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O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC([O-])=C1F	REAL250005028068	1	27	-2.0	-90.56	266.85	-0.60	-91.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([O-])=CS1	REAL250005028102	0	24	-2.0	-93.03	242.98	-1.60	-94.63
CN1[N-]C(C(=O)NCCC2=NC(=O)O[N-]2)=CC1=O	REAL250005028173	0	27	-2.0	-87.32	256.57	-2.36	-89.68
O=C(CCCC1=N[N-]N=N1)NCCC1=NC(=O)O[N-]1	REAL250005028567	0	30	-2.0	-94.63	275.87	-1.61	-96.24
O=C(CCCC1=NN=N[N-]1)NCCC1=NC(=O)O[N-]1	REAL250005028567	1	30	-2.0	-94.64	275.93	-1.59	-96.23
O=C(CCC1=N[N-]N=N1)NCCC1=NC(=O)O[N-]1	REAL250005028584	0	27	-2.0	-84.93	254.37	-2.39	-87.32
O=C(CCC1=NN=N[N-]1)NCCC1=NC(=O)O[N-]1	REAL250005028584	1	27	-2.0	-84.94	254.43	-2.38	-87.32
O=C(CCCN1C(=O)[N-]NC1=O)NCCC1=NC(=O)O[N-]1	REAL250005028797	0	33	-2.0	-93.27	301.95	-3.27	-96.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CC2)[N-]C1=O	REAL250005028930	1	32	-2.0	-86.75	289.97	-0.96	-87.71
O=C(CC1=CC=C([O-])C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL250005028943	1	30	-2.0	-98.73	291.42	0.68	-98.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([O-])C(F)=C1F	REAL250005029003	0	27	-2.0	-90.72	261.35	-0.38	-91.10
CSC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]1	REAL250005029006	1	29	-2.0	-85.92	280.13	-2.03	-87.95
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)[N-]C(=O)C(C#N)=C1	REAL250005029010	0	30	-2.0	-80.61	283.71	-1.40	-82.01
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=S)[N-]C(=O)N1	REAL250005029062	1	29	-2.0	-101.80	284.16	-2.96	-104.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([O-])=C1F	REAL250005029119	1	27	-2.0	-101.98	255.12	-0.47	-102.45
CC1=CC=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1[O-]	REAL250005029134	1	29	-2.0	-102.86	266.13	0.08	-102.78
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]N=CC1=O	REAL250005029209	0	25	-2.0	-78.80	237.98	-1.91	-80.71
CC1=CC(C=O)=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005029242	1	32	-2.0	-98.63	292.03	1.54	-97.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C([O-])=C1	REAL250005029328	1	27	-2.0	-87.16	256.96	-0.49	-87.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C([O-])=C1	REAL250005029330	0	27	-2.0	-84.12	266.76	-0.01	-84.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1[O-]	REAL250005029395	0	27	-2.0	-108.28	254.80	1.15	-107.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1[O-]	REAL250005029407	0	27	-2.0	-98.60	261.20	1.21	-97.39
COCC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]1	REAL250005029517	1	32	-2.0	-86.24	291.82	-3.31	-89.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C([O-])=C1F	REAL250005029597	0	27	-2.0	-101.09	261.31	-0.40	-101.49
CC1=CC([O-])=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029604	0	30	-2.0	-84.32	282.77	0.71	-83.61
N#CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]1	REAL250005029688	0	27	-2.0	-80.15	263.75	-2.04	-82.19
CN1C(=S)[N-]N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029864	1	26	-2.0	-81.56	257.23	0.07	-81.49
[N-]=[N+]=NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[O-]	REAL250005030172	0	29	-2.0	-85.93	278.46	-2.68	-88.61
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(N)=NO1	REAL250005030430	0	28	-2.0	-92.57	267.18	-3.54	-96.11
CC1=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(N)=NO1	REAL250005030430	1	28	-2.0	-92.57	267.18	-3.54	-96.11
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005030447	0	25	-2.0	-94.04	264.66	-2.42	-96.46
N#CC1=CC=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)O1	REAL250005030447	1	25	-2.0	-94.04	264.66	-2.42	-96.46
CC1=NSC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1	REAL250005030470	1	26	-2.0	-95.36	269.23	-2.66	-98.02
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=CS2)[N-]O1	REAL250005030473	1	24	-2.0	-104.48	259.01	-1.88	-106.36
O=C1N=C(CCNS(=O)(=O)C2=NC=C[N-]2)[N-]O1	REAL250005030483	0	24	-2.0	-91.36	241.04	-4.49	-95.85
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2[O-])[N-]O1	REAL250005030519	0	28	-2.0	-102.91	261.54	-1.95	-104.86
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=NS2)[N-]O1	REAL250005030546	1	23	-2.0	-94.93	247.47	-3.25	-98.18
CN1C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)N=N1	REAL250005030554	1	26	-2.0	-104.12	259.53	-4.63	-108.75
CN1N=NC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=N1	REAL250005030568	0	25	-2.0	-100.46	254.53	-5.40	-105.86
CC1=CSC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=N1	REAL250005030570	1	26	-2.0	-103.19	269.23	-3.41	-106.60
CN1N=NN=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL250005030573	1	25	-2.0	-89.63	250.11	-4.90	-94.53
O=C1N=C(CCNS(=O)(=O)C2=NC=C[N-]2)[N-]O1	REAL250005030589	0	24	-2.0	-91.36	241.04	-4.49	-95.85
CCN1N=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=N1	REAL250005030590	1	29	-2.0	-99.97	281.44	-4.09	-104.06
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(F)N=N2)[N-]O1	REAL250005030609	1	25	-2.0	-96.82	258.04	-3.98	-100.80
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Cl)O2)[N-]O1	REAL250005030627	1	24	-2.0	-95.69	260.48	-2.34	-98.03
O=C1N=C(CC[N-]S(=O)(=O)C2=NNC=N2)[N-]O1	REAL250005030639	0	23	-2.0	-106.39	237.54	-4.06	-110.45
N#CC1=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)OC=C1	REAL250005030644	1	25	-2.0	-102.34	262.58	-2.48	-104.82
O=C1N=C(CC[N-]S(=O)(=O)C2=NNN=C2)[N-]O1	REAL250005030651	1	23	-2.0	-95.24	236.57	-6.03	-101.27
CC1=CC=C([O-])C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005030669	1	31	-2.0	-103.85	282.86	-1.29	-105.14
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C=CC=C2F)[N-]O1	REAL250005030702	0	24	-2.0	-112.09	248.09	-1.48	-113.57
O=C1N=C(C[N-]S(=O)(=O)C2=CC(F)=CC=C2F)[N-]O1	REAL250005030709	1	24	-2.0	-103.90	251.50	-1.64	-105.54
CN1C=NC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1Cl	REAL250005030731	1	24	-2.0	-111.76	257.05	-2.20	-113.96
O=C1N=C(C[N-]S(=O)(=O)C2=CC=CC(F)=C2F)[N-]O1	REAL250005030751	1	24	-2.0	-107.96	251.38	-1.64	-109.60
O=C1N=C(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)[N-]O1	REAL250005030808	1	27	-2.0	-107.97	269.35	-1.37	-109.34
CC1=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(N)=NO1	REAL250005030867	1	25	-2.0	-95.81	247.12	-4.39	-100.20
N#CC1=CC=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)O1	REAL250005030885	1	22	-2.0	-96.31	243.51	-3.23	-99.54
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL250005030899	1	30	-2.0	-130.39	283.99	-4.16	-134.55
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=CS2)[N-]O1	REAL250005030903	1	21	-2.0	-101.84	247.57	-2.30	-104.14
O=C1N=C(C[N-]S(=O)(=O)C2=CNN=C2Cl)[N-]O1	REAL250005030906	1	21	-2.0	-100.84	237.88	-4.97	-105.81
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(F)N=C2F)[N-]O1	REAL250005030909	1	23	-2.0	-100.01	246.50	-3.65	-103.66
CC1=NSC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1	REAL250005030912	1	23	-2.0	-97.74	248.08	-3.47	-101.21
O=C1N=C(C[N-]S(=O)(=O)N=S2(=O)CCCC2)[N-]O1	REAL250005030915	1	28	-2.0	-131.29	270.74	-4.49	-135.78
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C=CS2)[N-]O1	REAL250005030917	1	21	-2.0	-103.82	237.87	-2.70	-106.52
CS(C)(=O)=NS(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL250005030918	1	24	-2.0	-129.16	244.94	-5.81	-134.97
CN(C)S(C)(=O)=NS(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL250005030962	1	29	-2.0	-120.65	280.17	-5.85	-126.50
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2[O-])[N-]O1	REAL250005030974	0	25	-2.0	-90.99	239.38	-2.49	-93.48
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])[N-]O1	REAL250005031004	0	25	-2.0	-85.15	245.78	-2.42	-87.57
COC1=NSC=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL250005031009	1	24	-2.0	-102.37	256.88	-5.89	-108.26
O=C1N=C(C[N-]S(=O)(=O)C2=CC=NS2)[N-]O1	REAL250005031013	1	20	-2.0	-97.17	226.32	-4.07	-101.24
COC1=NSC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1	REAL250005031015	1	24	-2.0	-95.03	258.83	-5.97	-101.00
CN1C=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)N=N1	REAL250005031031	1	23	-2.0	-106.67	238.38	-5.45	-112.12
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])[N-]O1	REAL250005031045	0	25	-2.0	-85.15	245.78	-2.42	-87.57
CN1N=NC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=N1	REAL250005031054	0	22	-2.0	-103.68	233.39	-6.21	-109.89
CC1=CSC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=N1	REAL250005031056	1	23	-2.0	-102.32	247.88	-4.19	-106.51
CN1N=NN=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL250005031060	1	22	-2.0	-93.24	227.92	-5.66	-98.90
CCN1N=CC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=N1	REAL250005031086	1	26	-2.0	-103.24	260.30	-4.90	-108.14
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(Cl)N=N2)[N-]O1	REAL250005031110	1	22	-2.0	-100.30	247.36	-4.32	-104.62
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(F)N=N2)[N-]O1	REAL250005031114	1	22	-2.0	-99.32	236.89	-4.79	-104.11
O=C1N=C(C[N-]S(=O)(=O)CC(F)(F)CC2CC2)[N-]O1	REAL250005031119	1	30	-2.0	-102.14	287.24	-0.74	-102.88
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(Cl)O2)[N-]O1	REAL250005031144	1	21	-2.0	-98.40	239.33	-3.16	-101.56
N#CC1=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)OC=C1	REAL250005031156	1	22	-2.0	-104.17	241.43	-3.29	-107.46
O=C1N=C(C[N-]S(=O)(=O)C2=NC=CC=C2Cl)[N-]O1	REAL250005031167	1	23	-2.0	-109.37	247.26	-2.99	-112.36
CC1=CC=C([O-])C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031197	1	28	-2.0	-91.98	260.79	-1.82	-93.80
O=C(NCC1=NC(=O)O[N-]1)C1=NC(=O)C2=CC=CC=C2[N-]1	REAL250005031211	0	28	-2.0	-93.38	266.97	-1.53	-94.91
CC1=CSC([N-]C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031221	1	24	-2.0	-87.65	238.62	-2.13	-89.78
CC1=C(C)OC([N-]C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005031222	1	27	-2.0	-95.82	251.37	-3.74	-99.56
O=C([N-]C1=NC2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL250005031223	1	27	-2.0	-95.80	266.24	0.14	-95.66
O=C([N-]C1=NC2=C(COCC2)S1)NCC1=NC(=O)O[N-]1	REAL250005031263	1	29	-2.0	-89.45	271.47	-2.52	-91.97
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC=CC=C2C=C1	REAL250005031398	1	30	-2.0	-98.71	271.33	2.94	-95.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1[O-]	REAL250005031422	1	24	-2.0	-89.63	243.13	1.12	-88.51
CCCC1=N[N-]C(=S)N1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005031486	1	32	-2.0	-91.88	302.35	2.31	-89.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL250005031492	0	26	-2.0	-86.78	254.55	0.76	-86.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1[O-]	REAL250005031517	1	24	-2.0	-89.74	243.12	1.12	-88.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([O-])C(Cl)=C1	REAL250005031518	0	24	-2.0	-80.51	244.54	-0.45	-80.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1[O-]	REAL250005031566	1	30	-2.0	-98.17	272.43	2.87	-95.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL250005031574	1	25	-2.0	-81.72	248.11	-2.24	-83.96
CC(=O)[N-]C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL250005031757	1	26	-2.0	-82.91	261.72	-2.99	-85.90
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C=CC=C1Cl	REAL250005031929	1	24	-2.0	-94.06	247.79	-0.69	-94.75
O=C(NCC1=NC(=O)O[N-]1)C1=N[N-]C2=CC=CC=C2C1=O	REAL250005032120	0	28	-2.0	-92.60	265.13	0.80	-91.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Cl)=C1[O-]	REAL250005032177	0	24	-2.0	-85.18	248.82	1.19	-83.99
CCN1[N-]C(C(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL250005032238	0	27	-2.0	-85.12	256.12	-1.91	-87.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1[O-]	REAL250005032290	1	24	-2.0	-89.32	232.81	0.66	-88.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C([O-])C(F)=C1	REAL250005032351	0	24	-2.0	-82.58	240.95	-0.87	-83.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL250005032449	0	26	-2.0	-93.54	252.41	1.85	-91.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL250005032457	0	26	-2.0	-80.21	256.77	-0.39	-80.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1[O-]	REAL250005032597	0	24	-2.0	-89.18	232.80	0.67	-88.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1[O-]	REAL250005032634	0	24	-2.0	-91.12	242.43	1.13	-89.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([O-])C(F)=C1	REAL250005032733	1	24	-2.0	-83.77	234.74	-0.94	-84.71
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC(Cl)=C1[O-]	REAL250005032740	0	23	-2.0	-91.29	239.83	-0.59	-91.88
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CC(=O)[N-]C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL250005035304	1	29	-2.0	-81.06	283.88	-2.51	-83.57
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CCN1[N-]C(C(=O)NCCC2=NC(=O)O[N-]2)=CC1=O	REAL250005035656	0	30	-2.0	-88.32	278.30	-1.43	-89.75
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O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([O-])C(F)=C1	REAL250005036063	1	27	-2.0	-87.19	256.92	-0.45	-87.64
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N#CC1=CC([O-])=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005036197	1	28	-2.0	-81.34	271.59	-0.18	-81.52
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O=C(CCCC1=N[N-]N=N1)NCCC1=NC(=O)O[N-]1	REAL250005036707	0	30	-2.0	-94.63	275.87	-1.61	-96.24
O=C(CCCC1=NN=N[N-]1)NCCC1=NC(=O)O[N-]1	REAL250005036707	1	30	-2.0	-94.64	275.93	-1.59	-96.23
O=C(CC1=CC=C([O-])C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL250005036948	1	30	-2.0	-98.73	291.42	0.68	-98.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1[O-]	REAL250005037241	0	27	-2.0	-108.28	254.80	1.15	-107.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1[O-]	REAL250005037253	0	27	-2.0	-98.60	261.20	1.21	-97.39
N#CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]1	REAL250005037421	0	27	-2.0	-80.15	263.75	-2.04	-82.19
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005037891	0	27	-2.0	-96.40	269.37	-0.52	-96.92
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