871	0	27	-2.0	-93.96	299.45	-3.16	-97.12
CC1CCC(C[N-]C(=O)C(F)(F)F)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358882	1	41	-2.0	-97.67	356.36	0.60	-97.07
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(C(F)(F)F)=C(Cl)C=C1[O-]	REAL300024358891	1	29	-2.0	-80.30	306.46	0.18	-80.12
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358893	1	37	-2.0	-92.06	349.38	-3.24	-95.30
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358894	1	37	-2.0	-91.50	351.44	-4.21	-95.71
CC(C)(C)OC(=O)C(C)(C)O[N-]C(=O)CSC1=NNC(=O)[N-]1	REAL300024358899	0	40	-2.0	-99.59	352.65	2.52	-97.07
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(S1)C(=O)NCCC2	REAL300024358979	1	32	-2.0	-93.60	306.50	-3.05	-96.65
CCC1=C(C2=CC=CC=C2)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024358995	1	37	-2.0	-98.39	350.02	3.20	-95.19
N#CC1=CC=CC=C1CC1=CN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024358996	1	35	-2.0	-98.61	351.68	2.91	-95.70
CC1=C(C2=CC=C3OCOC3=C2)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024358997	1	37	-2.0	-93.86	351.83	0.71	-93.15
COCCC1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024359142	0	30	-2.0	-92.26	303.19	-2.44	-94.70
CCN1[N-]C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024601404	0	39	-2.0	-88.53	365.52	-3.67	-92.20
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC(=S)N1[O-]	REAL300024601442	0	36	-2.0	-119.38	352.17	-0.19	-119.57
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1SC(=O)[N-]C1=O	REAL300024601461	0	36	-2.0	-85.29	354.76	-7.16	-92.45
CN1N=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024601481	0	35	-2.0	-91.55	338.30	-6.10	-97.65
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)NC(C2CC2)=N1	REAL300024601613	0	44	-2.0	-87.41	393.54	-2.57	-89.98
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]C(C2CC2)=N1	REAL300024601613	1	44	-2.0	-87.41	393.54	-2.57	-89.98
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C[N-]N=CC1=O	REAL300024601629	0	34	-2.0	-78.71	325.20	-4.15	-82.86
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300024601675	0	38	-2.0	-99.34	360.17	-3.73	-103.07
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(=O)N[N-]1	REAL300024601802	0	33	-2.0	-85.25	320.97	-6.32	-91.57
C[PH](C)([O-])C(=O)C(=O)NCCNC(=O)CSC1=NC(=O)NN1	REAL300024601807	0	38	-2.0	-90.11	359.53	-5.48	-95.59
C[PH](C)([O-])C(=O)C(=O)NCCNC(=O)CSC1=NC(=O)[N-]N1	REAL300024601807	1	38	-2.0	-90.11	359.53	-5.48	-95.59
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CN([O-])C1=O	REAL300024601861	0	36	-2.0	-98.41	341.20	-2.07	-100.48
CSC1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024601887	0	38	-2.0	-85.91	367.35	-4.27	-90.18
CSC1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024601887	1	38	-2.0	-85.91	367.35	-4.27	-90.18
CC1SC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300024601915	0	35	-2.0	-92.92	347.52	-6.18	-99.10
CC1=C([O-])N=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024601915	1	35	-2.0	-92.92	347.52	-6.18	-99.10
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(=O)C=C(Cl)N1	REAL300024601939	0	35	-2.0	-82.13	351.13	-3.01	-85.14
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300024601939	1	35	-2.0	-82.13	351.13	-3.01	-85.14
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(=O)N([O-])C=C1	REAL300024601967	0	36	-2.0	-102.80	343.98	-2.25	-105.05
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC(=O)N1[O-]	REAL300024602042	0	36	-2.0	-115.84	341.05	-1.23	-117.07
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300024609614	0	36	-2.0	-90.77	358.35	-0.59	-91.36
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(F)C([O-])=C1	REAL300024609654	1	36	-2.0	-90.57	344.18	-2.73	-93.30
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300024609664	1	41	-2.0	-107.76	376.57	-0.69	-108.45
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300024609668	0	38	-2.0	-93.63	363.96	-0.49	-94.12
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300024609672	0	38	-2.0	-87.21	363.97	-0.49	-87.70
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O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=CC=C(O)C(Cl)=C1	REAL300024610141	0	39	-2.0	-97.05	378.64	-1.57	-98.62
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CC(CNC(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750489	0	37	-2.0	-81.96	345.01	-3.06	-85.02
CC(CNC(=O)C1=CC=C2N=NN([O-])C2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750526	0	41	-2.0	-98.01	379.98	-2.65	-100.66
CC(CNC(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750622	0	36	-2.0	-87.63	340.78	-5.23	-92.86
CC(CNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)NN1	REAL300024750627	0	41	-2.0	-93.10	374.97	-4.18	-97.28
CC(CNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)[N-]N1	REAL300024750627	1	41	-2.0	-93.10	374.97	-4.18	-97.28
CC(CNC(=O)C1=CC=CN([O-])C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750673	0	39	-2.0	-105.19	361.01	-0.99	-106.18
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CC(CNC(=O)C1=NC(=O)C(C)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750716	0	38	-2.0	-99.07	367.33	-5.09	-104.16
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CC(CNC(=O)C1=CC(=O)C=C(Cl)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750733	0	38	-2.0	-84.29	370.94	-1.93	-86.22
CC(CNC(=O)C1=CC(=O)C=C(Cl)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750733	1	38	-2.0	-84.29	370.94	-1.93	-86.22
CC(CNC(=O)C1=CC(=O)N([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750755	0	39	-2.0	-103.77	363.79	-1.16	-104.93
CC(CNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750810	0	39	-2.0	-112.15	360.86	-0.15	-112.30
CC(CNC(=O)CC1=C([O-])N=C(N)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750977	0	40	-2.0	-104.08	382.11	-6.17	-110.25
CC(CNC(=O)CC1=NC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751034	0	38	-2.0	-104.14	367.30	-5.31	-109.45
CC(CNC(=O)C1=C(Cl)C(=O)[N-]S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751146	0	35	-2.0	-88.97	358.35	-3.92	-92.89
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C([O-])=C1	REAL300024756523	1	39	-2.0	-93.37	363.99	-1.63	-95.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300024756533	0	41	-2.0	-93.46	383.77	0.61	-92.85
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300024756536	0	41	-2.0	-87.88	383.78	0.61	-87.27
CC(CNC(=O)CSC1=NNC(=O)[N-]1)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300024756538	0	34	-2.0	-77.58	338.68	-2.89	-80.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300024756548	1	39	-2.0	-96.01	372.33	0.46	-95.55
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300024756569	0	41	-2.0	-86.18	385.97	-1.04	-87.22
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024756644	0	37	-2.0	-84.55	354.55	-7.50	-92.05
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024756644	1	37	-2.0	-84.55	354.55	-7.50	-92.05
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300024756677	0	41	-2.0	-99.94	379.98	-2.62	-102.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300024756717	0	35	-2.0	-88.29	358.35	-3.91	-92.20
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(N)NC1=O	REAL300024756739	0	39	-2.0	-86.34	359.20	-4.32	-90.66
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(N)[N-]C1=O	REAL300024756739	1	39	-2.0	-86.34	359.20	-4.32	-90.66
CC1=C(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C(=O)C(C#N)=C1	REAL300024756770	0	42	-2.0	-86.21	390.67	-2.52	-88.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300024756850	0	40	-2.0	-88.36	377.97	-2.16	-90.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300024756850	1	40	-2.0	-88.36	377.97	-2.16	-90.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300024756857	0	41	-2.0	-94.11	376.10	-1.73	-95.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC=CC(Cl)=C1[O-]	REAL300024756870	0	38	-2.0	-92.88	369.03	-1.26	-94.14
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC=C(O)C(Cl)=C1	REAL300024756876	0	42	-2.0	-97.43	398.45	-0.47	-97.90
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300024756876	1	42	-2.0	-97.43	398.45	-0.47	-97.90
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC=C1O	REAL300024756927	0	38	-2.0	-96.26	350.89	-1.87	-98.13
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC=C1[O-]	REAL300024756927	1	38	-2.0	-96.26	350.89	-1.87	-98.13
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300024756937	0	35	-2.0	-91.95	335.53	-4.71	-96.66
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)C(C)S1	REAL300024756970	0	38	-2.0	-95.45	367.33	-5.08	-100.53
CC1=C([O-])N=C(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024756970	1	38	-2.0	-95.45	367.33	-5.08	-100.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(=O)C1=CC=C(O)C=C1	REAL300024757086	0	41	-2.0	-89.48	378.10	-1.81	-91.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300024757086	1	41	-2.0	-89.48	378.10	-1.81	-91.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(C=N[O-])S1	REAL300024757118	0	38	-2.0	-100.14	376.16	-3.62	-103.76
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)C=C(Cl)N1	REAL300024757149	0	38	-2.0	-83.50	370.93	-1.91	-85.41
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300024757149	1	38	-2.0	-83.50	370.93	-1.91	-85.41
CN(CCNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787360	0	37	-2.0	-82.52	343.02	-2.01	-84.53
CN(CCNC(=O)C1=CC=C2N=NN([O-])C2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787397	0	41	-2.0	-104.99	377.99	-1.59	-106.58
CN(CCNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787493	0	36	-2.0	-89.53	338.80	-4.17	-93.70
CN(CCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)NN1	REAL300024787498	0	41	-2.0	-93.37	373.25	-3.13	-96.50
CN(CCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)[N-]N1	REAL300024787498	1	41	-2.0	-93.37	373.25	-3.13	-96.50
CN(CCNC(=O)CCC1=NC(=O)NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787537	0	41	-2.0	-99.31	374.73	-4.49	-103.80
CN(CCNC(=O)CCC1=NC(=O)[N-]N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787537	1	41	-2.0	-99.31	374.73	-4.49	-103.80
CN(CCNC(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787544	0	39	-2.0	-99.66	359.02	0.07	-99.59
CSC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024787563	0	41	-2.0	-88.95	385.17	-2.13	-91.08
CSC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024787563	1	41	-2.0	-88.95	385.17	-2.13	-91.08
CC1SC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300024787587	0	38	-2.0	-94.60	365.34	-4.03	-98.63
CC1=C([O-])N=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024787587	1	38	-2.0	-94.60	365.34	-4.03	-98.63
CN(CCNC(=O)C1=CC(=O)C=C(Cl)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787604	0	38	-2.0	-86.30	369.22	-0.85	-87.15
CN(CCNC(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787604	1	38	-2.0	-86.30	369.22	-0.85	-87.15
CN(CCNC(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787626	0	39	-2.0	-107.03	362.08	-0.09	-107.12
CN(CCNC(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024787681	0	39	-2.0	-124.09	359.15	0.93	-123.16
CN(CCNC(=O)CC1=C([O-])N=C(N)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787848	0	40	-2.0	-107.32	380.13	-5.11	-112.43
CN(CCNC(=O)CC1=NC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787905	0	38	-2.0	-109.27	365.58	-4.23	-113.50
CN(CCNC(=O)C1=C(Cl)C(=O)[N-]S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788017	0	35	-2.0	-90.19	356.36	-2.87	-93.06
COCC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024788118	1	44	-2.0	-89.47	397.14	-3.40	-92.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C([O-])=C1	REAL300024793394	1	39	-2.0	-91.90	358.37	-1.02	-92.92
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300024793404	0	41	-2.0	-103.48	378.39	1.14	-102.34
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300024793407	0	41	-2.0	-94.22	382.46	0.44	-93.78
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300024793419	1	39	-2.0	-106.01	366.95	0.99	-105.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300024793440	0	41	-2.0	-86.53	380.37	-0.43	-86.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024793515	0	37	-2.0	-88.80	346.62	-5.06	-93.86
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024793515	1	37	-2.0	-88.80	346.62	-5.06	-93.86
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300024793548	0	41	-2.0	-106.98	376.29	-1.97	-108.95
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300024793588	0	35	-2.0	-93.39	351.83	-3.32	-96.71
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(N)NC1=O	REAL300024793610	0	39	-2.0	-101.38	364.09	-3.76	-105.14
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CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)[N-]C(=O)C(C#N)=C1	REAL300024793641	0	42	-2.0	-83.84	385.95	-0.48	-84.32
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300024793721	0	40	-2.0	-89.36	373.13	-1.55	-90.91
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300024793721	1	40	-2.0	-89.36	373.13	-1.55	-90.91
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC=C(O)C(Cl)=C1	REAL300024793747	0	42	-2.0	-102.79	396.73	0.57	-102.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300024793747	1	42	-2.0	-102.79	396.73	0.57	-102.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024793808	0	35	-2.0	-94.21	331.08	-3.80	-98.01
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(=O)C1=CC=C(O)C=C1	REAL300024793957	0	41	-2.0	-91.01	382.50	-0.98	-91.99
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300024793957	1	41	-2.0	-91.01	382.50	-0.98	-91.99
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(C=N[O-])S1	REAL300024793989	0	38	-2.0	-104.53	369.76	-3.07	-107.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300024794020	0	38	-2.0	-86.72	366.58	-0.32	-87.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300024794020	1	38	-2.0	-86.72	366.58	-0.32	-87.04
CSC1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024794045	0	41	-2.0	-102.10	392.04	-2.60	-104.70
CSC1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024794045	1	41	-2.0	-102.10	392.04	-2.60	-104.70
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300024794052	0	39	-2.0	-88.98	366.72	-5.19	-94.17
CCN1[N-]C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024794126	0	42	-2.0	-93.72	380.64	-1.25	-94.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024794148	0	39	-2.0	-92.86	358.89	-2.19	-95.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024823985	0	37	-2.0	-87.80	349.77	-2.42	-90.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300024824022	0	41	-2.0	-106.98	376.29	-1.97	-108.95
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024824118	0	36	-2.0	-90.06	336.66	-3.92	-93.98
CN(CCNC(=O)CSC1=NC(=O)NN1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024824123	0	41	-2.0	-92.77	371.36	-2.79	-95.56
CN(CCNC(=O)CSC1=NC(=O)[N-]N1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024824123	1	41	-2.0	-92.77	371.36	-2.79	-95.56
CN(CCNC(=O)C1=CC=C(F)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830019	1	39	-2.0	-92.50	362.28	-0.57	-93.07
CN(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024830029	0	41	-2.0	-100.99	382.05	1.68	-99.31
CN(CCNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024830032	0	41	-2.0	-93.57	381.79	1.66	-91.91
CN(CC[N-]C(=O)C(F)(F)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830034	1	34	-2.0	-86.09	340.35	-1.80	-87.89
CN(CCNC(=O)C1=CC=C(Cl)C=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024830044	1	39	-2.0	-104.11	370.61	1.53	-102.58
CN(CCNC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830065	0	41	-2.0	-86.08	384.26	0.02	-86.06
CN(CCNC(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830140	0	37	-2.0	-85.87	352.84	-6.45	-92.32
CN(CCNC(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830140	1	37	-2.0	-85.87	352.84	-6.45	-92.32
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024860023	0	35	-2.0	-84.44	332.55	-2.53	-86.97
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300024860062	0	39	-2.0	-98.81	367.52	-2.13	-100.94
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]N=CC1=O	REAL300024999238	0	37	-2.0	-79.63	345.01	-3.06	-82.69
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300024999275	0	41	-2.0	-99.93	379.98	-2.62	-102.55
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N[N-]1	REAL300024999371	0	36	-2.0	-86.78	340.78	-5.20	-91.98
C[C@H](CNC(=O)CSC1=NC(=O)NN1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024999376	0	41	-2.0	-91.76	374.96	-4.18	-95.94
C[C@H](CNC(=O)CSC1=NC(=O)[N-]N1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024999376	1	41	-2.0	-91.76	374.96	-4.18	-95.94
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CN([O-])C1=O	REAL300024999422	0	39	-2.0	-100.10	360.95	-0.97	-101.07
CSC1=NC=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024999441	0	41	-2.0	-86.94	387.10	-3.16	-90.10
CSC1=NC=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024999441	1	41	-2.0	-86.94	387.10	-3.16	-90.10
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)C(C)S1	REAL300024999465	0	38	-2.0	-95.47	367.33	-5.08	-100.55
CC1=C([O-])N=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024999465	1	38	-2.0	-95.47	367.33	-5.08	-100.55
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)C=C(Cl)N1	REAL300024999482	0	38	-2.0	-83.48	370.93	-1.91	-85.39
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300024999482	1	38	-2.0	-83.48	370.93	-1.91	-85.39
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300024999504	0	39	-2.0	-104.49	363.79	-1.14	-105.63
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300024999559	0	39	-2.0	-114.90	360.86	-0.14	-115.04
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=C([O-])N=C(N)S1	REAL300024999726	0	40	-2.0	-102.59	382.12	-6.17	-108.76
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=NC([O-])=CS1	REAL300024999783	0	38	-2.0	-104.30	367.30	-5.30	-109.60
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300024999895	0	35	-2.0	-88.29	358.35	-3.91	-92.20
COCC1=NC=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024999996	1	44	-2.0	-86.77	398.78	-4.43	-91.20
CC1=CC(=O)C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025000094	0	40	-2.0	-89.31	369.50	-1.42	-90.73
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC(=O)[N-]1	REAL300025000112	0	35	-2.0	-90.20	335.27	-6.67	-96.87
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300025000136	1	40	-2.0	-88.37	377.97	-2.17	-90.54
C[C@H](CNC(=O)C1=CC=C(F)C([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005272	1	39	-2.0	-96.86	363.99	-1.65	-98.51
C[C@H](CNC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005282	0	41	-2.0	-91.78	383.77	0.60	-91.18
C[C@H](CNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005285	0	41	-2.0	-88.56	383.78	0.60	-87.96
C[C@H](C[N-]C(=O)C(F)(F)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005287	1	34	-2.0	-80.28	342.50	-2.95	-83.23
C[C@H](CNC(=O)C1=CC=C(Cl)C=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005297	1	39	-2.0	-94.57	372.33	0.45	-94.12
C[C@H](CNC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005318	0	41	-2.0	-88.60	385.97	-1.06	-89.66
C[C@H](CNC(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005393	0	37	-2.0	-86.43	354.56	-7.52	-93.95
C[C@H](CNC(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005393	1	37	-2.0	-86.43	354.56	-7.52	-93.95
C[C@H](CNC(=O)C1=CC=C2N=NN([O-])C2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005426	0	41	-2.0	-97.98	379.98	-2.65	-100.63
C[C@H](CNC(=O)C1=C(Cl)C(=O)[N-]S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005466	0	35	-2.0	-88.91	358.35	-3.92	-92.83
C[C@H](CNC(=O)C1=CN=C(N)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005488	0	39	-2.0	-89.64	359.23	-4.35	-93.99
C[C@H](CNC(=O)C1=CN=C(N)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005488	1	39	-2.0	-89.64	359.23	-4.35	-93.99
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)[N-]C(=O)C(C#N)=C1	REAL300025005519	0	42	-2.0	-89.83	390.58	-2.55	-92.38
C[C@H](CNC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005599	0	40	-2.0	-90.08	377.97	-2.19	-92.27
C[C@H](CNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005599	1	40	-2.0	-90.08	377.97	-2.19	-92.27
C[C@H](CNC(=O)C1=CC=C2N[N-]N=C2C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005606	0	41	-2.0	-92.61	376.17	-1.73	-94.34
C[C@H](CNC(=O)C1=NC=CC(Cl)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005619	0	38	-2.0	-92.52	369.03	-1.26	-93.78
C[C@H](CNC(=O)CC1=CC=C(O)C(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005625	0	42	-2.0	-95.57	398.45	-0.47	-96.04
C[C@H](CNC(=O)CC1=CC=C([O-])C(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005625	1	42	-2.0	-95.57	398.45	-0.47	-96.04
C[C@H](CNC(=O)C1=CC=NC=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005676	0	38	-2.0	-94.88	350.89	-1.88	-96.76
C[C@H](CNC(=O)C1=CC=NC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005676	1	38	-2.0	-94.88	350.89	-1.88	-96.76
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005686	0	35	-2.0	-93.06	335.53	-4.74	-97.80
C[C@H](CNC(=O)C1=NC(=O)C(C)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005719	0	38	-2.0	-99.06	367.32	-5.09	-104.15
CC1=C([O-])N=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025005719	1	38	-2.0	-99.06	367.32	-5.09	-104.15
C[C@H](CNC(=O)C(=O)C1=CC=C(O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005835	0	41	-2.0	-89.53	378.38	-1.84	-91.37
C[C@H](CNC(=O)C(=O)C1=CC=C([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005835	1	41	-2.0	-89.53	378.38	-1.84	-91.37
C[C@H](CNC(=O)C1=CN=C(C=N[O-])S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005867	0	38	-2.0	-100.64	376.17	-3.64	-104.28
C[C@H](CNC(=O)C1=CC(=O)C=C(Cl)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005898	0	38	-2.0	-84.30	370.93	-1.93	-86.23
C[C@H](CNC(=O)C1=CC(=O)C=C(Cl)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005898	1	38	-2.0	-84.30	370.93	-1.93	-86.23
CSC1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025005923	0	41	-2.0	-90.50	387.17	-3.19	-93.69
CSC1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025005923	1	41	-2.0	-90.50	387.17	-3.19	-93.69
C[C@H](CNC(=O)C1=CC(=O)NC([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005930	0	39	-2.0	-88.58	363.89	-6.06	-94.64
CCN1[N-]C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025006004	0	42	-2.0	-90.23	385.33	-2.59	-92.82
C[C@H](CNC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006026	0	39	-2.0	-89.69	363.60	-3.52	-93.21
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006041	0	39	-2.0	-91.75	377.77	-5.38	-97.13
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=S)NC(=O)N1	REAL300025006043	0	41	-2.0	-101.59	392.10	-4.03	-105.62
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=S)[N-]C(=O)N1	REAL300025006043	1	41	-2.0	-101.59	392.10	-4.03	-105.62
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