CC1(C2=CC=C(F)C=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348477	0	36	-1.0	-44.40	330.42	3.26	-41.14
CC(C)OC1=C(CNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2C=C1	REAL300024348478	0	45	-1.0	-46.56	384.05	3.87	-42.69
CCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C2=NC=CC=C12	REAL300024348479	0	38	-1.0	-46.19	337.94	1.59	-44.60
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CC1(C2=CC=CC=C2)NC(=O)N(NC(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024348481	0	38	-1.0	-50.44	348.34	-0.11	-50.55
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COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1OC(C)C	REAL300024348491	0	40	-1.0	-45.93	346.57	1.48	-44.45
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CCC1(CC)CN(C(=O)CSC2=NNC(=O)[N-]2)CCS1	REAL300024348494	0	39	-1.0	-41.59	316.38	3.48	-38.11
NC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024348495	0	33	-1.0	-49.94	313.63	-2.03	-51.97
CC(C1=NC=CS1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348496	0	40	-1.0	-44.99	347.32	0.02	-44.97
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COC(=O)C(CC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348498	0	31	-1.0	-46.38	294.66	-0.27	-46.65
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CC1CCCC2=CC=CC=C2C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348501	0	42	-1.0	-44.18	341.67	4.68	-39.50
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CN1C=C(NC(=O)CSC2=NNC(=O)[N-]2)C(C(F)(F)F)=N1	REAL300024348504	0	29	-1.0	-42.53	287.70	-0.44	-42.97
CN1C=CC(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=C(Cl)C=C2)=N1	REAL300024348505	0	39	-1.0	-47.15	368.70	3.06	-44.09
CCCN(CCC1=CC=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348506	0	38	-1.0	-43.47	345.24	4.54	-38.93
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CCOC1=CC(NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=NC=N1	REAL300024348509	0	46	-1.0	-46.49	388.45	1.19	-45.30
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COC1=CC=C2OCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024348511	0	38	-1.0	-48.69	328.09	-0.02	-48.71
CC(O)C1=CN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=N1	REAL300024348512	0	36	-1.0	-49.11	329.02	-3.07	-52.18
CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024348513	0	50	-1.0	-49.30	407.67	3.00	-46.30
O=C(CSC1=NNC(=O)[N-]1)NCC1=CN=C(N2CCOCC2)C(F)=C1	REAL300024348514	0	41	-1.0	-45.27	359.87	-0.88	-46.15
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300024348515	0	41	-1.0	-58.76	370.54	-0.65	-59.41
CC(C)OC(=O)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348516	0	37	-1.0	-46.45	333.10	1.02	-45.43
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOC1C1CC1	REAL300024348517	0	40	-1.0	-44.11	334.10	0.68	-43.43
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(O)C=C1	REAL300024348518	0	36	-1.0	-48.30	336.57	-0.95	-49.25
CN1C(NC(=O)CSC2=NNC(=O)[N-]2)=NC2=CC=CN=C21	REAL300024348519	0	31	-1.0	-52.19	291.62	3.09	-49.10
COC1=CC2=C(C=C1NC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC2	REAL300024348520	0	38	-1.0	-49.82	335.70	-0.67	-50.49
COC1=CC=C2C(=C1)CCCC2CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348521	0	43	-1.0	-45.54	359.93	2.50	-43.04
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(CN2C(=O)CCCC2=O)C=C1	REAL300024348522	0	42	-1.0	-51.01	368.79	2.47	-48.54
CC1=CC=CC=C1C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1C	REAL300024348523	0	45	-1.0	-44.12	382.44	6.16	-37.96
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C2CCCCC2=C1	REAL300024348524	0	42	-1.0	-43.39	354.18	4.17	-39.22
O=C(CSC1=NNC(=O)[N-]1)NCCCC1CCCCO1	REAL300024348525	0	39	-1.0	-44.07	331.55	0.53	-43.54
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C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C2CCCCC2=C1	REAL300024348529	0	42	-1.0	-43.39	354.18	4.18	-39.21
CC(C)C1CCC2=CC=CC=C2C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348530	0	45	-1.0	-45.13	357.77	5.21	-39.92
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COC1=CC=C2OCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024348532	0	38	-1.0	-48.74	328.11	-0.05	-48.79
CN(C)C1=NC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024348533	0	35	-1.0	-46.27	320.60	1.28	-44.99
COC(=O)COC1=CC=C(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348534	0	42	-1.0	-49.66	377.28	2.62	-47.04
CCC1=CC=C2OCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024348535	0	40	-1.0	-43.01	346.76	2.47	-40.54
COC1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348536	0	42	-1.0	-44.13	346.61	0.93	-43.20
CCC(C)(C)OCC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348537	0	45	-1.0	-43.21	370.97	3.55	-39.66
COC(=O)CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOC1	REAL300024348538	0	36	-1.0	-44.77	314.79	-1.01	-45.78
CN1C2=CC(F)=CC=C2N=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348539	0	32	-1.0	-50.00	303.28	3.96	-46.04
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCOC(C2=CC=C(F)C=C2)C1	REAL300024348540	0	43	-1.0	-45.28	356.20	3.86	-41.42
CC[NH+](CC)CCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348541	0	44	0.0	-64.44	361.58	0.71	-63.73
CC1=CSC(C(C)CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024348542	0	34	-1.0	-45.57	320.06	-0.01	-45.58
CC1CC(C2=CC=CN=C2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348543	0	38	-1.0	-47.48	330.81	3.13	-44.35
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(N2CCOCC2)N=C1	REAL300024348544	0	41	-1.0	-45.62	351.87	0.72	-44.90
CC1=NN=C(C(C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024348545	0	30	-1.0	-45.29	295.26	-1.54	-46.83
COC(=O)C(C)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348546	0	41	-1.0	-46.76	362.71	3.44	-43.32
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(Br)C=CC(F)=C2C1	REAL300024348547	0	33	-1.0	-43.04	313.90	3.73	-39.31
CCCCC(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024348548	0	46	-1.0	-46.73	387.11	3.40	-43.33
O=C(CSC1=NNC(=O)[N-]1)NC1CCOC(C2=CC=C(F)C=C2)C1	REAL300024348549	0	40	-1.0	-44.20	353.72	2.04	-42.16
N#CC1=CC=C(OC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024348550	0	35	-1.0	-47.27	331.73	2.33	-44.94
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024348551	0	39	-1.0	-43.15	317.10	4.98	-38.17
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(CCC2=CC=CC=C2)C1	REAL300024348552	0	43	-1.0	-43.75	366.29	3.99	-39.76
CC(C)(C)OC(=O)N1CC(C#N)C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348553	0	44	-1.0	-53.72	384.36	0.61	-53.11
CCCN(CC[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348554	0	46	0.0	-63.62	367.25	4.32	-59.30
C[NH+](C)CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024348555	0	44	0.0	-66.98	340.13	2.55	-64.43
COCC(=O)N1CCC2=C(NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C21	REAL300024348556	0	41	-1.0	-54.40	360.39	2.01	-52.39
COC1=CC=CC=C1C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024348557	0	43	-1.0	-44.67	362.28	2.73	-41.94
O=C(CSC1=NNC(=O)[N-]1)NNC1=NC2=CC=CC=C2N=C1	REAL300024348558	0	32	-1.0	-47.24	300.86	-0.35	-47.59
CC1=CC(Br)=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024348559	0	29	-1.0	-42.09	301.49	2.56	-39.53
CS(=O)CC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348560	0	34	-1.0	-55.29	318.02	0.34	-54.95
CC(C)(C)OC(=O)C(C)(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348561	0	41	-1.0	-45.79	352.74	-1.36	-47.15
CC1=CC(Br)=CN2C=C(CNC(=O)CSC3=NNC(=O)[N-]3)N=C12	REAL300024348562	0	35	-1.0	-46.66	343.65	2.54	-44.12
O=C(CSC1=NNC(=O)[N-]1)NCCS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300024348563	0	37	-1.0	-55.09	362.94	-0.71	-55.80
CN1CC[NH+](CC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024348564	0	53	0.0	-69.65	392.33	2.47	-67.18
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C2CCNC(=O)C2=C1	REAL300024348565	0	37	-1.0	-51.76	333.55	-0.69	-52.45
CC1=CN=C(C(C)CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024348566	0	34	-1.0	-46.44	320.99	0.24	-46.20
CCCN(CC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348567	0	43	-1.0	-47.00	362.95	4.07	-42.93
COC(=O)C1=CN(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N=N1	REAL300024348568	0	41	-1.0	-49.64	363.24	0.94	-48.70
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1CC1=CC=CC=C1	REAL300024348569	0	47	-1.0	-42.99	379.94	3.26	-39.73
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300024348569	1	48	0.0	-70.04	377.76	5.74	-64.30
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300024348569	1	48	0.0	-67.82	382.16	5.52	-62.30
COC(=O)C1=CN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=N1	REAL300024348570	0	35	-1.0	-50.25	332.62	-0.65	-50.90
CCOC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCO2	REAL300024348571	0	41	-1.0	-43.29	346.03	0.11	-43.18
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(Cl)=CC2=C1OCC2	REAL300024348572	0	34	-1.0	-44.75	326.45	1.20	-43.55
CC(O)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348573	0	37	-1.0	-43.83	305.48	-2.24	-46.07
O=C(CSC1=NNC(=O)[N-]1)NC1(CC2=CC=CC=C2)CCCC1	REAL300024348574	0	42	-1.0	-44.69	346.11	4.10	-40.59
CN1N=C(CNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024348575	0	35	-1.0	-46.31	323.90	0.75	-45.56
CCS(=O)(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348576	0	43	-1.0	-50.46	372.38	-1.43	-51.89
CC1=CC=CC=C1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348577	0	42	-1.0	-44.25	346.53	5.06	-39.19
CNC(=O)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348578	0	39	-1.0	-49.89	333.96	-1.30	-51.19
CSCC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348579	0	33	-1.0	-43.68	310.38	2.80	-40.88
CC1=CC=CC=C1C1C(=O)NCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348580	0	40	-1.0	-47.37	336.31	1.08	-46.29
CC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300024348581	0	32	-1.0	-42.76	309.42	1.95	-40.81
NC1=C2C(=NC=N1)SC1=C2CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348582	0	36	-1.0	-47.27	325.93	1.56	-45.71
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C2=CC=CC=C2)=NO1	REAL300024348583	0	34	-1.0	-45.40	324.85	-0.50	-45.90
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=NC=C1Cl	REAL300024348584	0	27	-1.0	-43.88	274.34	-0.89	-44.77
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Br)=CC=C1C(F)F	REAL300024348585	0	29	-1.0	-45.26	297.23	2.73	-42.53
O=C(CSC1=NNC(=O)[N-]1)N1CC=C(C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300024348586	0	37	-1.0	-43.52	357.23	5.57	-37.95
C[Si](C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024348587	0	38	-1.0	-47.23	344.11	5.40	-41.83
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(C2=CC=C(F)C=C2)CC1	REAL300024348588	0	42	-1.0	-45.44	355.51	4.47	-40.97
CC(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C=C1F	REAL300024348589	0	38	-1.0	-43.84	349.05	4.28	-39.56
CN1C=CC=C1C1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348590	0	38	-1.0	-44.42	314.30	1.92	-42.50
CN1C(CCNC(=O)CSC2=NNC(=O)[N-]2)=NN=C1C1=CC=CC=C1	REAL300024348591	0	41	-1.0	-54.79	365.35	3.13	-51.66
CCOC1COCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348592	0	37	-1.0	-44.14	321.65	-1.85	-45.99
COC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024348593	0	39	-1.0	-44.76	329.45	-0.43	-45.19
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=C(OC(F)F)C=C1)C(F)(F)F	REAL300024348594	0	36	-1.0	-46.44	345.20	1.57	-44.87
CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(N2CCCC2)=N1	REAL300024348595	0	43	-1.0	-44.78	369.34	1.57	-43.21
CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(N2CCCC2)=[NH+]1	REAL300024348595	1	44	0.0	-60.87	360.01	2.57	-58.30
COC(=O)C1CCCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348596	0	38	-1.0	-49.52	315.36	3.55	-45.97
CN(C)C(=O)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348597	0	42	-1.0	-48.21	345.36	1.88	-46.33
CCCNC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348598	0	37	-1.0	-43.99	322.36	1.40	-42.59
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1NCCC1=CC=CC=C1	REAL300024348599	0	44	-1.0	-45.00	382.27	4.40	-40.60
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1NCC1CCCCC1	REAL300024348600	0	47	-1.0	-43.87	383.81	4.03	-39.84
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC=C1NCC1CCCCC1	REAL300024348601	0	47	-1.0	-44.56	400.54	4.54	-40.02
CC1=C(I)C=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348602	0	29	-1.0	-42.02	289.59	2.55	-39.47
CC1=CC=C(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024348603	0	37	-1.0	-44.68	316.85	0.94	-43.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C1C=CC=C2C(F)(F)F	REAL300024348604	0	33	-1.0	-43.10	310.60	3.93	-39.17
CN1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024348605	0	38	-1.0	-45.10	319.02	0.62	-44.48
CN1N=C(C2CCCC2)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348607	0	39	-1.0	-45.44	332.68	2.49	-42.95
CC1=NN(C2=CC=CC=C2)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348608	0	36	-1.0	-46.77	326.85	2.52	-44.25
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCC[N@@H+](C2CCC2)C1	REAL300024348609	0	48	0.0	-67.74	378.58	3.80	-63.94
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCC[N@H+](C2CCC2)C1	REAL300024348609	1	48	0.0	-61.74	371.56	3.78	-57.96
CCC(NC(=O)CSC1=NNC(=O)[N-]1)(C(N)=O)C(C)C	REAL300024348610	0	38	-1.0	-49.18	310.61	-2.23	-51.41
CCOC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCOC1	REAL300024348611	0	42	-1.0	-44.14	355.83	0.79	-43.35
CN1C=NC(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)=N1	REAL300024348612	0	35	-1.0	-51.83	326.27	2.83	-49.00
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C(F)(F)F)=NO1	REAL300024348613	0	27	-1.0	-43.30	285.04	-3.27	-46.57
O=C(CSC1=NNC(=O)[N-]1)N1CCN(S(=O)(=O)C2=NNC=N2)CC1	REAL300024348614	0	37	-1.0	-53.24	340.94	-2.38	-55.62
COC1=CC=C2C(=C1)CC(C)N(C(=O)CSC1=NNC(=O)[N-]1)C2C	REAL300024348615	0	43	-1.0	-43.83	353.25	3.80	-40.03
CNC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024348616	0	34	-1.0	-47.52	302.72	-1.99	-49.51
C=CCC(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OCC	REAL300024348617	0	35	-1.0	-42.77	318.51	0.92	-41.85
CC(C)(CS(C)(=O)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348618	0	34	-1.0	-54.05	301.22	-2.77	-56.82
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(CCCO)=C1	REAL300024348619	0	36	-1.0	-46.34	323.96	-0.39	-46.73
O=C(CSC1=NNC(=O)[N-]1)NCCN1CCNC(=O)C1	REAL300024348620	0	35	-1.0	-50.76	303.49	-5.62	-56.38
CC1=CC2=C(C=C1NC(=O)CSC1=NNC(=O)[N-]1)OCO2	REAL300024348621	0	32	-1.0	-47.30	292.72	0.29	-47.01
CC(=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C(=O)OC(C)(C)C	REAL300024348622	0	50	-1.0	-49.77	412.13	1.76	-48.01
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC2=CC=CC=C21)C(F)(F)F	REAL300024348623	0	38	-1.0	-45.65	346.08	4.08	-41.57
CC(C)(C)OC(=O)NCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348624	0	45	-1.0	-47.99	383.55	-0.85	-48.84
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC2(C1)OCCO2	REAL300024348625	0	38	-1.0	-45.36	321.79	-0.60	-45.96
COC(=O)CN(CCC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348626	0	41	-1.0	-49.53	369.57	5.14	-44.39
COC(=O)CCN(CC(OC)OC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348627	0	42	-1.0	-49.91	360.42	0.98	-48.93
O=C(CSC1=NNC(=O)[N-]1)N(CC1=CC=CC=C1)CC(O)C(F)(F)F	REAL300024348628	0	39	-1.0	-46.07	357.53	2.11	-43.96
CC(CC1=CC=C(O)C(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348629	0	37	-1.0	-51.14	335.43	-2.30	-53.44
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1	REAL300024348630	0	36	-1.0	-43.51	336.03	2.60	-40.91
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C2=CC=C(F)C=C2)C1=O	REAL300024348631	0	34	-1.0	-52.37	323.85	0.55	-51.82
CC1=CC=CC(C(NC(=O)CSC2=NNC(=O)[N-]2)C(F)(F)F)=C1	REAL300024348632	0	35	-1.0	-43.82	327.40	2.67	-41.15
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1C1=NOC(C2=CC=CC=C2)=N1	REAL300024348633	0	42	-1.0	-49.33	368.49	0.31	-49.02
CC1=NN(C2=CC=CC=C2)C=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348634	0	39	-1.0	-46.93	354.10	2.62	-44.31
CCCC1CN(C(=O)OC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348635	0	52	-1.0	-44.11	409.14	3.72	-40.39
O=C(CSC1=NNC(=O)[N-]1)NCCCCC(=O)OCC1=CC=CC=C1	REAL300024348636	0	44	-1.0	-49.47	394.26	4.16	-45.31
N#CC1=C(F)C=CC=C1N1C=CC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024348637	0	34	-1.0	-55.32	328.70	3.35	-51.97
CC1=NOC(C2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024348638	0	40	-1.0	-45.82	336.99	0.33	-45.49
O=C(CSC1=NNC(=O)[N-]1)NN1CC2=CC=CC=C2C1=O	REAL300024348639	0	31	-1.0	-54.96	296.60	0.69	-54.27
COCCN1N=CC2=C1C(NC(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300024348640	0	43	-1.0	-44.56	368.00	0.87	-43.69
CC(C)(C)C1=CC=C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300024348641	0	45	-1.0	-43.77	366.57	5.51	-38.26
O=C(CSC1=NNC(=O)[N-]1)NC1=NN(C2CCCCC2)C=N1	REAL300024348642	0	38	-1.0	-48.51	329.32	4.95	-43.56
CC(C)(O)C[N@@H+]1CCC2=C(C=CC=C2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348643	0	49	0.0	-73.97	390.27	2.52	-71.45
CC(C)(O)C[N@H+]1CCC2=C(C=CC=C2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348643	1	49	0.0	-70.22	389.45	2.48	-67.74
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(CN2CCOCC2)C(Cl)=C1	REAL300024348644	0	42	-1.0	-46.43	373.13	0.33	-46.10
N#CC1=CC(F)=CC=C1N1C=CC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024348645	0	34	-1.0	-51.21	329.20	3.39	-47.82
CC(C)C1=NC(C2COCCN2C(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024348646	0	41	-1.0	-47.83	351.32	-1.40	-49.23
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1C1CCCC1=O	REAL300024348647	0	39	-1.0	-48.95	314.31	1.82	-47.13
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C1)N=CN2C1=CC=C(F)C=C1	REAL300024348648	0	40	-1.0	-47.05	354.16	5.64	-41.41
CN1C=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(C2=CC=CC=C2)=N1	REAL300024348649	0	39	-1.0	-47.71	350.48	2.91	-44.80
O=C(CSC1=NNC(=O)[N-]1)NC1=NC=C(C2CCCCC2)S1	REAL300024348650	0	38	-1.0	-46.64	339.76	3.42	-43.22
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C2=CC=CC(C#N)=C2)C=C1	REAL300024348651	0	43	-1.0	-47.76	386.48	5.48	-42.28
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(N2C=CC(C(F)(F)F)=N2)C1	REAL300024348652	0	39	-1.0	-48.15	352.18	2.65	-45.50
CCCCCN(CCCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348653	0	44	-1.0	-45.33	371.76	3.06	-42.27
CC1CCC(C(F)(F)F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348654	0	35	-1.0	-43.33	305.18	2.54	-40.79
COC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024348655	0	41	-1.0	-44.07	337.93	1.92	-42.15
CN1C=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(C2=CC=C(C#N)C=C2)=N1	REAL300024348656	0	40	-1.0	-49.44	371.28	3.30	-46.14
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300024348657	0	46	0.0	-64.28	383.35	0.81	-63.47
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300024348657	1	46	0.0	-61.22	379.58	1.41	-59.81
O=C(CSC1=NNC(=O)[N-]1)NC(CCO)C1=CC=CC=C1Br	REAL300024348658	0	36	-1.0	-44.92	332.95	-0.54	-45.46
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=CC=CC=C2C(F)(F)F)C1	REAL300024348659	0	40	-1.0	-47.09	349.75	3.14	-43.95
CC(C)OC1=C(F)C=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024348660	0	36	-1.0	-44.97	332.56	1.87	-43.10
COCCC(CC1=CC=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348661	0	39	-1.0	-46.89	343.77	0.36	-46.53
CCOC(=O)C1=CC=C(N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)N=C1	REAL300024348662	0	43	-1.0	-45.89	384.97	0.42	-45.47
CC(=O)NC1=CNN=C1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348663	0	43	-1.0	-48.35	366.16	-0.17	-48.52
CC(=O)NC1CCC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348664	0	42	-1.0	-48.85	349.86	0.70	-48.15
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCCCC1	REAL300024348665	0	44	0.0	-64.29	344.88	2.11	-62.18
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC2(CCOCC2)C1	REAL300024348666	0	41	-1.0	-44.91	317.13	0.06	-44.85
COC(=O)COC1=CC=C(N(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348667	0	39	-1.0	-50.71	355.91	3.41	-47.30
O=C(CSC1=NNC(=O)[N-]1)NCCCC1=NC(C2=CC=C(F)C=C2)=NO1	REAL300024348668	0	40	-1.0	-47.70	374.25	1.10	-46.60
CC1COC2=CC=CC=C2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348669	0	37	-1.0	-42.64	313.01	2.78	-39.86
CC1=NOC(=O)C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C12	REAL300024348670	0	33	-1.0	-46.45	309.31	2.13	-44.32
CCC1=NC2=CC=CC=C2C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348671	0	37	-1.0	-45.46	328.82	2.71	-42.75
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C2=CC=CC=C2)C1=O	REAL300024348672	0	34	-1.0	-53.33	316.38	0.41	-52.92
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1C[N@H+]1CCCC1CO	REAL300024348673	0	49	0.0	-59.75	398.97	1.58	-58.17
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1C[N@@H+]1CCCC1CO	REAL300024348673	1	49	0.0	-57.15	388.50	2.10	-55.05
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2CCCCCCC2)C(F)=C1	REAL300024348674	0	47	-1.0	-46.70	369.54	3.87	-42.83
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=C(F)C=CC=C2Cl)CC1	REAL300024348675	0	41	-1.0	-44.31	362.36	2.61	-41.70
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1N1N=NN=C1C(C)C	REAL300024348676	0	43	-1.0	-46.08	376.91	2.62	-43.46
CC(=O)NC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024348677	0	32	-1.0	-51.74	300.09	-0.68	-52.42
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(I)C=C1O	REAL300024348678	0	27	-1.0	-42.31	285.99	-0.91	-43.22
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1	REAL300024348679	0	49	0.0	-64.98	361.81	5.52	-59.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1	REAL300024348679	1	49	0.0	-64.88	372.58	6.28	-58.60
CC(=O)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348680	0	35	-1.0	-42.17	297.99	-0.15	-42.32
CCCC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1=CC=CC=C1	REAL300024348681	0	42	-1.0	-48.04	366.74	3.83	-44.21
CC(C)(C)OC(=O)CCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348682	0	46	-1.0	-46.64	388.91	2.99	-43.65
CC1=CC=CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024348683	0	39	-1.0	-44.25	336.04	4.37	-39.88
CCN(CC)C(=O)CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348684	0	51	-1.0	-50.86	409.91	4.50	-46.36
CC[NH+](CC)CCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348685	0	53	0.0	-68.42	405.91	5.75	-62.67
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300024348686	0	39	-1.0	-45.32	353.37	4.69	-40.63
N#CC1=CC=C(N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2=O)C=C1	REAL300024348687	0	41	-1.0	-55.42	372.56	2.61	-52.81
CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C1=NN=NN1C1CC1	REAL300024348688	0	41	-1.0	-46.49	369.03	2.30	-44.19
CC(C)N1CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024348689	0	40	-1.0	-47.82	348.91	0.69	-47.13
CC(C)[N@@H+]1CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024348689	1	41	0.0	-70.92	351.62	2.90	-68.02
CC(C)[N@H+]1CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024348689	1	41	0.0	-70.95	351.63	2.89	-68.06
O=C(CSC1=NNC(=O)[N-]1)NC1COC2=CC(F)=CC(F)=C21	REAL300024348690	0	31	-1.0	-42.45	300.53	0.18	-42.27
N#CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024348691	0	33	-1.0	-51.64	306.62	2.02	-49.62
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CCC1=CC=CC=C1	REAL300024348692	0	39	-1.0	-44.89	348.67	-0.10	-44.99
CSC1=C(F)C=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024348693	0	30	-1.0	-44.39	303.90	1.93	-42.46
CSCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348694	0	38	-1.0	-44.80	344.76	2.18	-42.62
N#CC1=CC=C(NNC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024348695	0	29	-1.0	-45.65	300.93	1.17	-44.48
CSC(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024348696	0	38	-1.0	-42.63	321.31	2.09	-40.54
O=C(CSC1=NNC(=O)[N-]1)NC1COC2=CC=CC(F)=C21	REAL300024348697	0	31	-1.0	-44.82	294.12	0.11	-44.71
CN1C=C(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2)C=N1	REAL300024348698	0	39	-1.0	-47.79	354.33	2.65	-45.14
CC1=CC=NN1C1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348699	0	36	-1.0	-47.31	325.68	2.82	-44.49
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC(Cl)=C2O1	REAL300024348700	0	37	-1.0	-42.36	333.92	3.67	-38.69
COC1CC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C1	REAL300024348701	0	37	-1.0	-44.37	326.81	1.65	-42.72
COCCOC1=CC=C(C#N)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348702	0	38	-1.0	-50.01	352.97	0.75	-49.26
CC1CC(CCNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024348703	0	39	-1.0	-44.20	328.56	0.16	-44.04
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NC1=NC(Cl)=CC(NNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024348705	0	28	-1.0	-43.03	289.12	-0.74	-43.77
CN1C=NC(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)=N1	REAL300024348706	0	35	-1.0	-54.71	326.32	2.83	-51.88
COC(=O)C1=NOC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024348707	0	40	-1.0	-46.46	350.84	1.17	-45.29
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=NOC=N2)C1	REAL300024348708	0	32	-1.0	-48.98	293.57	-3.02	-52.00
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC(F)(F)CC1	REAL300024348709	0	35	-1.0	-43.97	296.86	1.55	-42.42
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300024348710	0	40	-1.0	-43.73	361.65	3.45	-40.28
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=C2CCCCC2=C1	REAL300024348711	0	35	-1.0	-44.36	305.96	1.42	-42.94
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=C(C(F)(F)F)C=C2)CCCC1	REAL300024348712	0	42	-1.0	-45.12	364.98	4.32	-40.80
CC[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CCC(F)(F)F	REAL300024348713	0	40	0.0	-74.38	342.86	1.32	-73.06
CC[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CCC(F)(F)F	REAL300024348713	1	40	0.0	-75.00	347.32	1.61	-73.39
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)CCC(F)(F)F	REAL300024348713	1	39	-1.0	-44.19	341.07	-0.85	-45.04
CC(C)OC1=CC(O)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348714	0	37	-1.0	-45.16	328.29	-1.12	-46.28
COCCNC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348715	0	38	-1.0	-45.67	334.46	-0.28	-45.95
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1NCCCC1=CC=CC=C1	REAL300024348716	0	47	-1.0	-45.67	403.76	5.19	-40.48
CCNC1=CC(C)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348717	0	37	-1.0	-44.58	320.42	1.30	-43.28
O=C(CSC1=NNC(=O)[N-]1)NC1=NC=CN1C1=CC=CC=C1	REAL300024348718	0	33	-1.0	-49.48	308.37	5.22	-44.26
CCOC(COCCNC(=O)CSC1=NNC(=O)[N-]1)OCC	REAL300024348719	0	43	-1.0	-48.53	373.38	-0.64	-49.17
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
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OCC2=CC=NC=C2)C1	REAL300024348721	0	39	-1.0	-46.55	348.09	1.51	-45.04
COC1=CC=C2NC(NC(=O)CSC3=NNC(=O)[N-]3)=CC2=C1	REAL300024348722	0	34	-1.0	-48.68	308.23	0.96	-47.72
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(N2C=CC=C2)=C1	REAL300024348723	0	34	-1.0	-44.51	309.02	3.51	-41.00
CN1C=C(C2CS(=O)CCN2C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024348724	0	38	-1.0	-60.62	335.42	-0.73	-61.35
CC1C[N@H+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024348725	0	45	0.0	-71.06	359.76	1.31	-69.75
CC1C[N@@H+](CCCNC(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024348725	1	45	0.0	-69.96	360.65	0.87	-69.09
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC(Cl)=CC=C2C1	REAL300024348726	0	33	-1.0	-43.38	307.05	3.69	-39.69
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC(Br)=CC=C2C1	REAL300024348727	0	33	-1.0	-43.30	311.62	3.79	-39.51
CC(C)(C)S(=O)(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348728	0	46	-1.0	-49.53	386.71	-0.90	-50.43
CCC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1CCC(C)C	REAL300024348729	0	44	-1.0	-46.97	372.95	2.66	-44.31
CCCOC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1	REAL300024348730	0	42	-1.0	-43.59	363.91	2.66	-40.93
CN(CCCNC(=O)C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348731	0	42	-1.0	-49.13	361.46	1.19	-47.94
O=C(CSC1=NNC(=O)[N-]1)NCC1(CO)CC1C1=CC=C(F)C=C1	REAL300024348732	0	40	-1.0	-49.28	352.98	0.31	-48.97
CC1=CC=C(N2N=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2C(C)C)C=C1	REAL300024348733	0	45	-1.0	-47.56	378.61	4.50	-43.06
COC(=O)C1=C(C2CC2)SC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024348734	0	35	-1.0	-51.02	337.90	2.10	-48.92
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)N1CCN(C2=NC(F)=C(F)C=C2F)CC1	REAL300024348735	0	37	-1.0	-44.40	334.81	1.46	-42.94
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCS1(=O)=O	REAL300024348736	0	35	-1.0	-59.37	298.81	-0.90	-60.27
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=CC(F)=C2F)CCCC1	REAL300024348737	0	42	-1.0	-42.95	354.52	4.58	-38.37
O=C(CSC1=NNC(=O)[N-]1)NCC1CSCCN1CC1=CC=CC=C1	REAL300024348738	0	45	-1.0	-43.47	382.86	2.83	-40.64
O=C(CSC1=NNC(=O)[N-]1)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300024348738	1	46	0.0	-72.25	380.55	3.93	-68.32
O=C(CSC1=NNC(=O)[N-]1)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300024348738	1	46	0.0	-69.58	382.60	4.82	-64.76
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)OC1=CC=C(Cl)C=C1	REAL300024348739	0	36	-1.0	-44.35	338.50	1.55	-42.80
CC1=NOC(CC(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2)=N1	REAL300024348740	0	40	-1.0	-49.15	366.00	1.36	-47.79
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2)C2=CC=CC=C21	REAL300024348741	0	37	-1.0	-43.64	315.22	4.47	-39.17
O=C(CSC1=NNC(=O)[N-]1)N(CC1=C(F)C=CC=C1F)C1CC1	REAL300024348742	0	36	-1.0	-45.39	317.26	4.21	-41.18
CCCN1C=CN=C1CCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348743	0	44	-1.0	-47.22	372.98	4.35	-42.87
CC(C)NS(=O)(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348744	0	38	-1.0	-50.41	347.11	-5.89	-56.30
CC1=CC=CC2=C1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024348745	0	36	-1.0	-44.01	307.62	3.70	-40.31
CCOC(=O)C1=CSC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024348746	0	44	-1.0	-47.52	394.27	3.17	-44.35
COCCS(=O)(=O)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348747	0	42	-1.0	-50.35	389.78	-1.65	-52.00
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C(CC)C(=O)OCC	REAL300024348748	0	43	-1.0	-43.87	355.53	3.86	-40.01
CCOC1=CC(O)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348749	0	34	-1.0	-44.95	308.75	-1.78	-46.73
CC1=CC=CC(COC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)=C1	REAL300024348750	0	46	-1.0	-45.23	406.63	4.80	-40.43
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCS1=O	REAL300024348751	0	34	-1.0	-48.05	298.39	-0.22	-48.27
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCCC2)C2=CC=CC(F)=C21	REAL300024348752	0	40	-1.0	-48.37	337.22	5.25	-43.12
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=CC=C1C1=CC=CC=C1	REAL300024348753	0	35	-1.0	-45.19	319.24	2.88	-42.31
CCOC(=O)C1=C(N)N(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=N1	REAL300024348754	0	47	-1.0	-51.46	400.03	3.64	-47.82
CC(C)CCOC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348755	0	45	-1.0	-44.66	384.81	3.22	-41.44
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=C2OCCC2=C1	REAL300024348756	0	37	-1.0	-46.92	331.34	1.46	-45.46
NC(=O)C1=CC=CC(CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348757	0	36	-1.0	-52.20	330.00	-1.61	-53.81
CC1CCS(=O)(=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348758	0	35	-1.0	-47.58	299.73	-1.15	-48.73
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)NC1=NN=C(C2CCCC3=CC=CC=C32)S1	REAL300024348759	1	41	-1.0	-51.36	371.20	4.08	-47.28
CC1=CC2=NNC=C2C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348760	0	32	-1.0	-47.91	292.53	0.37	-47.54
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C2C=NNC2=C1	REAL300024348760	1	32	-1.0	-46.24	292.13	0.28	-45.96
CS(=O)(=O)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024348761	0	32	-1.0	-51.25	327.03	-2.48	-53.73
CC1=C([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)OC2=CC=CC=C21	REAL300024348762	0	38	-1.0	-44.60	341.69	2.78	-41.82
COC(=O)CC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024348763	0	34	-1.0	-56.30	319.72	1.94	-54.36
O=C(CSC1=NNC(=O)[N-]1)NC1CC(=O)N(C2=CC=CC=C2)C1	REAL300024348764	0	37	-1.0	-49.76	328.83	1.31	-48.45
COC(=O)C(C)N(C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024348765	0	38	-1.0	-44.27	309.85	2.00	-42.27
O=C(CSC1=NNC(=O)[N-]1)N1CCC(N2CCCC2=O)C1	REAL300024348766	0	37	-1.0	-50.64	317.42	1.05	-49.59
CNC(=O)C(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348767	0	39	-1.0	-51.96	350.59	0.36	-51.60
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C1)N=CNC2=O	REAL300024348768	0	32	-1.0	-51.35	288.97	-0.03	-51.38
O=C(CSC1=NNC(=O)[N-]1)N1CCN(S(=O)(=O)C2=NNC=C2)CC1	REAL300024348769	0	38	-1.0	-51.95	346.02	-3.05	-55.00
CN(CC1=CC=C(Br)C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348770	0	32	-1.0	-44.06	318.14	3.66	-40.40
CN(CC1=CC(Br)=CC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348771	0	32	-1.0	-44.25	324.50	4.69	-39.56
COC1=CC=C2CCCC2=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348772	0	37	-1.0	-47.08	327.13	2.06	-45.02
CCC1=CC=C(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)C=C1	REAL300024348773	0	43	-1.0	-43.79	365.83	3.88	-39.91
O=C(CSC1=NNC(=O)[N-]1)NNC1=NN2C=CC=CC2=N1	REAL300024348774	0	30	-1.0	-51.08	289.97	2.42	-48.66
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2CC3CCC2C3)C=C1	REAL300024348775	0	42	-1.0	-44.12	338.66	1.98	-42.14
CCCC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300024348776	0	42	-1.0	-46.35	373.08	3.90	-42.45
CCCC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1=CC=CC=C1C	REAL300024348777	0	45	-1.0	-47.38	385.12	4.78	-42.60
CCCC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300024348778	0	45	-1.0	-47.70	388.09	4.51	-43.19
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348779	0	42	-1.0	-45.41	360.36	-1.28	-46.69
CC(C)OC1=CC=C(N(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348780	0	39	-1.0	-44.83	339.45	3.35	-41.48
O=C(CSC1=NNC(=O)[N-]1)NCCC(O)C1=CC=C(Cl)C(Cl)=C1	REAL300024348781	0	36	-1.0	-46.99	356.16	0.23	-46.76
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=NC=C2)CC1	REAL300024348782	0	38	-1.0	-45.81	324.42	2.76	-43.05
CC1=CN=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300024348783	0	38	-1.0	-46.84	339.12	2.53	-44.31
CS(=O)(=O)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024348784	0	35	-1.0	-49.49	344.46	-1.23	-50.72
COC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1O	REAL300024348785	0	33	-1.0	-46.76	311.30	-0.56	-47.32
O=C(CSC1=NNC(=O)[N-]1)N1CCN2C(Br)=CN=C2C1	REAL300024348786	0	30	-1.0	-44.51	292.28	1.48	-43.03
CC(C)(C)OC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300024348787	0	44	-1.0	-50.30	381.85	-3.83	-54.13
CCCN1C2=CC=CC=C2N(CC)C1=NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348788	0	44	-1.0	-48.47	373.65	6.58	-41.89
CC(C)N1N=CC2=C1CC(NC(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024348789	0	42	-1.0	-47.03	358.61	1.86	-45.17
O=C(CSC1=NNC(=O)[N-]1)NC1CC2=CC=CC(O)=C2C1	REAL300024348790	0	34	-1.0	-45.16	307.86	-0.71	-45.87
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCS(=O)(=O)C1	REAL300024348791	0	35	-1.0	-59.50	299.68	-1.10	-60.60
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348792	0	48	0.0	-75.77	398.51	4.50	-71.27
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)OC1=CC=C(Cl)C(Cl)=C1	REAL300024348793	0	39	-1.0	-43.47	369.55	4.23	-39.24
CN(CCOC1=CC=C(C(F)(F)F)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348794	0	39	-1.0	-44.62	359.63	3.63	-40.99
CC(C)(C)OC(=O)N1CCCC2(CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348795	0	50	-1.0	-54.36	398.40	4.08	-50.28
CNC(=O)CN(C)C1=NC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C2N1	REAL300024348796	0	44	-1.0	-60.20	390.88	1.30	-58.90
CNC(=O)CN(C)C1=NC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2N1	REAL300024348796	1	44	-1.0	-57.22	390.61	1.30	-55.92
CC(=O)N1CCN(C2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024348797	0	48	-1.0	-49.90	402.36	0.99	-48.91
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OC2=CC=C(F)N=C2)CC1	REAL300024348798	0	39	-1.0	-47.65	339.50	1.64	-46.01
CN(CC1=CC=C(F)C(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348799	0	32	-1.0	-44.25	313.73	3.55	-40.70
CC(C)(C)OC1CC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348800	0	45	-1.0	-44.24	374.40	1.79	-42.45
COC(=O)[C@]1(C)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348801	0	35	-1.0	-45.65	303.77	2.38	-43.27
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C2=CC=CN=N2)CC1	REAL300024348802	0	39	-1.0	-48.99	337.43	-0.35	-49.34
CC(C)C(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Br)C=C1	REAL300024348803	0	41	-1.0	-44.48	352.29	3.85	-40.63
CN(CC1=C2C=CNC2=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348804	0	36	-1.0	-47.54	316.47	2.77	-44.77
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(C2CCC2)C=C1	REAL300024348805	0	39	-1.0	-42.78	339.70	3.44	-39.34
CC(=CC1=CC=CC=C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348806	0	39	-1.0	-45.00	336.00	4.74	-40.26
COC1=CC=CC(Cl)=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348807	0	33	-1.0	-45.85	316.16	0.61	-45.24
O=C(CSC1=NNC(=O)[N-]1)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300024348808	0	49	0.0	-70.57	395.58	3.12	-67.45
O=C(CSC1=NNC(=O)[N-]1)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300024348808	1	49	0.0	-70.77	396.34	3.04	-67.73
O=C(CSC1=NNC(=O)[N-]1)NCCC1CC2=CC=CC=C2C1	REAL300024348809	0	39	-1.0	-45.11	338.94	3.41	-41.70
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)S1=O	REAL300024348810	0	34	-1.0	-48.35	299.39	-0.11	-48.46
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(CC2=NN=C3CCCN23)C=C1	REAL300024348811	0	42	-1.0	-52.48	371.27	4.63	-47.85
O=C(CSC1=NNC(=O)[N-]1)NCC1(CC2=CC=C(F)C=C2)CCCC1O	REAL300024348812	0	46	-1.0	-49.04	381.38	1.86	-47.18
O=C(CSC1=NNC(=O)[N-]1)NC1=NC=C(C2=CC=C(F)C=C2)S1	REAL300024348813	0	32	-1.0	-47.55	318.72	3.06	-44.49
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
COC(=O)C(CC1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348814	0	44	-1.0	-47.15	369.58	3.03	-44.12
O=C(CSC1=NNC(=O)[N-]1)N(CCC(F)(F)F)CC1=CC=CC=C1	REAL300024348815	0	38	-1.0	-45.60	350.73	5.05	-40.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)OC(C)(C)C)CC1	REAL300024348816	0	52	-1.0	-45.88	409.60	4.30	-41.58
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=CC(Cl)=C2F)CCCC1	REAL300024348817	0	42	-1.0	-42.30	364.42	5.03	-37.27
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC2(CCCCC2)O1	REAL300024348818	0	43	-1.0	-44.16	352.44	1.57	-42.59
COC1=CC=C(Br)C(CN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348819	0	36	-1.0	-45.88	336.59	3.44	-42.44
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCS(=O)C1	REAL300024348820	0	34	-1.0	-59.95	291.02	0.03	-59.92
CC(C)OCC(CO)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348821	0	39	-1.0	-43.34	326.26	-0.15	-43.49
CC1=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=CC=C1[N+](=O)[O-]	REAL300024348822	0	34	-1.0	-47.19	313.76	2.14	-45.05
CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348823	0	41	-1.0	-50.19	344.46	3.66	-46.53
C=CCN(C(=O)CSC1=NNC(=O)[N-]1)C(CC1=CC=CC=C1)C(=O)OCC	REAL300024348824	0	48	-1.0	-45.51	408.67	6.80	-38.71
CN(CC1(C2=CC=CC=C2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348825	0	39	-1.0	-43.11	335.84	4.76	-38.35
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)OC(C)(C)C	REAL300024348826	0	46	-1.0	-44.54	372.91	2.71	-41.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(CC(F)(F)F)CC1	REAL300024348827	0	40	-1.0	-45.36	347.94	0.03	-45.33
CNC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348828	0	35	-1.0	-48.58	301.22	-1.15	-49.73
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC2=CC=CC=C2O1	REAL300024348829	0	35	-1.0	-44.46	321.82	2.18	-42.28
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=NN1C	REAL300024348830	0	41	-1.0	-46.10	344.34	0.85	-45.25
COC1=CC=CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024348831	0	43	-1.0	-45.09	358.55	3.79	-41.30
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(C(F)F)=C1	REAL300024348832	0	32	-1.0	-44.66	306.13	1.71	-42.95
CN(CC1(O)CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348833	0	37	-1.0	-44.34	302.90	-2.03	-46.37
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(OCCO)C1	REAL300024348834	0	37	-1.0	-46.46	317.67	-2.12	-48.58
CC1=CC=C(CC(CO)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348835	0	39	-1.0	-45.10	345.34	0.05	-45.05
O=C(CSC1=NNC(=O)[N-]1)N[C@H](CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1	REAL300024348836	0	46	-1.0	-48.97	398.81	3.52	-45.45
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Br)C(O)=C1	REAL300024348837	0	27	-1.0	-44.05	279.56	-1.46	-45.51
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
CC1=CC=CC(CC(CO)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348839	0	39	-1.0	-45.03	345.29	0.04	-44.99
COC(=O)C1C(O)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348840	0	36	-1.0	-53.36	308.62	0.08	-53.28
O=C(CSC1=NNC(=O)[N-]1)NC1CCOC2=CC=C(F)C=C21	REAL300024348841	0	34	-1.0	-47.47	305.00	0.73	-46.74
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OC2COC2)C=C1	REAL300024348842	0	35	-1.0	-45.81	316.10	-0.51	-46.32
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2CC3CCC(C2)O3)C=C1	REAL300024348843	0	43	-1.0	-45.07	353.86	1.15	-43.92
COC1=CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(OC)=C1	REAL300024348844	0	37	-1.0	-47.65	329.00	1.11	-46.54
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2(CCCCC2)CC1	REAL300024348845	0	45	-1.0	-43.14	344.85	3.01	-40.13
CC1(C)C(C(F)(F)F)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348846	0	35	-1.0	-44.29	300.73	2.22	-42.07
CN1C=C(C2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024348847	0	39	-1.0	-47.98	326.45	2.11	-45.87
O=C(CSC1=NNC(=O)[N-]1)N1CC(OC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300024348848	0	36	-1.0	-48.17	339.10	2.60	-45.57
CCC1(CC)CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348849	0	44	-1.0	-42.47	322.68	3.65	-38.82
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024348850	0	43	-1.0	-42.80	341.57	2.09	-40.71
CN1C=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=C(Cl)C=C21	REAL300024348851	0	39	-1.0	-47.73	366.51	3.91	-43.82
CN(C)C(=O)CN1N=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN2C1=O	REAL300024348852	0	43	-1.0	-55.41	376.39	0.88	-54.53
CC1=CC(C(F)(F)F)=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348853	0	35	-1.0	-43.03	329.82	2.64	-40.39
CC1CS(=O)(=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348854	0	32	-1.0	-48.36	284.97	-2.23	-50.59
O=C(CSC1=NNC(=O)[N-]1)NCC1=C2NC=CC2=CC=C1	REAL300024348855	0	33	-1.0	-44.44	305.31	0.85	-43.59
COCCC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348856	0	36	-1.0	-44.07	320.21	1.46	-42.61
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C2CCCCC2)C1=O	REAL300024348857	0	46	-1.0	-53.40	367.61	2.11	-51.29
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OC(F)(F)F)C=C1O	REAL300024348858	0	31	-1.0	-43.04	304.20	-2.22	-45.26
O=C(CSC1=NNC(=O)[N-]1)NCC1=C(F)C=C(Br)C=C1F	REAL300024348859	0	29	-1.0	-42.84	305.86	1.52	-41.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CCCCC2)CC1	REAL300024348860	0	45	-1.0	-42.66	333.31	3.83	-38.83
COCCOCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348861	0	43	-1.0	-45.71	374.47	-0.28	-45.99
COC(=O)C1=CC=C(C(C)C)C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348862	0	41	-1.0	-50.92	359.84	3.52	-47.40
CC1=CC=CC=C1CC(CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348863	0	39	-1.0	-45.11	340.65	-0.23	-45.34
COC(CCNC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024348864	0	32	-1.0	-44.90	303.94	-1.26	-46.16
CCCCOC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024348865	0	42	-1.0	-44.53	384.33	3.21	-41.32
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC2=CC=CC=C2O1	REAL300024348866	0	35	-1.0	-44.48	321.83	2.18	-42.30
CN1C=CC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C21	REAL300024348867	0	33	-1.0	-46.20	295.99	2.80	-43.40
CCCN1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1=O	REAL300024348868	0	39	-1.0	-52.97	328.55	1.75	-51.22
C=CCCN(OCC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348869	0	40	-1.0	-43.75	360.84	4.99	-38.76
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)OC(C)(C)C	REAL300024348870	0	52	-1.0	-43.16	399.86	3.15	-40.01
O=C(CSC1=NNC(=O)[N-]1)NNC1=NC=NC=C1Cl	REAL300024348871	0	26	-1.0	-42.86	271.54	0.00	-42.86
C[NH+](C)CCC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348872	0	44	0.0	-71.94	374.79	3.61	-68.33
CS(=O)(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300024348873	0	32	-1.0	-47.77	318.60	-1.34	-49.11
CC(C)(CC1=CC=C(C(F)(F)F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348874	0	41	-1.0	-45.19	359.17	3.55	-41.64
CC1=NN(C)C(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1C#N	REAL300024348875	0	42	-1.0	-49.66	366.07	1.21	-48.45
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2CC2)CC1	REAL300024348876	0	40	-1.0	-48.21	335.69	2.84	-45.37
CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(N2C=C(Cl)C=N2)=N1	REAL300024348877	0	38	-1.0	-47.20	361.81	3.34	-43.86
CC1COC(C2=CC=CC(Cl)=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348878	0	40	-1.0	-43.80	358.53	3.76	-40.04
CCOC(=O)C(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024348879	0	44	-1.0	-46.61	376.50	4.41	-42.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC2=CC=CC=C2S1	REAL300024348880	0	35	-1.0	-43.87	330.06	3.19	-40.68
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300024348881	0	35	-1.0	-43.61	330.21	2.69	-40.92
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C2NC=CC2=C1	REAL300024348882	0	33	-1.0	-46.59	297.91	1.67	-44.92
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348883	0	46	-1.0	-52.30	379.06	1.22	-51.08
COC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(OC)=C1	REAL300024348884	0	36	-1.0	-44.70	331.31	0.79	-43.91
CN1N=CC2=C(NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C21	REAL300024348885	0	32	-1.0	-46.27	296.33	0.66	-45.61
O=C(CSC1=NNC(=O)[N-]1)OC1=CC=C2CCC(=O)NC2=C1	REAL300024348886	0	33	-1.0	-46.29	307.46	2.22	-44.07
C[C@@H](O)CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348887	0	38	-1.0	-44.12	318.23	-3.17	-47.29
CC(=O)N1CCN(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024348888	0	45	-1.0	-52.96	376.54	0.86	-52.10
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CC(C)(C)OC(=O)NC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348890	0	49	-1.0	-45.02	386.94	1.70	-43.32
COC1(C(F)(F)F)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348891	0	36	-1.0	-45.77	310.74	0.79	-44.98
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CC[NH+](CC)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348894	0	44	0.0	-67.33	356.10	3.67	-63.66
COC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C	REAL300024348895	0	35	-1.0	-46.45	305.51	1.52	-44.93
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1CC(C)(C)O	REAL300024348896	0	44	-1.0	-43.73	352.07	-0.98	-44.71
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CC(C)(C)O	REAL300024348896	1	45	0.0	-63.67	351.11	0.62	-63.05
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CC(C)(C)O	REAL300024348896	1	45	0.0	-68.92	347.14	0.76	-68.16
CCOC1CC(CO)(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024348897	0	43	-1.0	-45.52	350.53	-1.91	-47.43
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CC(C)(C)C1=CC=CC2=C1OCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024348899	0	43	-1.0	-44.24	347.18	4.33	-39.91
CC(C)(C)C1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024348900	0	41	-1.0	-42.54	333.07	3.69	-38.85
CC1CN(CC(C)(C)O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348901	0	44	-1.0	-43.31	349.47	-0.94	-44.25
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348901	1	45	0.0	-68.46	350.95	0.94	-67.52
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348901	1	45	0.0	-66.75	348.96	0.79	-65.96
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1CCO	REAL300024348902	0	41	-1.0	-44.67	324.10	-2.47	-47.14
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CCO	REAL300024348902	1	42	0.0	-64.01	326.83	-0.71	-64.72
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CCO	REAL300024348902	1	42	0.0	-65.28	325.32	-0.39	-65.67
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300024348903	0	43	-1.0	-46.24	381.31	5.77	-40.47
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)O1	REAL300024348904	0	39	-1.0	-42.51	320.72	1.33	-41.18
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC2=C(F)C=CC=C21	REAL300024348905	0	34	-1.0	-45.06	304.74	0.75	-44.31
O=C(CSC1=NNC(=O)[N-]1)N1CC(CC2=CC=C(F)C(F)=C2)C1	REAL300024348906	0	36	-1.0	-49.79	336.73	3.97	-45.82
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C(=O)NC2CCCCC2)C(O)=C1	REAL300024348907	0	47	-1.0	-53.80	397.09	1.09	-52.71
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)N1CC(OC(=O)NC2=CC=CC(F)=C2)C1	REAL300024348908	0	38	-1.0	-50.53	354.55	0.92	-49.61
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1C1=NC(C2=CC=CC=C2)=CN1	REAL300024348909	0	46	-1.0	-52.64	384.36	4.62	-48.02
NC1=NC(=O)NC=C1N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348910	0	39	-1.0	-55.02	339.26	-2.77	-57.79
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C=N1	REAL300024348911	0	31	-1.0	-43.37	304.60	0.58	-42.79
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C=N1	REAL300024348912	0	31	-1.0	-43.35	304.60	0.58	-42.77
CC(C)(CC1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348913	0	47	-1.0	-42.68	348.95	3.05	-39.63
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
COCCOC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348915	0	37	-1.0	-45.14	326.92	-0.50	-45.64
CCN1C=C([C@H]2OCCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024348916	0	43	-1.0	-49.89	371.83	0.67	-49.22
CCC1(C)OC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2O1	REAL300024348917	0	38	-1.0	-44.62	330.12	1.49	-43.13
CC(C)(C)C1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348918	0	47	-1.0	-43.51	356.96	3.02	-40.49
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC=C1OCC1CCC1	REAL300024348919	0	40	-1.0	-44.34	362.68	3.73	-40.61
CCOC(=O)C(CC)N(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024348920	0	41	-1.0	-43.98	340.77	3.60	-40.38
NC(=O)C1C2CCCC2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348921	0	37	-1.0	-51.62	307.52	-1.32	-52.94
COCC1=NOC(CN2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024348922	0	43	-1.0	-47.99	371.54	-2.82	-50.81
CCOCCOCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348923	0	39	-1.0	-43.95	340.84	0.36	-43.59
COC(=O)C(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024348924	0	41	-1.0	-44.68	359.99	2.73	-41.95
CC1=CC(C)=CC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348925	0	42	-1.0	-45.81	358.33	5.70	-40.11
CC1=CC=C(N2C=C(NC(=O)CSC3=NNC(=O)[N-]3)C=N2)C(C)=C1	REAL300024348926	0	39	-1.0	-47.64	348.71	3.52	-44.12
CCOC(CCNC(=O)CSC1=NNC(=O)[N-]1)OCC	REAL300024348927	0	39	-1.0	-45.19	338.98	-0.54	-45.73
O=C(CSC1=NNC(=O)[N-]1)NNC1=NN=C(C2=CC=CC=N2)S1	REAL300024348928	0	32	-1.0	-46.62	323.43	-0.52	-47.14
COC(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C(C)C=C1C	REAL300024348929	0	38	-1.0	-47.40	336.19	2.77	-44.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300024348930	0	38	-1.0	-44.91	349.79	3.21	-41.70
CC1=CC=CC=C1C(C(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024348931	0	47	0.0	-63.98	367.02	4.09	-59.89
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCC2=CC=CN=C21	REAL300024348932	0	38	-1.0	-48.51	322.97	2.94	-45.57
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Br)=C(F)C=C1F	REAL300024348933	0	26	-1.0	-41.26	279.97	1.51	-39.75
COCC(C)OC1=CC=C(Cl)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348934	0	40	-1.0	-45.87	364.82	1.57	-44.30
CCOC(=O)C1=C(NC(=O)CSC2=NNC(=O)[N-]2)SC2=C1CCCC2	REAL300024348935	0	42	-1.0	-43.97	378.57	4.08	-39.89
CC1=CC(C)=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1CO	REAL300024348936	0	36	-1.0	-48.78	314.60	-0.35	-49.13
CC(=O)N1CCN(CC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024348937	0	48	-1.0	-49.39	399.16	1.05	-48.34
CC(C)(C)OC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348938	0	49	-1.0	-47.22	394.22	2.34	-44.88
CC(=O)N1CCN(CC2=CC=CC=C2NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348939	0	48	-1.0	-54.60	388.54	1.68	-52.92
COC(COCCNC(=O)CSC1=NNC(=O)[N-]1)OC	REAL300024348940	0	37	-1.0	-48.59	329.36	-2.51	-51.10
NC(=O)C1=NOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348941	0	31	-1.0	-47.69	296.91	-5.73	-53.42
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300024348942	0	41	-1.0	-44.46	362.37	3.68	-40.78
CN1C=CC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C21	REAL300024348943	0	33	-1.0	-47.24	301.65	2.49	-44.75
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=CC=C2CO)CC1	REAL300024348944	0	43	-1.0	-46.22	356.49	1.91	-44.31
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=C(F)C(F)=C1	REAL300024348945	0	32	-1.0	-47.40	308.16	1.74	-45.66
CC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1Br	REAL300024348946	0	32	-1.0	-43.99	310.63	1.92	-42.07
CC(C)OC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(Cl)=C1	REAL300024348947	0	36	-1.0	-42.05	333.99	2.30	-39.75
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=CC=C1OC(F)F	REAL300024348948	0	36	-1.0	-47.58	333.51	1.26	-46.32
CCN(CCC[NH+](CC)CC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348949	0	46	0.0	-64.25	362.78	4.07	-60.18
CCN(CCC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348950	0	44	0.0	-64.96	353.48	4.03	-60.93
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C2NC=CC2=C1	REAL300024348951	0	36	-1.0	-47.24	320.98	3.36	-43.88
CC(C)C(CC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348952	0	34	-1.0	-45.81	301.59	1.39	-44.42
COC1=CC=C(CC(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348953	0	42	-1.0	-45.60	349.93	1.85	-43.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(C2=CC=CC=C2)CCCC1	REAL300024348954	0	45	-1.0	-43.91	356.00	4.70	-39.21
COC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348955	0	42	-1.0	-50.74	376.69	2.91	-47.83
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OC(F)F)C2=CC=CN=C12	REAL300024348956	0	35	-1.0	-49.50	325.87	0.93	-48.57
CCC(C)(O)CN(CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348957	0	45	-1.0	-47.25	369.43	2.85	-44.40
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CCCO2)CC1	REAL300024348958	0	40	-1.0	-44.42	326.46	1.92	-42.50
COCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)O1	REAL300024348959	0	37	-1.0	-44.11	314.14	-0.48	-44.59
CCCC1(C)C(=O)NCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348960	0	39	-1.0	-45.57	316.14	-0.32	-45.89
CC(C)(C)OC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024348961	0	47	-1.0	-46.43	390.55	-0.84	-47.27
CC1=CC=C(SCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024348962	0	39	-1.0	-46.06	355.87	3.65	-42.41
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C2=CC3=CC=CC=C3O2)=CS1	REAL300024348963	0	38	-1.0	-47.42	368.23	2.10	-45.32
CC1=CC=C(I)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348964	0	29	-1.0	-44.53	294.45	2.72	-41.81
CC1=CC=C(C(=O)NCC2CC2)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348965	0	43	-1.0	-55.54	376.12	2.28	-53.26
O=C(CSC1=NNC(=O)[N-]1)N[C@H](CO)CC1=CC=CC=C1	REAL300024348966	0	36	-1.0	-45.02	323.86	-0.63	-45.65
CCOC(=O)[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024348967	0	35	-1.0	-50.60	311.47	2.59	-48.01
COC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C2=NC=CC=C12	REAL300024348968	0	35	-1.0	-46.52	316.09	0.64	-45.88
CN1CC[NH+](CCC(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348969	0	49	0.0	-71.83	378.15	0.23	-71.60
C[NH+]1CCN(CCC(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348969	1	49	0.0	-69.71	378.54	0.34	-69.37
C#CCOC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348970	0	32	-1.0	-45.88	303.50	1.63	-44.25
N#CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC2=CC=CC=C2C1	REAL300024348971	0	37	-1.0	-50.55	326.35	2.39	-48.16
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=C(Br)C(F)=C1	REAL300024348972	0	28	-1.0	-43.09	291.77	1.02	-42.07
COC1=CC(C)=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024348973	0	33	-1.0	-48.48	301.37	0.93	-47.55
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=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300024348974	1	31	-1.0	-52.78	325.94	2.63	-50.15
CC(C(=O)NC(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024348975	0	41	-1.0	-47.33	338.96	0.37	-46.96
CC1=CC(C)=C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300024348976	0	39	-1.0	-43.69	328.62	4.38	-39.31
CC1=CC=CC2=C1N(C1CC1)CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024348977	0	42	-1.0	-45.39	332.65	3.06	-42.33
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CN=CN1C	REAL300024348978	0	35	-1.0	-48.76	328.79	0.97	-47.79
COCN1C(=O)CCC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C21	REAL300024348979	0	41	-1.0	-48.55	357.25	0.35	-48.20
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(OC)C(Cl)=C1	REAL300024348980	0	39	-1.0	-49.12	371.08	1.76	-47.36
CN1C(CNC(=O)CSC2=NNC(=O)[N-]2)=NC2=CC=CC(Cl)=C21	REAL300024348981	0	35	-1.0	-45.90	332.82	1.53	-44.37
CCOC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(OC)C(F)=C1	REAL300024348982	0	42	-1.0	-49.95	383.14	2.20	-47.75
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC(F)=CC(Br)=C1	REAL300024348983	0	35	-1.0	-42.34	332.98	3.00	-39.34
COCCOC1COCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348984	0	41	-1.0	-46.08	355.27	-2.58	-48.66
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=NN=C(C(F)(F)F)S2)CC1	REAL300024348985	0	36	-1.0	-45.43	346.31	0.49	-44.94
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CC(C)CC1C(=O)NCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024349030	0	39	-1.0	-46.95	323.39	-0.09	-47.04
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CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(N(C)C)C=C1	REAL300024349035	0	40	-1.0	-44.37	342.58	2.07	-42.30
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CC(C)OCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024349037	0	40	-1.0	-44.34	339.86	0.34	-44.00
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CC(C)C1=NN=C2C=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300024349043	0	37	-1.0	-49.49	334.96	2.88	-46.61
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COC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(OCC2=CC=CC=C2)=C1	REAL300024349045	0	44	-1.0	-44.90	387.11	3.42	-41.48
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(OC)C(O)=C1	REAL300024349046	0	40	-1.0	-49.68	365.83	-0.97	-50.65
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CCOC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024349048	0	37	-1.0	-51.00	331.42	-0.71	-51.71
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CN1CC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C2NC1=O	REAL300024349050	0	36	-1.0	-47.92	322.27	-0.10	-48.02
CC(C)(C)OCC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024349051	0	41	-1.0	-45.56	360.69	0.15	-45.41
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CC(C)C1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024349053	0	38	-1.0	-42.71	329.93	2.67	-40.04
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CCOC1CC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024349055	0	39	-1.0	-45.20	338.94	0.63	-44.57
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COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024349058	0	39	-1.0	-42.31	318.79	0.26	-42.05
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O=C(CSC1=NNC(=O)[N-]1)NCC[N@H+]1CCCOCC1	REAL300024349062	1	39	0.0	-71.53	315.76	-0.85	-72.38
N#CC1=CC=CN=C1OC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349063	0	43	-1.0	-51.44	382.57	1.11	-50.33
CC(C)(O)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024349064	0	39	-1.0	-43.99	342.98	-0.44	-44.43
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COC1=CC=C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CCC2=C1	REAL300024349066	0	40	-1.0	-44.33	334.44	3.12	-41.21
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CN2CCSC2=N1	REAL300024349067	0	34	-1.0	-54.60	321.43	0.87	-53.73
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COC(CN(CCCO)C(=O)CSC1=NNC(=O)[N-]1)OC	REAL300024349070	0	40	-1.0	-48.41	340.03	-2.16	-50.57
CCOC(=O)N1CCCC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024349071	0	46	-1.0	-48.83	383.43	1.57	-47.26
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COC(CCCC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)OC	REAL300024349074	0	48	-1.0	-45.57	388.06	1.07	-44.50
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CC(C)(C)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024349077	0	39	-1.0	-43.36	327.09	0.80	-42.56
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CCC(CN(CC)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024349079	0	44	-1.0	-44.15	363.33	5.61	-38.54
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O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2CC2)C2=CC=C(F)C=C21	REAL300024349081	0	39	-1.0	-45.07	329.98	2.98	-42.09
COC(=O)CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCOC1	REAL300024349082	0	39	-1.0	-46.10	327.91	0.09	-46.01
CCOC(=O)C(CC1=CC=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349083	0	41	-1.0	-48.33	384.19	4.01	-44.32
N#CC1(CNC(=O)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349084	0	34	-1.0	-48.38	322.97	-1.82	-50.20
CC(CC[NH+]1CCN(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349085	0	46	0.0	-68.99	371.35	0.22	-68.77
CC(CCN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349085	1	46	0.0	-68.01	371.75	0.32	-67.69
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=CC=C(F)C=C2F)C1	REAL300024349086	0	37	-1.0	-45.05	334.20	2.59	-42.46
COC1=CC(OC)=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1Br	REAL300024349087	0	34	-1.0	-46.56	325.75	0.13	-46.43
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC(Cl)=CC=C1Cl	REAL300024349088	0	32	-1.0	-43.27	320.88	2.64	-40.63
CS(=O)(=O)CCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024349089	0	37	-1.0	-54.11	342.17	-2.30	-56.41
CCOC1=CC=C2OCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024349090	0	41	-1.0	-48.79	349.97	0.87	-47.92
CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024349091	0	42	-1.0	-45.87	373.95	-1.35	-47.22
CN(C(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C[NH+]1CCCCCC1	REAL300024349092	0	50	0.0	-68.96	356.86	4.00	-64.96
CN(CC1(O)CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024349093	0	42	-1.0	-43.13	322.60	1.07	-42.06
O=C(CSC1=NNC(=O)[N-]1)NCCCCCC1=CC=C(F)C=C1	REAL300024349094	0	41	-1.0	-45.09	366.35	4.03	-41.06
CC1=CC(Br)=C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300024349095	0	36	-1.0	-43.39	329.76	4.34	-39.05
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(F)C=C1Br	REAL300024349096	0	29	-1.0	-43.41	298.82	1.42	-41.99
CC(C)(C)OC(=O)NC1=CC=CC2=C1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024349097	0	47	-1.0	-49.16	390.76	4.90	-44.26
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C1=CC=CC=C1)[NH+](C)C	REAL300024349098	0	44	0.0	-64.83	356.11	3.81	-61.02
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(O)(C2=CC=CN=C2)CC1	REAL300024349099	0	42	-1.0	-47.26	348.92	-0.40	-47.66
O=C(CSC1=NNC(=O)[N-]1)NC1(CC2=CC=CC(F)=C2)CCC1	REAL300024349100	0	39	-1.0	-43.27	343.95	3.71	-39.56
CN1C2=CC=CC=C2N=C1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349101	0	41	-1.0	-45.92	347.99	2.67	-43.25
CCOC(=O)[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024349102	0	35	-1.0	-50.59	311.45	2.61	-47.98
CN1C2=CC=C(Cl)C=C2N=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024349103	0	35	-1.0	-46.78	337.16	1.68	-45.10
COC(=O)[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024349104	0	35	-1.0	-44.73	306.43	1.67	-43.06
CC1=CC=C(C2=CN=C(NC(=O)CSC3=NNC(=O)[N-]3)S2)C(C)=C1	REAL300024349105	0	38	-1.0	-47.72	353.98	4.32	-43.40
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
CC1=CC=C2C(=C1)N=C(CNC(=O)CSC1=NNC(=O)[N-]1)N2C	REAL300024349106	0	38	-1.0	-47.53	342.57	1.86	-45.67
O=C(CSC1=NNC(=O)[N-]1)NCCCCCCOC1=CC=C(Cl)C=C1	REAL300024349107	0	45	-1.0	-45.66	406.64	4.07	-41.59
CC1=CC(Br)=C(F)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349108	0	29	-1.0	-44.82	292.65	2.24	-42.58
O=C(CSC1=NNC(=O)[N-]1)NCC1(CC2=CC=CC=C2)CCCCC1	REAL300024349109	0	48	-1.0	-43.87	376.27	4.93	-38.94
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC(Br)=CC=N1	REAL300024349110	0	27	-1.0	-42.82	283.43	0.26	-42.56
CCOC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349111	0	35	-1.0	-45.36	323.60	0.91	-44.45
O=C(CSC1=NNC(=O)[N-]1)NCC1(CCOCC2=CC=CC=C2)CC1	REAL300024349112	0	46	-1.0	-45.26	401.19	3.66	-41.60
COC1=CC=CC=C1C(CNC(=O)CSC1=NNC(=O)[N-]1)OC(C)C	REAL300024349113	0	46	-1.0	-45.08	391.48	1.68	-43.40
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CC1OCC1=CC=CC=C1	REAL300024349114	0	46	-1.0	-44.10	391.84	3.60	-40.50
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CC(Br)=C2C1	REAL300024349115	0	30	-1.0	-43.58	297.57	2.99	-40.59
CC[NH+]1CCN(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024349116	0	47	0.0	-72.38	377.98	2.49	-69.89
CC(C)CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1=O	REAL300024349117	0	39	-1.0	-46.65	325.43	1.36	-45.29
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300024349118	0	49	-1.0	-48.25	391.31	1.93	-46.32
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)NC1=NN=C(CC2=CC=C(Cl)C=C2)S1	REAL300024349119	1	34	-1.0	-51.58	349.45	3.14	-48.44
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2CC2)CC1	REAL300024349120	0	40	-1.0	-47.27	342.43	0.95	-46.32
CC(C)C1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349121	0	44	-1.0	-43.57	342.90	2.70	-40.87
C[NH+](C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300024349122	0	44	0.0	-75.46	382.46	3.73	-71.73
CN(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300024349122	1	43	-1.0	-43.62	370.48	1.44	-42.18
CC(C)(C)OC(=O)N1CCC(C)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349123	0	49	-1.0	-45.52	388.61	2.07	-43.45
COC1=CC=C(CN2C=CC(NC(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024349124	0	40	-1.0	-48.71	360.85	2.63	-46.08
C[C@H](O)CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349125	0	38	-1.0	-45.21	312.42	-3.21	-48.42
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC(Cl)=CC=C1Cl	REAL300024349126	0	32	-1.0	-43.31	321.39	2.67	-40.64
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CC=C2C2(CC2)C1	REAL300024349127	0	37	-1.0	-43.61	317.39	4.34	-39.27
COC1=CC=C2C(=C1)N=C(CNC(=O)CSC1=NNC(=O)[N-]1)N2C	REAL300024349128	0	39	-1.0	-49.50	349.89	0.45	-49.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CC2=CC=CC(F)=C2)CC1	REAL300024349129	0	43	-1.0	-44.43	361.23	2.23	-42.20
CCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1=O	REAL300024349130	0	42	-1.0	-46.27	345.00	2.02	-44.25
CCC1C(=O)N(CC)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024349131	0	39	-1.0	-46.13	318.79	1.25	-44.88
O=C(CSC1=NNC(=O)[N-]1)NC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1	REAL300024349132	0	46	-1.0	-48.96	398.76	3.52	-45.44
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
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C(C2=CC=CC=C2)=NN1	REAL300024349134	0	36	-1.0	-46.92	331.08	1.39	-45.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)OC(C)(C)C)C1CC1	REAL300024349135	0	49	-1.0	-45.01	403.49	2.10	-42.91
CC(=O)SCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024349136	0	40	-1.0	-46.62	366.60	2.12	-44.50
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CN2C=NC3=CC=CC=C32)C1	REAL300024349137	0	45	-1.0	-54.67	378.69	5.95	-48.72
CCN(CC(O)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024349138	0	32	-1.0	-43.99	298.67	-0.55	-44.54
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(C1)C(=O)NC1=CC=CC=C12	REAL300024349139	0	38	-1.0	-50.52	337.74	1.21	-49.31
CC(C1=CSC=C1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349140	0	41	-1.0	-42.94	351.93	1.99	-40.95
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(Cl)C=C1F	REAL300024349141	0	29	-1.0	-43.68	296.26	1.39	-42.29
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=C(F)C=C2Cl)CCCC1	REAL300024349142	0	42	-1.0	-42.12	357.92	4.72	-37.40
COC(=O)C(C)(C)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349143	0	43	-1.0	-45.55	350.48	0.43	-45.12
COC1=CC=CC(F)=C1N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024349144	0	42	-1.0	-46.94	356.01	1.55	-45.39
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCCCC2	REAL300024349145	0	45	-1.0	-43.28	335.51	4.28	-39.00
O=C(CSC1=NNC(=O)[N-]1)NC1CCOC(C2=CC=CC=C2)C1	REAL300024349146	0	40	-1.0	-43.96	347.14	2.00	-41.96
CCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1Br	REAL300024349147	0	33	-1.0	-43.37	319.63	1.63	-41.74
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(OCC2CC2)C1	REAL300024349148	0	40	-1.0	-43.23	338.02	2.59	-40.64
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C(=O)NCC(F)(F)F)C1	REAL300024349149	0	36	-1.0	-46.20	337.48	-0.30	-46.50
COCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024351416	0	39	-1.0	-44.02	327.37	0.47	-43.55
CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C12	REAL300024351417	0	38	-1.0	-44.37	334.52	3.48	-40.89
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(Br)=C1Cl	REAL300024351418	0	29	-1.0	-44.68	307.74	1.83	-42.85
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351419	0	35	-1.0	-50.42	322.24	-0.87	-51.29
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC=CC(C(F)(F)F)=N1	REAL300024351420	0	30	-1.0	-46.55	303.88	-0.93	-47.48
CC(C)C1N(C(=O)CSC2=NNC(=O)[N-]2)CC12CCOCC2	REAL300024351421	0	43	-1.0	-45.66	340.51	2.38	-43.28
COC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1S(C)(=O)=O	REAL300024351422	0	36	-1.0	-50.35	335.16	-1.91	-52.26
CS(=O)(=O)CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024351423	0	38	-1.0	-55.49	336.11	-1.86	-57.35
CCS(=O)(=O)C1=CC(Cl)=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351424	0	38	-1.0	-50.46	372.85	-0.23	-50.69
CC1(C)CCC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351425	0	44	-1.0	-42.29	339.98	2.60	-39.69
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C2CCC(=O)N2)=C1	REAL300024351426	0	37	-1.0	-50.03	331.50	0.23	-49.80
CN(CCCN(C)C(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351427	0	48	-1.0	-53.74	400.05	3.13	-50.61
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCC2)S(=O)(=O)CC1	REAL300024351428	0	39	-1.0	-46.48	319.33	0.02	-46.46
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CN=C1	REAL300024351429	0	37	-1.0	-46.76	318.78	0.89	-45.87
CC(C)(C)OC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C	REAL300024351430	0	49	-1.0	-43.57	386.75	3.02	-40.55
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(Cl)=CC(Br)=C1	REAL300024351431	0	29	-1.0	-42.26	311.98	1.97	-40.29
COC1=CC=C(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CO2)C=C1	REAL300024351432	0	40	-1.0	-46.27	361.59	2.09	-44.18
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)OCC1CC1	REAL300024351433	0	39	-1.0	-43.57	332.35	0.72	-42.85
CCC(CNC(=O)CSC1=NNC(=O)[N-]1)CC(F)(F)F	REAL300024351434	0	34	-1.0	-43.70	301.54	0.82	-42.88
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC(F)=CC=C1Br	REAL300024351435	0	28	-1.0	-42.76	289.65	1.09	-41.67
CN(C)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C(F)(F)F	REAL300024351436	0	37	-1.0	-42.91	340.04	1.83	-41.08
COC1=CC=C(Br)C(NNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351437	0	32	-1.0	-44.37	312.72	0.32	-44.05
CC(C)(C)OC(=O)NCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351438	0	49	-1.0	-48.01	404.82	0.41	-47.60
CCS(=O)(=O)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351439	0	38	-1.0	-55.08	354.35	-0.18	-55.26
O=C(CSC1=NNC(=O)[N-]1)NC1CC12CCC(F)(F)CC2	REAL300024351440	0	36	-1.0	-44.03	315.66	2.12	-41.91
CC(CC1=CC=CC=C1)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024351441	0	42	-1.0	-44.52	347.83	3.83	-40.69
CO[C@H]1C2=CC=CC=C2C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351442	0	37	-1.0	-43.91	328.17	1.45	-42.46
CC(C)(CCNC(=O)CSC1=NNC(=O)[N-]1)S(C)(=O)=O	REAL300024351443	0	37	-1.0	-55.46	323.44	-2.81	-58.27
CC1=CC=C(Br)C(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351444	0	32	-1.0	-43.61	313.59	2.12	-41.49
CC1=NN=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024351445	0	35	-1.0	-49.71	312.38	1.12	-48.59
O=C(CSC1=NNC(=O)[N-]1)NCC1=NN=C(C2=CC=NC=C2)N1	REAL300024351446	0	34	-1.0	-49.06	323.39	-0.64	-49.70
O=C(CSC1=NNC(=O)[N-]1)NCC1=NNC(C2=CC=NC=C2)=N1	REAL300024351446	1	34	-1.0	-47.44	323.71	-1.01	-48.45
CC(C)(C)OC(=O)NCCC(NC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024351447	0	45	-1.0	-49.58	396.88	-0.31	-49.89
CCOC(=O)CC1=CN=C(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024351448	0	34	-1.0	-51.82	333.71	1.84	-49.98
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
COCCN(CC1=CC=C(F)C(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351449	0	39	-1.0	-43.09	365.23	3.66	-39.43
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C(=O)NC(C)(C)C)C=C1	REAL300024351450	0	45	-1.0	-49.44	381.68	2.95	-46.49
O=C(CSC1=NNC(=O)[N-]1)N1CCS(=O)(=O)CC1C1CCC1	REAL300024351451	0	39	-1.0	-47.97	329.26	-0.31	-48.28
CSC1=CC(C)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351452	0	33	-1.0	-44.17	306.66	2.52	-41.65
COC(=O)C1CN(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351453	0	40	-1.0	-45.49	337.21	0.16	-45.33
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+](C)C1	REAL300024351453	1	41	0.0	-72.65	335.82	2.42	-70.23
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+](C)C1	REAL300024351453	1	41	0.0	-67.33	335.77	2.08	-65.25
COC1=CC=C(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024351454	0	36	-1.0	-45.04	336.66	2.84	-42.20
COC(=O)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351455	0	38	-1.0	-46.30	323.92	2.32	-43.98
COC(=O)C1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351456	0	38	-1.0	-44.41	321.80	2.41	-42.00
CC(C)(C)OC(=O)CCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351457	0	50	-1.0	-45.14	401.48	5.11	-40.03
CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024351458	0	50	-1.0	-46.57	397.53	3.15	-43.42
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351459	0	40	-1.0	-46.68	350.44	-1.53	-48.21
CC[NH+]1CCN(CC(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351460	0	49	0.0	-66.40	375.48	2.03	-64.37
CCN1CCN(CC(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351460	1	48	-1.0	-42.95	372.00	-0.31	-43.26
NC(=O)CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351461	0	34	-1.0	-43.32	290.80	-4.03	-47.35
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(C2=CC=CC(Cl)=C2)C1	REAL300024351462	0	39	-1.0	-44.31	351.35	3.99	-40.32
COC(=O)C(CC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351463	0	35	-1.0	-43.21	313.86	0.97	-42.24
CC(C(=O)OC(C)(C)C)N(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024351464	0	44	-1.0	-43.91	362.81	4.18	-39.73
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351465	0	52	0.0	-71.98	431.59	3.82	-68.16
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351465	1	52	0.0	-72.45	431.01	3.81	-68.64
O=C(CSC1=NNC(=O)[N-]1)NCC1=NN2C=CC=NC2=N1	REAL300024351466	0	30	-1.0	-54.59	291.16	0.95	-53.64
CC(C)C1(C2=CC=CC=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351467	0	42	-1.0	-45.41	352.25	4.41	-41.00
CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351468	0	47	-1.0	-51.91	397.14	-2.39	-54.30
CC1=CC(N(C)C)=CC=C1CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351469	0	46	-1.0	-46.40	381.63	3.38	-43.02
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1OCC[NH+](C)C	REAL300024351470	0	46	0.0	-66.88	385.29	2.30	-64.58
N#CC1=CC=C2C(=C1)CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351471	0	37	-1.0	-46.69	328.06	2.95	-43.74
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2CCCCC(=O)C2=C1	REAL300024351472	0	38	-1.0	-52.07	331.17	2.89	-49.18
COC1=CC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC(C)(C)OC2=C1	REAL300024351473	0	44	-1.0	-43.33	364.71	3.01	-40.32
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OC2=CC=NC(Cl)=N2)C=C1	REAL300024351474	0	35	-1.0	-48.65	346.30	0.70	-47.95
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(CC(F)F)C1	REAL300024351475	0	34	-1.0	-45.76	301.55	-2.01	-47.77
CC1(C)CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024351476	0	38	-1.0	-47.78	333.85	2.81	-44.97
COC1=CC=CC(SC)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351477	0	34	-1.0	-48.57	321.01	1.35	-47.22
CC1CC(C(=O)OC(C)(C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351478	0	47	-1.0	-43.37	382.18	4.27	-39.10
O=C(CSC1=NNC(=O)[N-]1)N1CCNC(=O)C1CC1CCCCC1	REAL300024351479	0	46	-1.0	-45.53	359.48	1.52	-44.01
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CCO)CC1	REAL300024351480	0	39	-1.0	-46.49	316.70	-0.07	-46.56
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2=NN=NN2CC1	REAL300024351481	0	34	-1.0	-49.23	300.13	-1.43	-50.66
CC1=NC(Cl)=CC(NNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351482	0	29	-1.0	-42.59	295.66	-0.17	-42.76
CC1=NOC(CC2(O)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024351483	0	41	-1.0	-50.68	350.31	-2.10	-52.78
COC1=CC(Cl)=CC=C1OC(=O)CSC1=NNC(=O)[N-]1	REAL300024351484	0	29	-1.0	-42.56	294.09	3.25	-39.31
CC1(C)C(C2=CC=CC=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351485	0	42	-1.0	-45.30	343.41	4.77	-40.53
CC[NH+]1CCC(N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024351486	0	53	0.0	-65.47	395.62	3.71	-61.76
COC(=O)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024351487	0	35	-1.0	-51.13	330.52	2.20	-48.93
COC1(C(C)NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024351488	0	40	-1.0	-43.42	318.56	-0.80	-44.22
CC(C)N1C=C(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024351489	0	40	-1.0	-48.14	342.73	0.06	-48.08
COC1=CC=C(N(CC(C)C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351490	0	42	-1.0	-44.85	353.39	3.71	-41.14
CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351491	0	48	-1.0	-47.83	388.60	-0.62	-48.45
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(OC(C)(C)C)C1	REAL300024351492	0	42	-1.0	-43.26	344.32	2.05	-41.21
CC(C)(C)OC(=O)N1CCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024351493	0	50	-1.0	-48.86	395.37	2.65	-46.21
CN1C=NN=C1CC1(O)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351494	0	42	-1.0	-55.47	352.55	1.00	-54.47
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OC2CCC2)CC1	REAL300024351495	0	40	-1.0	-44.29	333.31	2.42	-41.87
COC1(C(F)(F)F)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351496	0	36	-1.0	-43.00	309.54	0.81	-42.19
CCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024351497	0	33	-1.0	-42.49	304.32	1.08	-41.41
COC1=CC(F)=C(Br)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351498	0	30	-1.0	-43.70	302.85	0.81	-42.89
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300024351499	0	42	-1.0	-44.19	365.83	4.91	-39.28
CO[C@@H]1C[C@@H](C2=NC(C)=C(C)N2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351500	0	43	-1.0	-46.83	367.12	0.92	-45.91
COC(=O)CCC(CC1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351501	0	50	-1.0	-45.52	409.16	4.24	-41.28
O=C(CSC1=NNC(=O)[N-]1)NC1COCC2=CC=CC=C21	REAL300024351502	0	34	-1.0	-44.49	303.92	0.50	-43.99
COCCOCCCOC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351503	0	50	-1.0	-47.47	435.95	1.18	-46.29
CC1=CC=C(N(CC(C)C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351504	0	41	-1.0	-43.77	335.99	4.76	-39.01
CC1=CC=C(CC(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351505	0	41	-1.0	-44.00	341.85	3.22	-40.78
CN(CCCN1C=NC2=C(N)N=CN=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351506	0	41	-1.0	-50.76	366.86	3.12	-47.64
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCC1C(C)(C)C	REAL300024351507	0	44	-1.0	-43.41	337.11	3.70	-39.71
CCCN1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1=O	REAL300024351508	0	39	-1.0	-52.13	341.56	0.39	-51.74
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300024351509	0	49	-1.0	-44.80	389.66	2.56	-42.24
COC(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1N1CCCCC1	REAL300024351510	0	47	-1.0	-48.94	397.37	3.95	-44.99
NC(=O)[C@H]1CC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351511	0	39	-1.0	-48.90	331.78	-2.07	-50.97
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CC1=CC=CC=C1Br	REAL300024351512	0	39	-1.0	-42.85	342.04	4.96	-37.89
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(F)=CC(F)=C1O	REAL300024351513	0	27	-1.0	-42.76	270.83	-1.87	-44.63
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)N1CCN(C2=NC=CS2)CC1	REAL300024351514	0	34	-1.0	-45.05	309.21	0.33	-44.72
CC1=CN2C(=NN=C2CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351515	0	34	-1.0	-49.63	316.75	1.83	-47.80
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)ONC(=O)OC(C)(C)C	REAL300024351516	0	49	-1.0	-49.27	407.59	0.87	-48.40
COC(=O)N1CC2CCC1C(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351517	0	41	-1.0	-48.87	343.88	0.39	-48.48
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCOCC1	REAL300024351518	0	43	-1.0	-45.04	335.09	-2.46	-47.50
O=C(CSC1=NNC(=O)[N-]1)NC1=NC=C(C2=CN=CC=N2)S1	REAL300024351519	0	30	-1.0	-50.59	304.17	-0.55	-51.14
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
CC1(CC2=CC=C(F)C=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351520	0	42	-1.0	-44.76	351.94	5.01	-39.75
CC1CCC(C(=O)OC(C)(C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351521	0	47	-1.0	-43.23	375.83	4.32	-38.91
CN1C=C(CC(CO)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024351522	0	36	-1.0	-49.46	328.64	-2.93	-52.39
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=CNN=C2)CC1	REAL300024351523	0	38	-1.0	-46.47	324.28	-1.49	-47.96
COC(=O)CNC(=O)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351524	0	39	-1.0	-51.91	350.00	-0.43	-52.34
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=NN1CC(F)(F)F	REAL300024351525	0	32	-1.0	-47.20	309.82	1.21	-45.99
CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351526	0	50	-1.0	-48.13	403.21	-1.32	-49.45
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC(CO)O1	REAL300024351527	0	37	-1.0	-44.85	312.46	-2.23	-47.08
COC(=O)C1CCC2=C(C1)N=C(NC(=O)CSC1=NNC(=O)[N-]1)S2	REAL300024351528	0	38	-1.0	-44.53	350.48	2.08	-42.45
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
CC1(C)CCC2=C1N=C(NC(=O)CSC1=NNC(=O)[N-]1)S2	REAL300024351529	0	35	-1.0	-43.74	319.02	1.94	-41.80
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CC(F)(F)F)C1	REAL300024351530	0	35	-1.0	-47.34	306.75	2.58	-44.76
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(CC)O1	REAL300024351531	0	39	-1.0	-42.31	322.10	1.86	-40.45
COC(=O)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024351532	0	32	-1.0	-45.63	320.33	0.70	-44.93
CN(CC(=O)NCC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351533	0	39	-1.0	-50.77	352.11	1.73	-49.04
O=C(CSC1=NNC(=O)[N-]1)NC1CCOC2(CCOCC2)C1	REAL300024351534	0	41	-1.0	-43.85	333.00	-1.13	-44.98
CC1=CC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2=C1	REAL300024351535	0	36	-1.0	-43.65	311.73	3.84	-39.81
O=C(CSC1=NNC(=O)[N-]1)NC1=CC2=C(Cl)N=CC=C2C=C1	REAL300024351536	0	31	-1.0	-44.88	303.87	1.57	-43.31
O=C(CSC1=NNC(=O)[N-]1)N1CCSCC1C1CCC1	REAL300024351537	0	37	-1.0	-41.41	310.98	3.28	-38.13
CC(=O)NCC1=CC(OC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=N1	REAL300024351538	0	46	-1.0	-50.63	403.61	-0.09	-50.72
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1OC1CC(=O)N1	REAL300024351539	0	35	-1.0	-51.31	321.88	-3.66	-54.97
CC1CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)OC(C)(C)C	REAL300024351540	0	55	-1.0	-50.19	423.58	3.04	-47.15
CC(C)(C)OC(=O)N1CC2CCC1CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024351541	0	47	-1.0	-45.79	380.46	2.87	-42.92
COC1=CC=C2C(=C1)CC(C(C)C)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024351542	0	46	-1.0	-44.19	370.69	4.46	-39.73
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=NC2=CC=CC=C2N1	REAL300024351543	0	35	-1.0	-46.19	319.69	0.48	-45.71
O=C(CSC1=NNC(=O)[N-]1)NC1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300024351544	0	36	-1.0	-49.86	335.35	4.34	-45.52
CC(=O)N(C)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024351545	0	35	-1.0	-51.36	322.09	0.13	-51.23
O=C(CSC1=NNC(=O)[N-]1)NC(CO)CC1CCCCC1	REAL300024351546	0	42	-1.0	-43.53	345.90	-0.44	-43.97
CN(C(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C[NH+]1CCCC1	REAL300024351547	0	44	0.0	-68.80	331.14	3.03	-65.77
N#CC1=CC=CC2=C1CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024351548	0	31	-1.0	-43.21	288.88	3.10	-40.11
CCN(CCOC1=CC=CC=C1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351549	0	42	-1.0	-44.43	359.76	4.34	-40.09
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=C(Cl)C=C2)CC1	REAL300024351550	0	33	-1.0	-44.63	315.46	2.95	-41.68
CC(C)OC1=CC(C(N)=O)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351551	0	40	-1.0	-46.27	352.13	-1.42	-47.69
NC1=NOC2=CC(CNC(=O)CSC3=NNC(=O)[N-]3)=CC=C12	REAL300024351552	0	33	-1.0	-49.68	312.14	-0.76	-50.44
COC(=O)C1=CN=C(C(C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024351553	0	34	-1.0	-44.99	335.50	-0.35	-45.34
COCC(C)(C)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351554	0	44	-1.0	-43.13	347.62	-0.61	-43.74
COCC(C)(C)[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351554	1	45	0.0	-66.70	349.13	1.45	-65.25
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NC3=C(CCCC3)S2)CC1	REAL300024351555	0	45	-1.0	-47.20	380.95	4.34	-42.86
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(N2C=CN=N2)C1	REAL300024351556	0	35	-1.0	-49.78	304.96	0.46	-49.32
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300024351557	0	46	0.0	-70.72	375.26	5.24	-65.48
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300024351557	1	46	0.0	-69.55	371.14	4.92	-64.63
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2OC3=C(F)C=CC(F)=C3O[C@H]2C1	REAL300024351558	0	36	-1.0	-48.34	332.10	2.05	-46.29
CS(=O)(=O)CCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351559	0	34	-1.0	-55.75	320.67	-3.06	-58.81
COC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1=CC=C(F)C=C1F	REAL300024351560	0	42	-1.0	-52.13	379.11	4.40	-47.73
COC(=O)N1CC2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351561	0	44	-1.0	-51.26	366.96	1.30	-49.96
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)C1CCCS1	REAL300024351562	0	31	-1.0	-45.64	295.79	-1.07	-46.71
COC1=CC=C(Cl)C=C1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351563	0	39	-1.0	-43.42	343.67	2.17	-41.25
COC1=CC(C)=C(S(C)=O)C=C1OC(=O)CSC1=NNC(=O)[N-]1	REAL300024351564	0	37	-1.0	-59.46	346.53	1.87	-57.59
CC(C)(C)[N@@H+]1CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024351565	0	44	0.0	-68.72	364.37	3.11	-65.61
CC(C)(C)[N@H+]1CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024351565	1	44	0.0	-68.76	364.32	3.11	-65.65
CC(C)(C)N1CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024351565	1	43	-1.0	-47.03	348.70	0.13	-46.90
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C(=O)OC(C)(C)C	REAL300024351566	0	47	-1.0	-47.73	363.59	5.07	-42.66
O=C(CCCC1=CC=CC=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351567	0	45	-1.0	-49.90	398.04	1.56	-48.34
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351568	0	49	-1.0	-44.30	401.70	0.45	-43.85
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C1	REAL300024351569	0	47	-1.0	-56.25	382.66	2.63	-53.62
CCOC(=O)CN(CC1=CC=CC=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351570	0	42	-1.0	-48.11	374.14	2.57	-45.54
CC1=CC(CNC(=O)OC(C)(C)C)=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351571	0	49	-1.0	-48.31	417.46	1.84	-46.47
CN(CC(C)(O)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351572	0	39	-1.0	-45.04	329.85	1.10	-43.94
CCC(CC)(CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024351573	0	49	-1.0	-47.01	391.88	3.20	-43.81
CC(C)(C)OC(=O)C(C)(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351574	0	46	-1.0	-44.84	379.35	2.32	-42.52
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC=C1OC(F)F	REAL300024351575	0	30	-1.0	-44.85	302.34	0.95	-43.90
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(COCCO)C=C1	REAL300024351576	0	37	-1.0	-47.49	336.15	-1.68	-49.17
COC(=O)C1=CC=C2C(=C1)CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024351577	0	36	-1.0	-44.32	323.06	3.40	-40.92
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(N=CN2)C1C1=CC=C(Cl)C=C1	REAL300024351578	0	40	-1.0	-49.71	360.00	4.60	-45.11
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(NC=N2)C1C1=CC=C(Cl)C=C1	REAL300024351578	1	40	-1.0	-46.39	360.06	4.60	-41.79
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC=C1OC1=CC=CC(F)=C1	REAL300024351579	0	37	-1.0	-42.73	360.28	4.27	-38.46
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1=C(F)C=CC=C1F	REAL300024351580	0	31	-1.0	-48.05	300.80	0.77	-47.28
CC(C)(C)OC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024351581	0	49	-1.0	-47.10	400.15	0.42	-46.68
O=C(CSC1=NNC(=O)[N-]1)NCC1=C(O)C2=NC=CC=C2C=C1	REAL300024351582	0	35	-1.0	-49.25	324.58	-1.52	-50.77
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N=S2(=O)CCCC2)C=C1	REAL300024351583	0	40	-1.0	-59.26	353.66	0.68	-58.58
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1CCC(F)(F)CC1	REAL300024351584	0	37	-1.0	-47.13	330.52	1.29	-45.84
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NC(C(F)(F)F)=NO1	REAL300024351585	0	30	-1.0	-42.74	305.36	-2.53	-45.27
COCC[N@@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351586	0	42	0.0	-68.61	341.34	0.74	-67.87
COCC[N@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351586	1	42	0.0	-68.78	345.38	0.19	-68.59
COCCN1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351586	1	41	-1.0	-44.48	337.72	-1.99	-46.47
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(CN2CCS(=O)CC2)C=C1	REAL300024351587	0	46	-1.0	-54.61	400.26	-0.42	-55.03
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C(F)F)=NO1	REAL300024351588	0	27	-1.0	-45.07	278.66	-3.39	-48.46
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H](O)C[NH+]1CCCCC1	REAL300024351589	0	42	0.0	-68.64	344.93	-1.40	-70.04
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)N2CCOCC2)CC1	REAL300024351590	0	46	-1.0	-48.64	376.09	-0.11	-48.75
CS(C)(=O)=NC(=O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351591	0	31	-1.0	-60.78	300.69	-4.59	-65.37
CC1=C(Br)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2=N1	REAL300024351592	0	36	-1.0	-44.34	327.96	2.50	-41.84
O=C(CSC1=NNC(=O)[N-]1)NC1CC1(F)C1=CC=CC=C1	REAL300024351593	0	33	-1.0	-43.81	306.75	2.31	-41.50
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C(F)F	REAL300024351594	0	29	-1.0	-45.82	276.91	1.89	-43.93
CC1=CC(Br)=CN=C1NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351595	0	30	-1.0	-42.48	301.27	0.97	-41.51
CC(C#N)N(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351596	0	39	-1.0	-47.61	359.51	4.84	-42.77
CCOC(=O)CN1C=NC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351597	0	34	-1.0	-56.90	324.11	3.83	-53.07
CC(C1=CC=CC(C#N)=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351598	0	36	-1.0	-45.12	324.25	4.32	-40.80
COC1=CC=C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024351599	0	40	-1.0	-45.60	336.75	3.68	-41.92
CCNC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351600	0	43	-1.0	-50.54	365.05	3.32	-47.22
CCN(CCC1=CC=C(C(F)(F)F)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351601	0	41	-1.0	-45.07	372.24	5.69	-39.38
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(CC2=NC3=CC=CC=C3N2)=C1	REAL300024351602	0	42	-1.0	-50.13	377.19	3.87	-46.26
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC(Cl)=NC(Cl)=C1	REAL300024351603	0	27	-1.0	-43.02	293.48	-0.58	-43.60
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](O)[C@H]1C1=CC=C(Cl)C=C1	REAL300024351604	0	37	-1.0	-47.29	340.86	1.73	-45.56
CN(CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351605	0	42	-1.0	-53.19	379.61	3.35	-49.84
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(CC2=CC(F)=CC=C2Cl)N=C1	REAL300024351606	0	36	-1.0	-48.13	352.32	2.82	-45.31
CC1(C)CC(C2=CC=CC=C2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351607	0	42	-1.0	-44.61	356.02	5.41	-39.20
CN1C(=O)NCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024351608	0	39	-1.0	-48.98	314.26	-1.23	-50.21
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2)C1C1CCOCC1	REAL300024351609	0	44	-1.0	-45.16	345.51	2.20	-42.96
COC1=CC=C(N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024351610	0	45	-1.0	-45.99	379.79	0.56	-45.43
O=C(CSC1=NNC(=O)[N-]1)NC1=NNC(CC2=CC=CC(F)=C2)=N1	REAL300024351611	0	35	-1.0	-50.82	334.13	3.98	-46.84
CC1=CC2=NNC(NC(=O)CSC3=NNC(=O)[N-]3)=C2C(=O)N1C	REAL300024351612	0	35	-1.0	-47.47	315.62	-0.04	-47.51
CC1=CC2=C(C(NC(=O)CSC3=NNC(=O)[N-]3)=NN2)C(=O)N1C	REAL300024351612	1	35	-1.0	-55.38	318.28	-0.06	-55.44
CC1(C)C2=CC=CC=C2CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351613	0	39	-1.0	-43.54	319.74	4.24	-39.30
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1C1=CC=CC=C1	REAL300024351614	0	45	-1.0	-45.13	366.66	6.03	-39.10
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2=C1C=CC(F)=C2F	REAL300024351615	0	31	-1.0	-42.89	288.86	1.77	-41.12
CC(C)(C)OC(=O)CCC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351616	0	50	-1.0	-50.53	395.06	5.10	-45.43
CC1=NC(C2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC(C(F)(F)F)=C2)=NN1	REAL300024351617	0	38	-1.0	-49.71	363.98	2.44	-47.27
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CS(=O)(=O)C2	REAL300024351618	0	30	-1.0	-53.60	290.04	-2.74	-56.34
CCC1=CSC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351619	0	34	-1.0	-44.49	321.15	0.11	-44.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NOC(C(F)(F)F)=N1	REAL300024351620	0	30	-1.0	-41.46	305.33	-2.57	-44.03
COC1=CC(NCCCNC(=O)CSC2=NNC(=O)[N-]2)=NC=N1	REAL300024351621	0	39	-1.0	-47.91	352.66	-2.07	-49.98
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCN2CC2=CC=CC=C2)C1	REAL300024351622	0	42	-1.0	-47.07	360.30	1.24	-45.83
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(N2CCCCC2)C=C1	REAL300024351623	0	44	-1.0	-43.19	366.88	2.14	-41.05
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300024351624	0	35	-1.0	-45.67	328.20	4.33	-41.34
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCC2=C(C1)SC=N2	REAL300024351625	0	32	-1.0	-45.88	299.69	-0.14	-46.02
CC(C)[N@H+](CCO)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351626	0	51	0.0	-67.65	382.20	1.32	-66.33
CC(C)[N@@H+](CCO)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351626	1	51	0.0	-67.81	379.17	1.65	-66.16
O=C(CSC1=NNC(=O)[N-]1)NC1=NNC(C2=CC=CS2)=C1	REAL300024351627	0	30	-1.0	-45.73	298.63	0.80	-44.93
O=C(CSC1=NNC(=O)[N-]1)NC1=NN=CN1C1=CC=CC=C1	REAL300024351628	0	32	-1.0	-51.92	303.56	5.72	-46.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CS(=O)(=O)C2=CC=CC=C2O1	REAL300024351629	0	37	-1.0	-51.67	346.04	-2.21	-53.88
CC1(CC2=CC=CC(F)=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351630	0	42	-1.0	-47.01	351.92	5.02	-41.99
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CCSC2)C1	REAL300024351631	0	35	-1.0	-44.91	302.88	1.08	-43.83
CC(C1=CC=CC=C1)N1C=C(NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024351632	0	39	-1.0	-48.36	345.71	2.62	-45.74
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1=CC(C)=CC=C1	REAL300024351633	0	39	-1.0	-49.12	345.04	3.00	-46.12
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CC=C2C[C@H]1C(=O)NC1CC1	REAL300024351634	0	44	-1.0	-50.31	375.10	4.15	-46.16
CNC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351635	0	40	-1.0	-50.79	343.59	2.49	-48.30
CCC1(CC)CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024351636	0	44	-1.0	-47.67	362.62	3.78	-43.89
COC1=CC=CC=C1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351637	0	37	-1.0	-45.04	328.07	1.41	-43.63
CC(C)(C)OC(=O)NCCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351638	0	51	-1.0	-48.19	426.54	0.71	-47.48
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(SCC[NH+]2CCCCC2)C=C1	REAL300024351639	0	49	0.0	-67.84	408.94	5.78	-62.06
CC(C)(C)OC(=O)NCC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351640	0	49	-1.0	-46.36	421.85	1.31	-45.05
CN(CC1(O)CCC2=CC=CC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351641	0	40	-1.0	-45.11	334.22	1.96	-43.15
COC1=CC=C(Cl)C=C1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351642	0	39	-1.0	-43.42	343.67	2.17	-41.25
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CCOCC2)CC1	REAL300024351643	0	43	-1.0	-44.13	340.45	2.24	-41.89
CC1=CC=C(CN(CC(C)C)C(=O)CSC2=NNC(=O)[N-]2)C(C)=C1	REAL300024351644	0	47	-1.0	-44.97	382.42	6.95	-38.02
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=CC(F)=C2)CCC1	REAL300024351645	0	36	-1.0	-45.52	320.67	2.73	-42.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(N2CCNC2=O)C=C1	REAL300024351646	0	42	-1.0	-52.84	363.94	0.40	-52.44
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCC2=CC(F)=CC=C21	REAL300024351647	0	37	-1.0	-45.58	329.81	-0.21	-45.79
O=C(CSC1=NNC(=O)[N-]1)NC1CC(N2CCOCC2)C1	REAL300024351648	0	39	-1.0	-44.05	330.22	-2.25	-46.30
O=C(CSC1=NNC(=O)[N-]1)NC1CC([NH+]2CCOCC2)C1	REAL300024351648	1	40	0.0	-70.08	332.74	-0.05	-70.13
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(CCO)C(=O)C=C1	REAL300024351649	0	33	-1.0	-54.53	306.66	-2.30	-56.83
O=C(CSC1=NNC(=O)[N-]1)NC1C2=CC=CC=C2CCC1[NH+]1CCCC1	REAL300024351650	0	49	0.0	-65.99	388.58	5.38	-60.61
CC(C)(C)OC(=O)C1=NNC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351651	0	38	-1.0	-48.44	338.80	0.72	-47.72
CC(C)(C)OC(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024351651	1	38	-1.0	-45.67	338.90	0.71	-44.96
COC1(OC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1O	REAL300024351652	0	38	-1.0	-44.49	315.30	-2.95	-47.44
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NC=CO2)CC1	REAL300024351653	0	35	-1.0	-46.86	307.96	-0.67	-47.53
CN(CC1=NN=C2C=CC=CN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351654	0	34	-1.0	-60.65	311.20	3.28	-57.37
CCC1=CC=C(CN(CC(C)C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351655	0	47	-1.0	-44.66	390.31	6.64	-38.02
CC1=CC=CC(C)=C1CN(CC(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351656	0	47	-1.0	-43.66	366.70	5.97	-37.69
COC1=CC=C(Br)C=C1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351657	0	37	-1.0	-45.21	349.39	2.01	-43.20
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CC(C)N(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300024351659	0	51	0.0	-61.32	403.40	6.68	-54.64
CC(C)N(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300024351659	1	51	0.0	-61.27	403.49	6.69	-54.58
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCO[C@@H](C2=CC=CN=C2)C1	REAL300024351660	0	39	-1.0	-45.59	338.38	0.52	-45.07
CC1(C)CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351661	0	45	-1.0	-43.30	352.14	4.19	-39.11
CC1CN(C(=O)OC(C)(C)C)C(C)C(C)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351662	0	52	-1.0	-43.70	403.69	4.55	-39.15
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
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CC1=CC=CC=C1C1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351665	0	36	-1.0	-44.93	316.82	2.62	-42.31
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C2OC(F)(F)OC2=C1	REAL300024351666	0	32	-1.0	-45.26	313.55	-0.05	-45.31
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351667	0	42	0.0	-70.79	355.54	2.01	-68.78
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C(=O)NCC2=CC=CC=C2)C1	REAL300024351668	0	43	-1.0	-48.11	376.97	2.23	-45.88
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CNC2=CC=CC(F)=C12)C(F)(F)F	REAL300024351669	0	36	-1.0	-51.17	341.52	2.02	-49.15
C[C@H]1[C@H](C2=CC=CC(F)=C2)OCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351670	0	40	-1.0	-43.84	340.97	2.97	-40.87
CC(C)CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300024351671	0	41	-1.0	-46.33	350.75	5.08	-41.25
CC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024351672	0	40	-1.0	-42.70	336.66	1.43	-41.27
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=C(C2=CC=C(Cl)S2)N=C1	REAL300024351673	0	31	-1.0	-45.95	326.01	1.49	-44.46
CC1=CC=C([C@@H]2C[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351674	0	36	-1.0	-44.81	322.96	2.95	-41.86
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCOC1	REAL300024351675	0	40	-1.0	-45.75	324.34	-3.52	-49.27
CC(C)(C)O[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351676	0	39	-1.0	-43.37	331.52	0.38	-42.99
CC(C)(C)OC(=O)C1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351677	0	47	-1.0	-46.21	374.55	3.97	-42.24
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CC1CC2(CN1C(=O)CSC1=NNC(=O)[N-]1)CCOCC2	REAL300024351679	0	40	-1.0	-44.50	318.30	1.18	-43.32
C[NH+]1CCC2(CC1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300024351680	0	43	0.0	-66.00	338.63	1.93	-64.07
CSC1=CC(F)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351681	0	30	-1.0	-42.33	291.67	1.92	-40.41
CC(C)C1N(C(=O)CSC2=NNC(=O)[N-]2)CC12CC=CC2	REAL300024351682	0	40	-1.0	-43.36	322.34	3.16	-40.20
O=C(CSC1=NNC(=O)[N-]1)NCCNC1=NC2=CC=CC=C2C=C1	REAL300024351683	0	39	-1.0	-49.64	350.05	1.02	-48.62
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2C(=O)CCCC2=C1	REAL300024351684	0	35	-1.0	-49.32	312.53	2.33	-46.99
NC(=O)C1=CC=C(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N=C1	REAL300024351685	0	41	-1.0	-49.73	352.38	-1.83	-51.56
CC(C)(C)OC(=O)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024351686	0	49	-1.0	-47.30	405.61	2.28	-45.02
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=NC=C2)CC1	REAL300024351687	0	42	-1.0	-48.04	362.67	0.35	-47.69
CCC(C)NC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351688	0	42	-1.0	-46.69	367.25	1.63	-45.06
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(SC2=CC=C(Cl)C=C2)C=C1	REAL300024351689	0	37	-1.0	-44.64	365.17	5.35	-39.29
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CC(C)[C@@H]1CCO[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351691	0	39	-1.0	-43.77	317.60	-0.47	-44.24
O=C(CSC1=NNC(=O)[N-]1)NCCC1CSC2=CC=CC=C2O1	REAL300024351692	0	38	-1.0	-47.96	348.64	2.19	-45.77
CC(C)(C)OC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024351693	0	48	-1.0	-43.78	384.37	1.60	-42.18
O=C(CSC1=NNC(=O)[N-]1)NC(C1CCC1)C1CCCC1	REAL300024351694	0	42	-1.0	-43.59	339.10	3.96	-39.63
C[N@@H+]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C2=CC=CC=C2)C1	REAL300024351695	0	45	0.0	-72.21	374.51	3.77	-68.44
C[N@H+]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)[C@H](C2=CC=CC=C2)C1	REAL300024351695	1	45	0.0	-74.47	375.62	3.69	-70.78
CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(C(N)=O)=C1	REAL300024351696	0	33	-1.0	-48.49	298.39	-1.36	-49.85
CN1C(=O)C=CC2=C(NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C21	REAL300024351697	0	35	-1.0	-48.00	311.57	1.63	-46.37
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=CN=C2)C1	REAL300024351698	0	35	-1.0	-46.31	309.61	1.87	-44.44
CC1(CC2=CC=CC=C2F)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351699	0	42	-1.0	-42.95	338.89	4.83	-38.12
O=C(CSC1=NNC(=O)[N-]1)NC(CCO)C1=CC=CC(OC(F)(F)F)=C1	REAL300024351700	0	40	-1.0	-44.14	362.69	-1.25	-45.39
CC1=CC=C(CN(CC2CC2)C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024351701	0	41	-1.0	-48.41	358.57	4.28	-44.13
O=C(CSC1=NNC(=O)[N-]1)NC(CCO)C1=CC=CC=C1F	REAL300024351702	0	36	-1.0	-45.70	321.14	-0.96	-46.66
O=C(CSC1=NNC(=O)[N-]1)NC(C1CCC1)C1CCCCC1	REAL300024351703	0	45	-1.0	-42.95	351.65	4.45	-38.50
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C(F)(F)F	REAL300024351704	0	39	-1.0	-49.73	341.02	0.31	-49.42
CNC1=CC=C([N+](=O)[O-])C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351705	0	33	-1.0	-52.27	308.52	0.50	-51.77
CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(Cl)=C1C	REAL300024351706	0	32	-1.0	-42.59	297.66	2.48	-40.11
CC(C)(C)OC(=O)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351707	0	40	-1.0	-45.90	345.91	1.43	-44.47
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300024351708	0	40	-1.0	-45.81	363.41	3.14	-42.67
CN1N=NC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C21	REAL300024351709	0	31	-1.0	-55.35	291.29	-0.68	-56.03
CC1=CC=CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)=C1	REAL300024351710	0	39	-1.0	-45.47	332.30	3.41	-42.06
CCO[C@@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H]1SC	REAL300024351711	0	37	-1.0	-47.80	339.44	0.42	-47.38
CC1=NOC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)=N1	REAL300024351712	0	38	-1.0	-46.89	326.40	-1.55	-48.44
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1CCCOC1	REAL300024351713	0	40	-1.0	-47.85	323.27	2.12	-45.73
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(Cl)=CC=C1Br	REAL300024351714	0	29	-1.0	-42.81	309.13	1.86	-40.95
CC(C)C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)N1CCOCC1	REAL300024351715	0	46	-1.0	-44.91	369.13	-0.49	-45.40
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(C2=NC3=CC=CC=C3N2)C1	REAL300024351716	0	45	-1.0	-49.93	381.40	2.78	-47.15
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=C(F)C=CC=C2F)CC1	REAL300024351717	0	38	-1.0	-45.86	332.99	2.24	-43.62
CC(CC(C)NC(=O)OC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351718	0	48	-1.0	-50.97	401.25	0.52	-50.45
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C(=O)OC(C)(C)C	REAL300024351719	0	47	-1.0	-43.89	370.97	3.92	-39.97
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=CC=C2F)CCC1	REAL300024351720	0	36	-1.0	-44.10	311.13	2.45	-41.65
CC1=CN=NN1C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351721	0	35	-1.0	-52.08	319.24	1.10	-50.98
CNC(=O)C(CNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=C(OC)C(F)=C1	REAL300024351722	0	46	-1.0	-54.73	409.09	-0.17	-54.90
CNC(=O)C(CNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=C(F)C=C1C	REAL300024351723	0	45	-1.0	-49.63	395.23	1.04	-48.59
CC1OCCC1C(=O)NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351724	0	34	-1.0	-45.85	301.94	-2.72	-48.57
O=C(CSC1=NNC(=O)[N-]1)N(CC1=CC=CC=C1)C(CO)C1CCC1	REAL300024351725	0	46	-1.0	-47.98	366.42	2.67	-45.31
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2N=C(C(F)(F)F)OC2=C1	REAL300024351726	0	31	-1.0	-43.41	311.13	-1.14	-44.55
O=C(CSC1=NNC(=O)[N-]1)OC1=CC=CC2=C1OCCC2	REAL300024351727	0	33	-1.0	-46.04	301.46	4.10	-41.94
CC(C)(C)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024351728	0	39	-1.0	-53.74	331.03	0.03	-53.71
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC2=NC=CC=N2)C1	REAL300024351729	0	36	-1.0	-48.92	323.95	2.01	-46.91
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300024351730	0	36	-1.0	-44.05	322.99	2.96	-41.09
O=C(CSC1=NNC(=O)[N-]1)N1CCCSC2=CC=CC=C21	REAL300024351731	0	34	-1.0	-44.98	309.62	4.30	-40.68
CCC1=NC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2S1	REAL300024351732	0	34	-1.0	-47.07	322.73	1.59	-45.48
CC[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024351733	0	40	-1.0	-42.68	336.65	1.43	-41.25
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300024351734	0	39	-1.0	-45.12	340.43	4.59	-40.53
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Br)C=C1F	REAL300024351735	0	32	-1.0	-44.19	317.20	2.41	-41.78
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H]1C1=CC=CC=C1	REAL300024351736	0	36	-1.0	-44.09	322.99	2.96	-41.13
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(COC2=CC=CC(F)=C2)C=C1	REAL300024351737	0	43	-1.0	-46.25	391.64	4.21	-42.04
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CCS(=O)(=O)C2)C1	REAL300024351738	0	37	-1.0	-52.18	321.19	-2.76	-54.94
COCCN1[C@H](C)CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300024351739	0	44	-1.0	-43.34	344.95	-0.34	-43.68
COCC[N@H+]1[C@H](C)CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300024351739	1	45	0.0	-64.63	346.62	1.73	-62.90
COCC[N@@H+]1[C@H](C)CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C	REAL300024351739	1	45	0.0	-65.06	347.56	1.21	-63.85
CCC(C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC	REAL300024351740	0	40	-1.0	-47.00	346.13	1.78	-45.22
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](OC2=CC=CC=C2)C1	REAL300024351741	0	37	-1.0	-45.90	325.35	2.71	-43.19
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(COC2=CC=C(F)C=C2)C=C1	REAL300024351742	0	43	-1.0	-45.30	391.63	4.20	-41.10
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)NCC1=CC=CS1	REAL300024351743	0	39	-1.0	-44.88	356.37	-0.11	-44.99
N#CCC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351744	0	33	-1.0	-49.07	316.19	2.03	-47.04
O=C(CSC1=NNC(=O)[N-]1)NCC1CSC2=CC=CC=C2O1	REAL300024351745	0	35	-1.0	-44.95	327.49	1.47	-43.48
CCCC1=NOC(CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024351746	0	46	-1.0	-47.10	385.87	2.52	-44.58
CC(C)[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)N1CCCC1	REAL300024351747	0	42	-1.0	-44.85	345.88	0.80	-44.05
CC1=CC=C(C(O)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351748	0	39	-1.0	-44.92	335.70	-0.08	-45.00
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300024351749	0	30	-1.0	-42.30	309.89	1.08	-41.22
COC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C	REAL300024351750	0	35	-1.0	-44.23	311.38	1.46	-42.77
CC1=CC(CC(=O)NNC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024351751	0	33	-1.0	-50.56	312.36	-2.70	-53.26
CC1=NNC(CC(=O)NNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351751	1	33	-1.0	-49.78	313.22	-2.80	-52.58
CC1=CC(C2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=NN2)=CC(C)=C1	REAL300024351752	0	39	-1.0	-45.20	347.93	3.01	-42.19
COC1=CC=C(Cl)C=C1C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024351753	0	37	-1.0	-46.36	352.82	1.68	-44.68
O=C(CSC1=NNC(=O)[N-]1)N1CCN2CC(F)(F)C[C@H]2C1	REAL300024351754	0	35	-1.0	-43.31	304.09	0.00	-43.31
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CCCC(C)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024351757	0	38	-1.0	-43.97	329.49	1.49	-42.48
CCOP(=O)(CN(C)C(=O)CSC1=NNC(=O)[N-]1)OCC	REAL300024351758	0	39	-1.0	-47.83	353.10	1.22	-46.61
CC(C)(C)OC(=O)CN1C=C(NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024351759	0	41	-1.0	-54.70	359.83	1.57	-53.13
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CC(C)(C)OC(=O)C1=NNC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351761	0	38	-1.0	-43.90	335.42	0.01	-43.89
CC(C)(C)OC(=O)CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCOCC1	REAL300024351762	0	51	-1.0	-44.84	407.47	3.53	-41.31
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CC(=O)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351764	0	39	-1.0	-48.83	344.73	1.63	-47.20
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CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1N(C)C	REAL300024351767	0	40	-1.0	-44.28	343.68	1.63	-42.65
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O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC(F)=C(F)C=C2C1	REAL300024351774	0	30	-1.0	-43.23	289.47	2.52	-40.71
COC1=CC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300024351775	0	34	-1.0	-44.45	306.27	1.70	-42.75
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CCOC(=O)CC1=C(C)SC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351777	0	37	-1.0	-47.26	350.41	1.81	-45.45
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CC(C)(C)OC(=O)C(CC1=CC=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351779	0	46	-1.0	-50.33	397.67	3.10	-47.23
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CC(C)CCC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024351782	0	38	-1.0	-44.52	330.92	1.53	-42.99
CC(C)CN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C1=CC=CC=C1Cl	REAL300024351783	0	44	-1.0	-44.64	359.23	5.64	-39.00
CC1=CC=C(C2=NNC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)O1	REAL300024351784	0	33	-1.0	-48.42	311.57	0.65	-47.77
CC1(C)C(C2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=NN2)C1(C)C	REAL300024351785	0	42	-1.0	-43.85	348.42	2.13	-41.72
COC1=CC=CC(N2C=C(NC(=O)CSC3=NNC(=O)[N-]3)N=N2)=C1	REAL300024351786	0	36	-1.0	-46.03	329.76	0.84	-45.19
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CN1C=CN=C1C1=NNC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351787	1	33	-1.0	-52.38	307.07	0.35	-52.03
CC1CSC2=CC=CC=C2N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351788	0	37	-1.0	-44.81	330.02	4.86	-39.95
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(O)C1CCC1=CC=CC=C1	REAL300024351789	0	46	-1.0	-45.72	373.91	3.17	-42.55
CC(C)(CO)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CN=C1	REAL300024351790	0	41	-1.0	-44.62	336.06	-1.28	-45.90
CC(C)(CO)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CS1	REAL300024351791	0	39	-1.0	-43.80	336.90	-0.69	-44.49
O=C(CSC1=NNC(=O)[N-]1)NC1=CNN=C1Br	REAL300024351792	0	23	-1.0	-41.65	248.26	-2.33	-43.98
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CC(CO)(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(O)C=C1	REAL300024351794	0	37	-1.0	-45.50	321.86	-3.95	-49.45
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O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CS1)C1(CO)CCC1	REAL300024351799	0	40	-1.0	-43.74	346.04	-0.19	-43.93
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC=C1)C1(CO)CCOCC1	REAL300024351800	0	47	-1.0	-46.39	367.53	0.13	-46.26
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CC(C)CCOC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351802	0	42	-1.0	-43.85	358.28	3.19	-40.66
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2=CC=CC(Br)=C2C1	REAL300024351803	0	34	-1.0	-46.97	317.01	3.10	-43.87
N#CC1=CC=C(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C=C1	REAL300024351804	0	37	-1.0	-47.11	331.91	3.15	-43.96
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC=C1)C1(CO)CCCCC1	REAL300024351805	0	49	-1.0	-46.04	385.64	2.14	-43.90
COC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1=CC=C(O)C=C1	REAL300024351806	0	43	-1.0	-49.15	378.48	1.42	-47.73
O=C(CSC1=NNC(=O)[N-]1)NC(C1CCOCC1)C1(CO)CCC1	REAL300024351807	0	47	-1.0	-46.95	365.23	-0.88	-47.83
CC1=C(CNC(=O)OC(C)(C)C)C(NC(=O)CSC2=NNC(=O)[N-]2)=NN1C	REAL300024351808	0	49	-1.0	-52.04	418.04	0.58	-51.46
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(N2C=CN=N2)=CC=C1F	REAL300024351809	0	32	-1.0	-55.32	306.20	0.76	-54.56
CC1=C(C(N)=O)SC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351810	0	32	-1.0	-47.15	313.21	-4.53	-51.68
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(OC2=CC=CC=C2)C=N1	REAL300024351811	0	39	-1.0	-45.62	359.32	1.92	-43.70
CC1CCC(C(N)=O)C(C)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351812	0	39	-1.0	-44.17	316.65	-1.30	-45.47
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1=C(Cl)C=CC=C1Cl	REAL300024351813	0	31	-1.0	-46.27	314.60	1.46	-44.81
CSC1=NC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300024351814	0	32	-1.0	-47.12	316.39	-1.97	-49.09
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
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC2=CC=CN=C21	REAL300024351815	0	35	-1.0	-46.78	312.09	1.14	-45.64
CCOC(=O)C(F)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351816	0	38	-1.0	-50.63	337.31	2.46	-48.17
CN1C(=O)NC(C)(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)C1=O	REAL300024351817	0	41	-1.0	-48.05	363.69	-0.17	-48.22
CC(=O)NC1=CC=CC2=C1CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351818	0	40	-1.0	-48.55	342.50	2.28	-46.27
CC(C)(C)OC(=O)C1=CN=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351819	0	40	-1.0	-48.87	352.65	1.68	-47.19
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C2CCCO2)=NN1	REAL300024351820	0	36	-1.0	-46.91	327.60	-2.23	-49.14
O=C(CSC1=NNC(=O)[N-]1)NCC1=NNC(C2CCCO2)=N1	REAL300024351820	1	36	-1.0	-45.20	326.88	-2.11	-47.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024351821	0	40	-1.0	-47.19	343.03	1.39	-45.80
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024351822	0	46	-1.0	-45.26	376.39	2.81	-42.45
CC(NC(=O)CSC1=NNC(=O)[N-]1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C	REAL300024351823	0	53	-1.0	-48.51	420.37	4.47	-44.04
CN1N=NC2=C1CCC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351824	0	35	-1.0	-54.45	310.89	-0.97	-55.42
COCC(CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351825	0	41	-1.0	-43.39	332.06	0.07	-43.32
CC(C)(C)C(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351826	0	45	-1.0	-46.67	360.14	0.73	-45.94
CC(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C	REAL300024351827	0	34	-1.0	-46.12	306.90	1.88	-44.24
O=C(CSC1=NNC(=O)[N-]1)NNC1=NC=C(Br)C=N1	REAL300024351828	0	26	-1.0	-42.78	278.23	0.67	-42.11
COC1=C2SC(NC(=O)CSC3=NNC(=O)[N-]3)=NC2=CC=C1	REAL300024351829	0	32	-1.0	-50.09	311.24	1.01	-49.08
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
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300024351830	0	37	-1.0	-44.67	344.73	2.04	-42.63
CC(C)(C)OC(=O)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024351831	0	42	-1.0	-45.46	375.43	-0.94	-46.40
CC(C)C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)CC(=O)OC1CCOC1	REAL300024351832	0	51	-1.0	-48.99	419.42	2.28	-46.71
O=C(CSC1=NNC(=O)[N-]1)NCCNC1=C2C=CSC2=NC=N1	REAL300024351833	0	35	-1.0	-48.04	336.43	0.27	-47.77
O=C(CSC1=NNC(=O)[N-]1)NCCCC1=NC(C2=CC=CC=N2)=CS1	REAL300024351834	0	40	-1.0	-48.62	377.27	1.51	-47.11
O=C(CSC1=NNC(=O)[N-]1)NCCCCC1=NC(C2=CC=CC=N2)=CS1	REAL300024351835	0	43	-1.0	-49.93	398.77	2.29	-47.64
CN(C1=CC=CC(C#N)=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351836	0	42	-1.0	-47.72	363.97	3.90	-43.82
COCCOC(=O)C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024351837	0	50	-1.0	-46.37	412.32	1.96	-44.41
CS(=O)(=O)CC1(NC(=O)CSC2=NNC(=O)[N-]2)COC1	REAL300024351838	0	33	-1.0	-58.31	303.59	-3.62	-61.93
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C2=CC=CC=N2)=CS1	REAL300024351839	0	34	-1.0	-46.28	334.27	-0.03	-46.31
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
O=C(CSC1=NNC(=O)[N-]1)N1NC(=O)CC12CCCCCC2	REAL300024351841	0	40	-1.0	-42.12	308.52	0.44	-41.68
CC1=C(Br)C=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351842	0	32	-1.0	-42.98	309.17	2.17	-40.81
CN(CC1=CC=C2OC(F)(F)OC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351843	0	35	-1.0	-50.30	330.73	2.09	-48.21
CC1=CC=C(C(NC(=O)CSC2=NNC(=O)[N-]2)C(F)(F)F)O1	REAL300024351844	0	32	-1.0	-43.87	312.62	0.97	-42.90
CCCCOC(=O)C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351845	0	40	-1.0	-41.78	345.60	1.76	-40.02
CC1(C)CCC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C2O1	REAL300024351846	0	40	-1.0	-46.27	338.78	2.56	-43.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2=CC=C(F)C(F)=C21	REAL300024351847	0	33	-1.0	-52.90	302.70	2.05	-50.85
CC(C)N(C)C(=O)C1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351848	0	42	-1.0	-47.79	354.57	2.42	-45.37
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C(F)(F)F)C1	REAL300024351849	0	39	-1.0	-47.10	347.67	0.35	-46.75
COC(=O)C1=C(NC(=O)CSC2=NNC(=O)[N-]2)SC(C)=C1C	REAL300024351850	0	35	-1.0	-44.28	334.22	1.91	-42.37
CCOC(=O)C1=C(NC(=O)CSC2=NNC(=O)[N-]2)SC=C1C1CC1	REAL300024351851	0	39	-1.0	-43.68	364.98	3.55	-40.13
O=C(CSC1=NNC(=O)[N-]1)NC1=NNC(C2=CC=CC=C2)=C1	REAL300024351852	0	33	-1.0	-45.29	305.13	1.68	-43.61
CC(C)CNC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351853	0	42	-1.0	-46.33	366.37	1.36	-44.97
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2C(=O)CCC2=C1	REAL300024351854	0	32	-1.0	-49.43	296.13	1.71	-47.72
CCOC(=O)C1=C(C)N=C(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024351855	0	34	-1.0	-42.40	327.58	1.08	-41.32
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
CC1=C(I)C(NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024351856	0	26	-1.0	-46.99	277.63	-0.01	-47.00
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Cl)C=C1C(O)C1=CC=CC=C1	REAL300024351857	0	40	-1.0	-44.50	366.47	3.09	-41.41
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N1C[C@@H](C)O[C@@H](C)C1	REAL300024351858	0	44	-1.0	-43.43	357.42	-1.46	-44.89
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351859	0	39	-1.0	-43.92	341.39	1.24	-42.68
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
CC(C)OC(=O)CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024351860	0	43	-1.0	-49.69	361.32	2.45	-47.24
O=C(CSC1=NNC(=O)[N-]1)NC(CC1CCCO1)C(F)(F)F	REAL300024351861	0	36	-1.0	-44.76	324.59	0.84	-43.92
CC(C)NC1=CC=CC(F)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351862	0	37	-1.0	-45.95	333.20	1.48	-44.47
C[NH+]1CCC(N(CCO)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351863	0	42	0.0	-61.41	335.75	-0.09	-61.50
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C1=NNC=C1	REAL300024351864	0	33	-1.0	-48.43	301.13	1.34	-47.09
CN1C=C(O)C(=O)C=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351865	0	33	-1.0	-51.77	303.95	-1.67	-53.44
CC(C)(C)OC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024351866	0	40	-1.0	-48.47	353.87	3.11	-45.36
COC(=O)CC1CC2=CC=CC=C2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351867	0	39	-1.0	-44.07	339.74	4.10	-39.97
CCN(CC)CC1=CSC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351868	0	39	-1.0	-41.73	341.45	-0.12	-41.85
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
CC(C)(C)OC(=O)N1CC(N(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C1	REAL300024351869	0	47	-1.0	-49.40	378.28	2.53	-46.87
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C2=CC=CN=C2)N=C2C=CC=CN21	REAL300024351870	0	38	-1.0	-47.71	343.90	4.08	-43.63
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=CN=C1N1C=CC=N1	REAL300024351871	0	31	-1.0	-45.13	294.12	1.52	-43.61
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=NNC=N2)CC1	REAL300024351872	0	34	-1.0	-48.99	300.31	1.21	-47.78
COC(=O)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=NC=C1	REAL300024351873	0	37	-1.0	-50.83	342.63	1.19	-49.64
O=C(CSC1=NNC(=O)[N-]1)NCCCOC1=NC=CC=N1	REAL300024351874	0	34	-1.0	-49.86	317.63	-3.36	-53.22
CC(C)(CO)C(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024351875	0	39	-1.0	-43.63	317.92	-0.58	-44.21
O=C(CSC1=NNC(=O)[N-]1)NC(C1CC1)C1(CO)CCOCC1	REAL300024351876	0	44	-1.0	-45.06	340.97	-1.01	-46.07
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC2=CC=C(Br)C=C2O1	REAL300024351877	0	31	-1.0	-44.07	317.56	-1.54	-45.61
COC1(OC)CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2C2=CC=CC=C2)C1	REAL300024351878	0	48	-1.0	-45.71	407.49	4.22	-41.49
COC1(OC)CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2C(C)C)C1	REAL300024351879	0	47	-1.0	-45.58	384.33	2.23	-43.35
CC(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C1(CO)CCCC1	REAL300024351880	0	45	-1.0	-43.76	343.30	-0.38	-44.14
CC(C)(C)OC(=O)NC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024351881	0	50	-1.0	-46.85	408.74	1.05	-45.80
CC1C(=O)N(C)C(C)C(C)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351882	0	39	-1.0	-45.45	320.02	1.13	-44.32
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC=C(F)C=N2)CC1	REAL300024351883	0	37	-1.0	-45.48	324.36	1.48	-44.00
O=C(CSC1=NNC(=O)[N-]1)NCC1=NNC(=O)N1C1CC1	REAL300024351884	0	33	-1.0	-47.01	305.68	-1.19	-48.20
CC(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C1(CO)CC=CC1	REAL300024351885	0	43	-1.0	-43.86	332.71	0.06	-43.80
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC(F)(F)CO)CC1	REAL300024351886	0	38	-1.0	-47.57	320.87	-3.48	-51.05
CC1=CNC(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)=N1	REAL300024351887	0	36	-1.0	-47.59	328.72	1.84	-45.75
O=C(CSC1=NNC(=O)[N-]1)NC(CC1=CC=CC=C1)C1=NOC=N1	REAL300024351888	0	37	-1.0	-49.03	343.19	0.21	-48.82
CC1=CC=C(C2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=NN2)S1	REAL300024351889	0	33	-1.0	-45.88	320.51	1.62	-44.26
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1C(O)C1=CC=CC=C1	REAL300024351890	0	43	-1.0	-45.78	345.83	3.65	-42.13
O=C(CSC1=NNC(=O)[N-]1)NNC(=S)NCC1CCC1	REAL300024351891	0	35	-1.0	-46.87	323.76	1.01	-45.86
CN(C)C1=CC=C(CN(CC(F)(F)F)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351892	0	43	-1.0	-46.07	375.30	4.54	-41.53
CCC(O)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351893	0	39	-1.0	-45.81	313.11	1.15	-44.66
CC(C)C(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351894	0	37	-1.0	-49.38	330.41	2.56	-46.82
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2N=C(Cl)SC2=C1	REAL300024351895	0	28	-1.0	-45.29	296.84	0.69	-44.60
CC1=CN=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1	REAL300024351896	0	37	-1.0	-46.89	328.05	0.92	-45.97
CCOC(=O)CN1C=CC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351897	0	35	-1.0	-52.44	326.58	1.45	-50.99
CC(C)CCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024351898	0	42	-1.0	-43.48	366.01	3.13	-40.35
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C(C)(C)C	REAL300024351899	0	43	-1.0	-42.74	326.96	0.85	-41.89
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C(C)(C)C	REAL300024351899	1	44	0.0	-67.25	328.19	2.70	-64.55
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C(C)(C)C	REAL300024351899	1	44	0.0	-67.25	327.74	2.70	-64.55
O=C(CSC1=NNC(=O)[N-]1)NCC1=NN2CCCCC2=C1	REAL300024351900	0	36	-1.0	-46.63	318.55	0.16	-46.47
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NN2CCCCC2=C1	REAL300024351901	0	39	-1.0	-46.03	338.07	1.06	-44.97
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2)C1C1=CC=CN=C1	REAL300024351902	0	39	-1.0	-47.57	340.75	3.52	-44.05
O=C(CSC1=NNC(=O)[N-]1)NCCN=S1(=O)CCCC1	REAL300024351903	0	36	-1.0	-54.84	327.77	-3.29	-58.13
CC1=CC2=C(NC(=O)CSC3=NNC(=O)[N-]3)N=CC=C2C=C1	REAL300024351904	0	34	-1.0	-48.98	308.43	3.43	-45.55
CCCCC1CCC(C2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=NN2)CC1	REAL300024351905	0	51	-1.0	-43.58	413.13	4.78	-38.80
CC(CO)(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024351906	0	36	-1.0	-44.04	310.95	-1.09	-45.13
COC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300024351907	0	42	-1.0	-47.52	384.21	4.79	-42.73
COC(=O)[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1CCCC2	REAL300024351908	0	42	-1.0	-48.06	346.39	3.10	-44.96
COC1=C(C)C=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024351909	0	36	-1.0	-44.29	323.89	0.96	-43.33
CC(C)(C)N1N=NC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351910	0	36	-1.0	-45.92	327.31	-1.38	-47.30
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCC(F)(F)CC1	REAL300024351911	0	38	-1.0	-46.27	324.61	2.15	-44.12
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCO1	REAL300024351912	0	39	-1.0	-42.38	320.00	0.77	-41.61
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC(Cl)=C1OC	REAL300024351913	0	34	-1.0	-46.43	326.56	0.58	-45.85
COC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1=CC=CC=C1	REAL300024351914	0	42	-1.0	-45.21	366.86	4.85	-40.36
CC(NC(=S)NNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024351915	0	35	-1.0	-46.77	324.23	1.09	-45.68
CC1=CC=CC=C1CCC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024351916	0	42	-1.0	-44.96	367.11	3.74	-41.22
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Br)C(CO)=C1	REAL300024351917	0	30	-1.0	-44.02	298.18	-1.19	-45.21
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OCC1=CC=CC=C1	REAL300024351918	0	38	-1.0	-43.89	349.84	2.76	-41.13
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C1)C1=CC(Cl)=CC=C1N2	REAL300024351919	0	37	-1.0	-47.03	339.21	3.69	-43.34
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(C2=CC=CC3=CC=CC=C32)C1	REAL300024351920	0	40	-1.0	-47.96	350.65	1.67	-46.29
O=C(CSC1=NNC(=O)[N-]1)NCCCC1=C(Cl)C=CC=C1Cl	REAL300024351921	0	35	-1.0	-44.58	345.06	3.25	-41.33
COC(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300024351922	0	32	-1.0	-48.00	315.48	1.77	-46.23
O=C(CSC1=NNC(=O)[N-]1)N1CCOC[C@@H]1CC1=CC=CC=C1	REAL300024351923	0	40	-1.0	-43.03	335.75	2.82	-40.21
CCOC(=O)CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024351924	0	40	-1.0	-45.71	344.35	3.19	-42.52
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@@H+]2CCCCC12	REAL300024351925	0	42	0.0	-66.98	330.64	2.84	-64.14
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@H+]2CCCCC12	REAL300024351925	1	42	0.0	-66.83	334.86	2.33	-64.50
COCCN(CC(O)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351926	0	36	-1.0	-44.51	331.28	-1.94	-46.45
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300024351927	0	36	-1.0	-47.55	333.34	2.47	-45.08
CC[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1F	REAL300024351928	0	35	-1.0	-45.01	309.71	2.38	-42.63
CC1=CN=C(OC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N=C1	REAL300024351929	0	41	-1.0	-48.92	353.97	-0.19	-49.11
CCC1=CSC(CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024351930	0	44	-1.0	-45.01	377.93	3.72	-41.29
COC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300024351931	0	39	-1.0	-47.15	339.70	2.87	-44.28
CC(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351932	0	45	-1.0	-45.25	390.40	5.17	-40.08
COC1=CC=CC2=C1OCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351933	0	38	-1.0	-46.89	327.71	0.64	-46.25
O=C(CSC1=NNC(=O)[N-]1)NC1=NN(C2=CC=C(F)C=N2)C=C1	REAL300024351934	0	32	-1.0	-44.32	309.45	2.26	-42.06
CC(C)[N@H+](C)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351935	0	44	0.0	-67.69	360.95	3.81	-63.88
CC(C)[N@@H+](C)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024351935	1	44	0.0	-67.06	360.90	3.82	-63.24
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCC2=CC=C(F)C=C2F)CC1	REAL300024351936	0	45	-1.0	-45.21	384.07	6.17	-39.04
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NC3=NC=CC=C3C=C2)CC1	REAL300024351937	0	43	-1.0	-51.77	364.91	3.85	-47.92
CCC(C)(C)[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351938	0	44	0.0	-65.18	331.76	2.73	-62.45
CCC(C)(C)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351938	1	43	-1.0	-42.35	330.24	0.68	-41.67
O=C(CSC1=NNC(=O)[N-]1)NC1CC(C2CCCCC2)C1	REAL300024351939	0	42	-1.0	-42.79	344.19	3.16	-39.63
CC(C)(C)O[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351940	0	39	-1.0	-43.39	331.30	0.42	-42.97
CC(C)(C)OC(=O)CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024351941	0	44	-1.0	-46.97	361.02	4.22	-42.75
CC(C)CCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024351942	0	42	-1.0	-41.74	364.89	3.17	-38.57
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CC=C2C2=CC=CC=C21	REAL300024351943	0	37	-1.0	-45.72	322.11	5.53	-40.19
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CC1CCCC1	REAL300024351944	0	42	-1.0	-44.57	332.90	4.05	-40.52
O=C(CSC1=NNC(=O)[N-]1)NC(C1CC1)C1CCCCO1	REAL300024351945	0	40	-1.0	-42.29	329.18	2.08	-40.21
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OCC1=CC=CC=C1	REAL300024351946	0	38	-1.0	-43.87	349.84	2.76	-41.11
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2=CC=CC=C2NC1=O	REAL300024351947	0	37	-1.0	-50.91	324.58	0.51	-50.40
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(OC2CCC2)C1	REAL300024351948	0	40	-1.0	-43.15	333.31	2.39	-40.76
CN1C=NN=C1N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351949	0	37	-1.0	-51.75	317.54	2.94	-48.81
COC1(CO)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351950	0	37	-1.0	-44.93	306.51	-2.26	-47.19
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C2=CC=CC=C2C[C@@H]1O	REAL300024351951	0	34	-1.0	-48.94	308.41	-1.29	-50.23
O=C(CSC1=NNC(=O)[N-]1)NC1=NN(C2=CC=C(F)C=C2)C2=C1CCC2	REAL300024351952	0	40	-1.0	-52.06	362.46	4.95	-47.11
O=C(CSC1=NNC(=O)[N-]1)NC1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300024351953	0	33	-1.0	-44.89	322.67	3.40	-41.49
CC1=CC=C(N2C=CC(NC(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024351954	0	36	-1.0	-46.12	327.34	3.55	-42.57
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CCCCC2)O1	REAL300024351955	0	43	-1.0	-42.06	340.66	2.92	-39.14
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C(C2CC2)C=C1Cl	REAL300024351956	0	37	-1.0	-43.20	339.07	2.82	-40.38
CN1N=CC=C1C1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024351957	0	37	-1.0	-47.03	310.50	-0.22	-47.25
CC(C)(C)OC(=O)N1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351958	0	52	-1.0	-47.56	418.93	2.47	-45.09
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1=CC=C(F)C=C1F	REAL300024351959	0	36	-1.0	-50.51	338.01	2.60	-47.91
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300024351960	0	36	-1.0	-45.54	338.03	3.24	-42.30
N#CC1=CC=CC(C[NH+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024351961	0	46	0.0	-82.87	392.47	4.34	-78.53
N#CC1=CC=CC(CN2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024351961	1	45	-1.0	-47.00	389.40	1.90	-45.10
COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351962	0	38	-1.0	-48.15	347.64	2.83	-45.32
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC2=CC=C(F)C=C21	REAL300024351963	0	39	-1.0	-42.90	322.20	4.86	-38.04
COCCOCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351964	0	45	-1.0	-45.23	374.09	-1.40	-46.63
O=C(CSC1=NNC(=O)[N-]1)NCCCC1CC1(Cl)Cl	REAL300024351965	0	32	-1.0	-44.97	320.09	1.96	-43.01
CCC(C(=O)OC(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351966	0	43	-1.0	-44.51	355.83	3.73	-40.78
O=C(CSC1=NNC(=O)[N-]1)NCC1=CN(C2CCC2)N=N1	REAL300024351967	0	35	-1.0	-48.13	316.13	-0.69	-48.82
CC1=NN=C(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N1C	REAL300024351968	0	40	-1.0	-52.12	338.58	2.76	-49.36
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=C2OC(F)(F)OC2=C1	REAL300024351969	0	35	-1.0	-48.07	335.06	0.72	-47.35
CC(C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351970	0	48	-1.0	-49.42	413.49	2.01	-47.41
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)CC2=CC=CC(F)=C21	REAL300024351971	0	37	-1.0	-49.40	320.34	0.84	-48.56
N#CC1=CC=CC2=C1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351972	0	31	-1.0	-48.19	297.28	2.75	-45.44
CC1=CC=CC=C1N1N=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1C(F)F	REAL300024351973	0	39	-1.0	-46.85	351.97	3.50	-43.35
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=CC=C1NC1=CC=CC=C1	REAL300024351974	0	37	-1.0	-45.84	328.84	1.48	-44.36
O=C(CSC1=NNC(=O)[N-]1)NC1=C[NH+]=CC=C1NC1=CC=CC=C1	REAL300024351974	1	38	0.0	-57.86	332.19	1.96	-55.90
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2N1	REAL300024351975	0	33	-1.0	-48.80	298.53	1.34	-47.46
COC(=O)CC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024351976	0	46	-1.0	-49.48	399.57	2.65	-46.83
CCOC(=O)CN1N=C(C)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351977	0	38	-1.0	-49.60	348.26	1.98	-47.62
CN(C(=O)CSC1=NNC(=O)[N-]1)C(C1=NC=CN1)C1=CC=C(F)C=C1	REAL300024351978	0	39	-1.0	-45.81	347.29	3.67	-42.14
CC1=CC(=O)NC(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351979	0	37	-1.0	-45.96	326.22	-1.23	-47.19
CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351980	0	45	-1.0	-45.21	373.27	2.10	-43.11
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(C2=CN=CO2)=C1	REAL300024351981	0	35	-1.0	-47.75	328.55	-0.74	-48.49
CC1=NC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=NN1	REAL300024351982	0	37	-1.0	-48.53	322.27	1.01	-47.52
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC(F)=CC(F)=C1F	REAL300024351983	0	28	-1.0	-42.85	282.94	0.55	-42.30
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CC1N1CCOCC1	REAL300024351984	0	45	-1.0	-43.43	360.23	-0.59	-44.02
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CC1[NH+]1CCOCC1	REAL300024351984	1	46	0.0	-68.20	362.57	1.15	-67.05
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC=C1)C1(CO)CC=CC1	REAL300024351985	0	44	-1.0	-44.43	366.48	1.94	-42.49
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC(=O)NN2)C1	REAL300024351986	0	34	-1.0	-52.87	307.94	-1.65	-54.52
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC(=O)NC(=O)N2)C1	REAL300024351987	0	36	-1.0	-51.60	324.90	-1.87	-53.47
CC1=CC=CC2=NC(CCNC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300024351988	0	38	-1.0	-52.97	342.36	2.58	-50.39
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=C(F)C=C2O1	REAL300024351989	0	37	-1.0	-43.36	338.06	3.06	-40.30
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(=O)NC(=S)N1	REAL300024351990	0	29	-1.0	-50.92	294.90	-2.40	-53.32
COCCN(CCOC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351991	0	45	-1.0	-45.90	374.68	-1.90	-47.80
COCC[NH+](CCOC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024351991	1	46	0.0	-68.85	374.53	0.35	-68.50
CC(C)C1=NNC(CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024351992	0	47	-1.0	-48.77	390.56	3.17	-45.60
CC(C)C1=NC(CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=NN1	REAL300024351992	1	47	-1.0	-47.09	388.43	3.34	-43.75
CC(C)C1=NN=C(CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N1	REAL300024351992	1	47	-1.0	-49.58	388.99	3.58	-46.00
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C2CCCCC2)N1C	REAL300024351993	0	46	-1.0	-62.67	379.29	2.11	-60.56
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]2O[C@@H](C3=CC=CC=C3)C[C@H]21	REAL300024351994	0	44	-1.0	-45.47	351.50	3.50	-41.97
CC(C)(C)OC(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351995	0	52	-1.0	-48.20	417.27	2.06	-46.14
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300024351996	0	45	0.0	-72.72	370.27	3.70	-69.02
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300024351996	1	45	0.0	-71.87	368.95	3.70	-68.17
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC2CCC1CC2	REAL300024351997	0	42	-1.0	-43.43	331.31	2.74	-40.69
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300024351998	0	39	-1.0	-48.64	346.24	3.05	-45.59
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(=O)N2C=CC=CC2=N1	REAL300024351999	0	34	-1.0	-51.96	318.83	0.63	-51.33
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=CC=CC=C2)CC1	REAL300024352000	0	41	-1.0	-43.27	344.80	2.24	-41.03
CSC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C	REAL300024352001	0	33	-1.0	-43.92	306.83	2.32	-41.60
CC(C)(C)OC(=O)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024352002	0	48	-1.0	-46.31	403.08	4.71	-41.60
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2=CC(F)=C(F)C=C21	REAL300024352003	0	31	-1.0	-44.51	289.09	1.76	-42.75
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300024352004	0	38	0.0	-69.15	336.98	1.77	-67.38
NC1=NN=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024352005	0	36	-1.0	-51.03	317.87	-5.07	-56.10
C[C@@H]1CN(C2=CC(F)=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)C[C@H](C)O1	REAL300024352006	0	45	-1.0	-45.40	380.66	1.13	-44.27
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC(OC)C1	REAL300024352007	0	45	-1.0	-47.73	377.92	1.33	-46.40
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CCCOC1	REAL300024352008	0	37	-1.0	-46.03	313.74	-3.40	-49.43
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1OCC1=CC=CC=C1	REAL300024352009	0	40	-1.0	-45.15	357.64	4.13	-41.02
CN1C(=O)C=CC2=C1CCCC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352010	0	39	-1.0	-54.46	328.09	1.07	-53.39
CC(C)(C)OC(=O)N1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352011	0	43	-1.0	-47.06	352.08	3.21	-43.85
COCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024352012	0	44	-1.0	-43.11	351.19	-0.15	-43.26
COCC[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024352012	1	45	0.0	-66.92	351.27	2.00	-64.92
COCC[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024352012	1	45	0.0	-66.90	351.22	1.98	-64.92
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC(C2=CC=CC=C2)O1	REAL300024352013	0	40	-1.0	-45.25	350.99	2.01	-43.24
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CC2(F)F)C1	REAL300024352014	0	33	-1.0	-43.62	295.50	2.46	-41.16
COC1=CC=C(Cl)C2=C1CCCC2N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352015	0	43	-1.0	-45.55	360.82	3.97	-41.58
CC1CC(NC(=O)OC(C)(C)C)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352016	0	49	-1.0	-45.62	393.30	1.42	-44.20
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C2=CC=CC=C2C[C@H]1F	REAL300024352017	0	33	-1.0	-44.88	301.96	2.34	-42.54
CS(=O)(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352018	0	34	-1.0	-51.56	316.21	-3.88	-55.44
CCC1=CC(Br)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352019	0	32	-1.0	-42.13	307.18	2.98	-39.15
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC(F)=CC=C21	REAL300024352020	0	36	-1.0	-45.57	315.31	3.87	-41.70
CC1=CC=C2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024352021	0	36	-1.0	-43.21	318.74	2.76	-40.45
CCN1C=C(CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C)C=N1	REAL300024352022	0	41	-1.0	-45.18	347.05	2.82	-42.36
O=C(CSC1=NNC(=O)[N-]1)NCC1(CO)CCC2=CC=CC=C21	REAL300024352023	0	40	-1.0	-46.59	341.74	0.36	-46.23
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300024352024	0	51	0.0	-65.60	385.10	5.89	-59.71
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300024352024	1	51	0.0	-65.07	392.04	6.23	-58.84
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C(C)N1CC1=CC=CC=C1	REAL300024352024	1	50	-1.0	-43.01	393.79	4.50	-38.51
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC(C(F)(F)F)C2)C1	REAL300024352025	0	33	-1.0	-45.85	309.08	2.28	-43.57
COC1=CC=CC(SC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)N=C2)=C1	REAL300024352026	0	40	-1.0	-51.06	374.34	3.78	-47.28
O=C(CSC1=NNC(=O)[N-]1)NC(C1CC1)C1CCOCC1	REAL300024352027	0	40	-1.0	-44.59	331.40	1.06	-43.53
COC(=O)C1=COC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024352028	0	31	-1.0	-46.97	306.46	-3.82	-50.79
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300024352029	0	46	0.0	-73.23	393.45	5.11	-68.12
CN1C=CN=C1C(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352030	0	42	-1.0	-47.94	372.84	3.81	-44.13
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1SC1=NC=CC=N1	REAL300024352031	0	35	-1.0	-45.95	337.07	2.54	-43.41
CNC(=O)C1(C(F)(F)F)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352032	0	36	-1.0	-45.56	328.77	-0.62	-46.18
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=CC=C2Cl)CCC1	REAL300024352033	0	36	-1.0	-43.26	326.88	2.91	-40.35
CC1=CC=CC=C1C1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024352034	0	39	-1.0	-44.99	328.80	3.38	-41.61
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=CC=C2Br)CCC1	REAL300024352035	0	36	-1.0	-43.25	330.08	3.07	-40.18
CS[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352036	0	36	-1.0	-44.89	317.17	1.72	-43.17
CC1=CC=CC=C1C(NC(=O)CSC1=NNC(=O)[N-]1)C1CCC(C)CC1	REAL300024352037	0	51	-1.0	-43.59	404.64	6.67	-36.92
CC1=CC(OC2=CC=CC=C2C#N)=NC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352038	0	40	-1.0	-52.20	373.71	2.16	-50.04
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300024352039	0	39	-1.0	-47.88	365.33	4.33	-43.55
COC(=O)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1OC	REAL300024352040	0	36	-1.0	-45.28	331.16	1.57	-43.71
CCCN(CCC)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352041	0	46	-1.0	-44.78	386.02	4.55	-40.23
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2CCCCCC2=C1	REAL300024352042	0	39	-1.0	-44.92	326.00	3.72	-41.20
CC1=CC(C)=C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024352043	0	37	-1.0	-45.11	317.56	3.05	-42.06
CN1N=CC=C1C(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024352044	0	44	-1.0	-45.69	382.70	1.45	-44.24
COC(=O)C(C(C)O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352045	0	35	-1.0	-44.72	305.70	-0.79	-45.51
O=C(CSC1=NNC(=O)[N-]1)NCC1=C2SC=CC2=CC=C1	REAL300024352046	0	32	-1.0	-45.01	310.19	2.18	-42.83
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(O)(C2=CC=C(Cl)C=C2)C1	REAL300024352047	0	40	-1.0	-45.38	351.44	1.95	-43.43
CC1(CC2=CC=CC(Cl)=C2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352048	0	42	-1.0	-46.14	362.24	5.46	-40.68
C[NH+](C)CCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1=O	REAL300024352049	0	42	0.0	-69.76	348.34	1.36	-68.40
CC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1F	REAL300024352050	0	35	-1.0	-45.66	318.84	3.08	-42.58
CC(C)(C)OC(=O)CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024352051	0	44	-1.0	-44.03	365.51	2.71	-41.32
CN(C)C1=CC(F)=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352052	0	34	-1.0	-46.33	306.77	1.22	-45.11
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCO[C@H](C2=CC=NC=C2)C1	REAL300024352053	0	39	-1.0	-45.23	342.13	0.22	-45.01
COC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H](C)O1	REAL300024352054	0	36	-1.0	-44.85	319.77	0.82	-44.03
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(OC2=CC=CC=C2F)=C1	REAL300024352055	0	40	-1.0	-48.08	370.56	3.84	-44.24
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=CC=C2F)CCC1	REAL300024352056	0	39	-1.0	-44.74	339.56	3.20	-41.54
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300024352057	0	36	-1.0	-47.53	330.08	2.40	-45.13
CC(O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1F	REAL300024352058	0	36	-1.0	-47.38	322.33	-0.41	-47.79
CC(C)(C)OC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1	REAL300024352059	0	50	-1.0	-43.63	381.57	5.00	-38.63
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC2=CC=C(Cl)C=C21	REAL300024352060	0	39	-1.0	-42.41	332.52	5.30	-37.11
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1NC1CCC1	REAL300024352061	0	38	-1.0	-44.08	327.02	2.03	-42.05
CC(C)(C)OC(=O)C(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024352062	0	50	-1.0	-46.27	409.56	5.51	-40.76
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC=CC2)C1C1=CC=CC=C1	REAL300024352063	0	41	-1.0	-46.35	348.47	5.29	-41.06
CC(C)C[N@H+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352064	0	43	0.0	-69.33	350.15	2.03	-67.30
CC(C)C[N@@H+](C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352064	1	43	0.0	-69.33	350.15	2.03	-67.30
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300024352065	0	46	-1.0	-44.13	358.92	5.62	-38.51
COC1=CC=C(Cl)C(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024352066	0	42	-1.0	-44.92	370.06	2.27	-42.65
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CCNC(=O)OC(C)(C)C	REAL300024352067	0	55	-1.0	-48.26	422.62	2.29	-45.97
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2CC[N@H+](CC3=CC=CC=C3)CC21	REAL300024352068	0	50	0.0	-58.90	384.04	3.83	-55.07
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2CC[N@@H+](CC3=CC=CC=C3)CC21	REAL300024352068	1	50	0.0	-58.76	394.93	4.38	-54.38
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2CCN(CC3=CC=CC=C3)CC21	REAL300024352068	1	49	-1.0	-43.28	392.49	2.17	-41.11
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC(Cl)=C1OC	REAL300024352069	0	34	-1.0	-46.43	326.56	0.58	-45.85
CC1=C(C#N)C=C2NN=C(NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024352070	0	33	-1.0	-49.08	316.97	1.51	-47.57
CC1=C(CN(C)C(=O)CSC2=NNC(=O)[N-]2)OC2=C(C)C=CC=C12	REAL300024352071	0	41	-1.0	-45.78	357.90	4.81	-40.97
CCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC2=C(C1)SC=N2	REAL300024352072	0	44	-1.0	-45.36	373.99	4.19	-41.17
CC1=CC=C(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C=C1	REAL300024352073	0	39	-1.0	-45.51	332.54	3.43	-42.08
COC1=CC=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)N=C1	REAL300024352074	0	42	-1.0	-45.83	353.34	1.92	-43.91
COC1=CC=C(N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352075	0	44	-1.0	-47.53	372.97	2.97	-44.56
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC(F)=CC=C2O1	REAL300024352076	0	40	-1.0	-46.93	341.86	1.90	-45.03
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CC2=CC=CC=C2)C1	REAL300024352077	0	44	-1.0	-42.90	360.64	2.67	-40.23
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CC2=CC=CC=C2)C1	REAL300024352077	1	45	0.0	-69.10	356.03	4.49	-64.61
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CC2=CC=CC=C2)C1	REAL300024352077	1	45	0.0	-69.02	355.93	4.48	-64.54
O=C(CSC1=NNC(=O)[N-]1)NC1=CSC(C2=CC=CC=C2)=N1	REAL300024352078	0	32	-1.0	-49.97	314.41	2.91	-47.06
CC(C)(C)OC(=O)CC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352079	0	47	-1.0	-46.15	371.58	5.04	-41.11
CC(C)(C)OC(=O)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352080	0	41	-1.0	-51.81	357.55	3.45	-48.36
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2(CCCC2)O1	REAL300024352081	0	40	-1.0	-42.36	324.95	1.91	-40.45
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC(Cl)=CC=C2Cl)CC1	REAL300024352082	0	38	-1.0	-43.13	357.31	3.49	-39.64
CC(C)OC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352083	0	39	-1.0	-43.10	321.56	1.56	-41.54
NS(=O)(=O)C1=CC=C(F)C(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352084	0	34	-1.0	-50.44	333.87	-4.18	-54.62
CC(C)(C)OC(=O)NCC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352085	0	49	-1.0	-48.45	411.34	0.58	-47.87
CCOC(=O)C(CC1(OC)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352086	0	45	-1.0	-43.03	372.69	2.56	-40.47
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC2=CC=CC=C21	REAL300024352087	0	39	-1.0	-42.51	315.83	4.79	-37.72
COC(=O)C1CC(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352088	0	36	-1.0	-45.24	317.48	-1.70	-46.94
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2COC(=O)N[C@@H]2C1	REAL300024352089	0	35	-1.0	-49.36	301.43	-1.67	-51.03
COC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C(Br)C=C1O	REAL300024352090	0	34	-1.0	-45.39	332.41	-1.43	-46.82
CC1=CC=C2NC(C3=CC=CC=C3NC(=O)CSC3=NNC(=O)[N-]3)=NC2=C1	REAL300024352091	0	42	-1.0	-49.90	370.29	4.79	-45.11
CC1=CC=C2N=C(C3=CC=CC=C3NC(=O)CSC3=NNC(=O)[N-]3)NC2=C1	REAL300024352091	1	42	-1.0	-49.51	370.30	4.79	-44.72
O=C(CSC1=NNC(=O)[N-]1)N1CCN2C(CC3CC3)=NN=C2C1	REAL300024352092	0	39	-1.0	-49.14	339.98	3.68	-45.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC1)C(F)(F)C2(F)F	REAL300024352093	0	33	-1.0	-42.57	306.03	2.63	-39.94
O=C(CSC1=NNC(=O)[N-]1)N1CCN2C(CC3=CC=CC=C3F)=NN=C2C1	REAL300024352094	0	42	-1.0	-53.56	373.03	5.17	-48.39
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(C(F)F)=CC=C1F	REAL300024352095	0	29	-1.0	-43.93	285.12	1.71	-42.22
CC1=CC(OC2=CC=CC(F)=C2NC(=O)CSC2=NNC(=O)[N-]2)=CC(C)=C1	REAL300024352096	0	43	-1.0	-47.04	382.67	5.07	-41.97
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=NNC=N2)CC1	REAL300024352097	0	37	-1.0	-48.19	320.85	-0.59	-48.78
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=NN=CN2)CC1	REAL300024352097	1	37	-1.0	-50.01	319.67	-0.64	-50.65
CN1C=C([C@@H]2OCCC[C@H]2C(=O)NNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024352098	0	44	-1.0	-46.53	381.42	-1.16	-47.69
CC1=CC=C(N(CC(C)C)C(=O)CSC2=NNC(=O)[N-]2)C(C)=C1	REAL300024352099	0	44	-1.0	-44.06	355.12	5.82	-38.24
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC=C2COCCC2=N1	REAL300024352100	0	35	-1.0	-46.73	317.84	-1.94	-48.67
CCC(OCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024352101	0	42	-1.0	-44.52	370.06	2.52	-42.00
CC(C)(C)OC(=O)CN(CC1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352102	0	44	-1.0	-46.60	374.77	4.93	-41.67
COC1=CC=CC(C(CO)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024352103	0	37	-1.0	-45.24	329.76	-2.20	-47.44
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CC(F)(F)C2	REAL300024352104	0	36	-1.0	-42.67	298.50	2.80	-39.87
CN(C)C(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352105	0	38	-1.0	-48.50	315.32	0.26	-48.24
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=C(F)C=CC=C2Cl)C1	REAL300024352106	0	37	-1.0	-46.02	340.43	2.92	-43.10
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=NC(OC2=CC=CC=C2)=C1	REAL300024352107	0	39	-1.0	-46.75	360.68	1.20	-45.55
CC[N@H+](CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024352108	0	50	0.0	-68.32	382.30	3.29	-65.03
CC[N@@H+](CCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024352108	1	50	0.0	-68.31	383.20	3.33	-64.98
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(OC2=CC=C(F)C=C2)=N1	REAL300024352109	0	39	-1.0	-46.72	367.18	1.19	-45.53
COC(=O)C(CNC(=O)CSC1=NNC(=O)[N-]1)CC1CC1	REAL300024352110	0	38	-1.0	-46.46	336.18	1.82	-44.64
CC(C)(C)OC(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCCC2	REAL300024352111	0	53	-1.0	-43.41	415.40	3.28	-40.13
CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352112	0	44	-1.0	-45.00	367.38	2.70	-42.30
CC1=CC=CC2=NC(CCNC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300024352113	0	38	-1.0	-52.97	342.36	2.58	-50.39
CCCCC[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024352114	0	53	0.0	-69.88	419.37	5.07	-64.81
CCCCC[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024352114	1	53	0.0	-69.85	419.62	5.08	-64.77
CC1=CC=CC=C1[C@@H]1C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352115	0	36	-1.0	-44.73	319.38	2.79	-41.94
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=CC=C1CC1=CC=CC=C1	REAL300024352116	0	41	-1.0	-44.87	359.17	4.88	-39.99
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=CC=C1OC1=CC=CC=C1	REAL300024352117	0	39	-1.0	-45.95	352.86	3.28	-42.67
CC1=CC=CC(Br)=C1NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352118	0	31	-1.0	-43.77	300.85	2.09	-41.68
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@@H]1C(F)(F)F	REAL300024352119	0	35	-1.0	-44.44	305.64	2.41	-42.03
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)CSC1=CC=CC=C1[N+](=O)[O-]	REAL300024352120	0	36	-1.0	-54.99	353.52	1.27	-53.72
CN(C(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C1=CC=CC=C1	REAL300024352121	0	38	-1.0	-45.08	316.22	4.19	-40.89
O=C(CSC1=NNC(=O)[N-]1)NC1=CC2=C(CCCC2)NC1=O	REAL300024352122	0	36	-1.0	-55.02	316.50	1.22	-53.80
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CC=C2C[C@@H]1C(=O)NC1CC1	REAL300024352123	0	44	-1.0	-47.19	371.88	4.05	-43.14
CC1(C2=CC=CC(F)=C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352124	0	39	-1.0	-45.06	336.77	4.14	-40.92
CCOC(=O)C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024352125	0	46	-1.0	-44.77	378.68	2.75	-42.02
CCCOC(=O)C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)C	REAL300024352126	0	49	-1.0	-44.60	400.18	3.55	-41.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC2(F)F)CC1	REAL300024352127	0	33	-1.0	-45.33	295.08	2.50	-42.83
CC1CC1C1=NOC(CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024352128	0	47	-1.0	-47.60	395.66	3.33	-44.27
CC(CSC1=CC=CC=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352129	0	39	-1.0	-47.79	347.89	5.03	-42.76
CCC1COC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352130	0	39	-1.0	-41.85	313.12	1.41	-40.44
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C(CC)CO1	REAL300024352131	0	39	-1.0	-42.44	323.87	1.96	-40.48
CN1N=C(NC(=O)CSC2=NNC(=O)[N-]2)N=C1C(C)(C)C	REAL300024352132	0	37	-1.0	-50.20	319.99	2.83	-47.37
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CCCCC2)CC1	REAL300024352133	0	45	-1.0	-42.93	349.12	4.64	-38.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CN2C=NN=C2)CC1	REAL300024352134	0	38	-1.0	-52.08	325.45	4.51	-47.57
COCC1=NN=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN12	REAL300024352135	0	36	-1.0	-50.03	320.51	0.49	-49.54
O=C(CSC1=NNC(=O)[N-]1)N1CCSC(C2=CC=CC=C2)C1	REAL300024352136	0	37	-1.0	-43.64	330.02	4.40	-39.24
CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024352137	0	53	-1.0	-49.21	422.43	2.62	-46.59
CN(CC(O)C1=CC=C(C#N)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352138	0	37	-1.0	-49.16	340.08	1.10	-48.06
COC(=O)CC1=CC=C(NNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352139	0	37	-1.0	-47.67	341.72	1.80	-45.87
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300024352140	0	31	-1.0	-43.56	316.63	1.77	-41.79
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)C1CC2CCC1O2	REAL300024352141	0	35	-1.0	-47.43	309.43	-2.26	-49.69
NC(=O)CN1C=C(NC(=O)CSC2=NNC(=O)[N-]2)C=CC1=O	REAL300024352142	0	33	-1.0	-59.53	314.24	-3.19	-62.72
COC1=CC=C(CC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352143	0	46	-1.0	-44.01	373.72	4.52	-39.49
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CC1=CC=CC=C1F	REAL300024352144	0	42	-1.0	-45.01	350.31	5.28	-39.73
CC(CO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352145	0	39	-1.0	-45.46	317.99	-0.53	-45.99
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C=C(C3=CC=CC=C3)O2)C1	REAL300024352146	0	40	-1.0	-45.65	350.75	5.10	-40.55
C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352147	0	44	-1.0	-49.77	361.17	3.75	-46.02
CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C(F)F	REAL300024352148	0	44	-1.0	-45.18	376.08	3.62	-41.56
CN(CC(O)C1=CC=CC(C#N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352149	0	37	-1.0	-47.05	338.58	1.68	-45.37
CC1CC(=O)N(C)C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C21	REAL300024353063	0	40	-1.0	-47.91	344.60	2.14	-45.77
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O=C(CSC1=NNC(=O)[N-]1)NCC1=C2N=CNC2=CC=C1F	REAL300024353070	0	32	-1.0	-51.43	305.07	0.49	-50.94
CC1=CC=CC=C1C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1	REAL300024353071	0	41	-1.0	-44.20	339.54	1.69	-42.51
CC1=CC=CC=C1C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[NH2+]1	REAL300024353071	1	42	0.0	-74.30	342.51	3.00	-71.30
CC1=CC=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024353072	0	46	-1.0	-48.22	388.77	3.18	-45.04
COC1=CC=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1F	REAL300024353073	0	40	-1.0	-47.52	350.34	3.07	-44.45
COCCNS(=O)(=O)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353074	0	41	-1.0	-49.44	379.15	-3.16	-52.60
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CN(C)S(=O)(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353077	0	36	-1.0	-51.11	335.02	-4.33	-55.44
CCOC(=O)C1=NC(NC(=O)CSC2=NNC(=O)[N-]2)=CN1	REAL300024353078	0	32	-1.0	-43.55	305.53	-0.07	-43.62
COCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024353079	0	37	-1.0	-43.80	312.38	-0.31	-44.11
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CN(CCC1=CC=CC(C#N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353081	0	36	-1.0	-49.92	334.15	4.14	-45.78
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CC1=NOC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCOCC2)=C1	REAL300024353085	0	39	-1.0	-48.76	333.45	0.05	-48.71
N#CCC1=CC=CC2=C1CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353086	0	37	-1.0	-51.22	327.96	4.19	-47.03
NC(=O)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024353087	0	34	-1.0	-50.49	300.66	-2.99	-53.48
CS(=O)(=O)NCC1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353088	0	38	-1.0	-48.97	334.28	-4.63	-53.60
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC(F)=CC(Br)=C2C1	REAL300024353089	0	33	-1.0	-43.07	315.23	3.74	-39.33
CC1=CC(CCNC(=O)CSC2=NNC(=O)[N-]2)=C(C)N1C1=CC=CC=C1	REAL300024353090	0	46	-1.0	-47.18	401.93	5.60	-41.58
CN(C)S(=O)(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353091	0	36	-1.0	-51.11	335.02	-4.33	-55.44
CCC1=CC=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024353092	0	45	-1.0	-44.05	372.02	5.95	-38.10
COCC(C)N(C(=O)CSC1=NNC(=O)[N-]1)C1CCC2=CC=CC=C21	REAL300024353093	0	46	-1.0	-46.19	376.56	4.42	-41.77
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CCC1=CC=CC=C1)C(F)F	REAL300024353094	0	41	-1.0	-45.60	359.86	5.64	-39.96
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C2CCC2)C1=O	REAL300024353095	0	37	-1.0	-54.71	319.97	0.05	-54.66
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=C(F)C=CC=C2F)CCC1	REAL300024353096	0	36	-1.0	-45.20	318.32	2.62	-42.58
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC=CC(F)=C2)CC1	REAL300024353097	0	38	-1.0	-44.67	326.61	2.04	-42.63
COC1=CC=CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN2)=C1	REAL300024353098	0	42	-1.0	-47.06	354.27	0.43	-46.63
COC1=CC=C(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C(OC)=C1	REAL300024353099	0	46	-1.0	-45.16	383.39	0.89	-44.27
CC1=CN=C2NCCN(C(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024353100	0	34	-1.0	-45.57	296.95	0.77	-44.80
CCC1([NH+]2CCOCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353101	0	49	0.0	-68.29	351.49	1.98	-66.31
O=C(CSC1=NNC(=O)[N-]1)NC(CCO)C1=CC(Cl)=CC(Cl)=C1	REAL300024353102	0	36	-1.0	-42.83	350.21	-0.01	-42.84
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2=CC=CC=C21	REAL300024353103	0	39	-1.0	-45.33	341.72	3.71	-41.62
CCCN(C)C1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353104	0	40	-1.0	-42.83	342.13	2.00	-40.83
COC1=CC=CC(C(O)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024353105	0	47	-1.0	-47.66	386.31	1.46	-46.20
CN(CC(=O)NC1=CC=C2OCCOC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353106	0	42	-1.0	-57.25	370.29	0.77	-56.48
CC1=NOC([C@@H]2OCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353107	0	35	-1.0	-46.04	316.90	-2.93	-48.97
COC1=CC=C(C(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C=N1	REAL300024353108	0	39	-1.0	-44.38	343.50	-0.20	-44.58
CCCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1OC	REAL300024353109	0	40	-1.0	-45.66	349.95	1.65	-44.01
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](O)[C@H]1C1=CC=C(Br)C=C1	REAL300024353110	0	37	-1.0	-47.26	345.42	1.84	-45.42
O=C(CSC1=NNC(=O)[N-]1)N1CC(CC2=CC=CC=C2Br)C1	REAL300024353111	0	36	-1.0	-46.06	340.93	4.41	-41.65
O=C(CSC1=NNC(=O)[N-]1)NCC1=CSC(C(F)(F)F)=C1	REAL300024353112	0	29	-1.0	-43.47	304.57	0.98	-42.49
O=C(CNC(=O)CSC1=NNC(=O)[N-]1)NC1=CC=C2OCCOC2=C1	REAL300024353113	0	39	-1.0	-51.05	351.36	-1.61	-52.66
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CNC2=CC(F)=C(Cl)C=C12	REAL300024353114	0	36	-1.0	-49.05	350.00	2.23	-46.82
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353115	0	43	-1.0	-50.28	364.37	0.40	-49.88
CC(C1=CC=CC=C1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353116	0	44	-1.0	-43.00	361.39	3.18	-39.82
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353116	1	45	0.0	-67.97	362.04	5.08	-62.89
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(CC2=CC=NC=C2)CCO1	REAL300024353117	0	44	-1.0	-46.00	377.53	-1.74	-47.74
O=C(CSC1=NNC(=O)[N-]1)N1CC(CC2=CC=CS2)C1	REAL300024353118	0	33	-1.0	-45.46	314.23	3.05	-42.41
CC1=CC=C(N(CC2CC2)C(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024353119	0	39	-1.0	-43.01	349.86	5.67	-37.34
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(SC(F)(F)F)=C1	REAL300024353120	0	30	-1.0	-44.57	304.53	2.19	-42.38
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1CC(F)(F)F	REAL300024353121	0	35	-1.0	-44.99	325.53	2.60	-42.39
CN1C=C(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN2)C=N1	REAL300024353122	0	38	-1.0	-47.06	329.17	-1.13	-48.19
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=NC(C2=CC=CC=C2)=C1	REAL300024353123	0	38	-1.0	-45.56	345.71	2.73	-42.83
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300024353124	0	44	-1.0	-45.20	369.41	4.93	-40.27
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024353125	0	36	-1.0	-43.77	308.90	3.80	-39.97
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCSCC2)CC1	REAL300024353126	0	40	-1.0	-43.47	317.78	3.16	-40.31
CC1([NH+]2CCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353127	0	45	0.0	-65.75	337.21	3.18	-62.57
CCOC(=O)C(CC)(CC)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353128	0	43	-1.0	-47.54	358.82	2.10	-45.44
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353129	0	35	-1.0	-44.61	309.23	1.11	-43.50
COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353130	0	38	-1.0	-45.61	346.60	-1.88	-47.49
N#CC1=CC=CC=C1N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353131	0	42	-1.0	-47.80	368.99	2.32	-45.48
CCC1([NH+](C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353132	0	44	0.0	-68.50	318.58	2.56	-65.94
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
CC1(C)CC(=O)C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2O1	REAL300024353134	0	39	-1.0	-45.06	341.34	1.82	-43.24
COC(=O)C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=NC(Cl)=C1	REAL300024353135	0	37	-1.0	-51.72	359.52	1.60	-50.12
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353136	0	39	-1.0	-48.96	352.98	3.55	-45.41
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(Br)C(F)=C1F	REAL300024353137	0	29	-1.0	-45.68	306.50	1.54	-44.14
COC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C12	REAL300024353138	0	36	-1.0	-45.64	319.73	2.49	-43.15
CN1N=C(C2CCOCC2)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353139	0	40	-1.0	-46.66	342.67	0.76	-45.90
O=C(CSC1=NNC(=O)[N-]1)NC1=CC2=C(C=C1Cl)CCC2	REAL300024353140	0	33	-1.0	-42.90	308.39	3.29	-39.61
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=C(F)C(Cl)=C1	REAL300024353141	0	28	-1.0	-43.29	287.37	0.92	-42.37
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=NC(C(F)(F)F)=C1	REAL300024353142	0	30	-1.0	-44.78	300.22	-0.31	-45.09
O=C(CSC1=NNC(=O)[N-]1)NNCC(F)(F)C(F)(F)F	REAL300024353143	0	27	-1.0	-44.94	281.61	-1.33	-46.27
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=C(OC(F)(F)F)C=C1	REAL300024353144	0	32	-1.0	-42.86	310.79	0.14	-42.72
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300024353145	0	36	-1.0	-43.98	329.06	4.17	-39.81
O=C(CSC1=NNC(=O)[N-]1)NCCCN1CCCS1(=O)=O	REAL300024353146	0	37	-1.0	-54.52	339.20	-3.05	-57.57
CN(CC1=CC=C(Br)C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353147	0	32	-1.0	-48.59	312.61	3.65	-44.94
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC2=CC=C(F)C=C2)C1	REAL300024353148	0	35	-1.0	-46.10	322.11	1.42	-44.68
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(F)=CC=C1NC1CC1	REAL300024353149	0	35	-1.0	-45.78	317.49	1.55	-44.23
CN1C=NN=C1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353832	0	35	-1.0	-52.46	312.91	2.75	-49.71
O=C(CSC1=NNC(=O)[N-]1)NC(CO)CC1OCCO1	REAL300024353833	0	35	-1.0	-45.93	312.72	-4.73	-50.66
CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353834	0	45	-1.0	-49.42	392.19	0.96	-48.46
O=C(CSC1=NNC(=O)[N-]1)NC1CC2=CN=CC=C2NC1=O	REAL300024353835	0	33	-1.0	-50.74	305.64	-2.42	-53.16
O=C(CSC1=NNC(=O)[N-]1)NC1CC2=CC=CN=C2NC1=O	REAL300024353836	0	33	-1.0	-52.75	305.77	-1.57	-54.32
CCOC(=O)C1CC2=CC(F)=CC=C2N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353837	0	42	-1.0	-44.52	367.45	4.95	-39.57
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1C1=CN=CN=C1C2	REAL300024353838	0	35	-1.0	-46.16	306.20	2.21	-43.95
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=NN=CN2)C1	REAL300024353839	0	35	-1.0	-51.93	304.61	2.01	-49.92
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=NNC=N2)C1	REAL300024353839	1	35	-1.0	-49.73	307.04	1.47	-48.26
CN(C)C1=NC2=C(CN(C(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300024353840	0	37	-1.0	-45.96	333.06	2.14	-43.82
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(N=CN2)C12CCC2	REAL300024353841	0	37	-1.0	-47.44	308.20	2.42	-45.02
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(NC=N2)C12CCC2	REAL300024353841	1	37	-1.0	-46.35	308.26	2.41	-43.94
CC1=C(C(=O)CNC(=O)CSC2=NNC(=O)[N-]2)SC(C(C)C)=N1	REAL300024353842	0	39	-1.0	-44.38	360.81	0.74	-43.64
CC(C)N1C=NC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C21	REAL300024353843	0	41	-1.0	-47.54	362.92	3.44	-44.10
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2=NC3=CC=CC=C3N=C2)C1	REAL300024353844	0	37	-1.0	-48.95	334.97	1.34	-47.61
COCCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CN=C1	REAL300024353845	0	38	-1.0	-46.18	342.60	0.12	-46.06
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
CC(C)(CNS(N)(=O)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353847	0	35	-1.0	-51.88	316.62	-7.02	-58.90
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1C1=NC=CC=N1	REAL300024353848	0	37	-1.0	-47.00	315.05	1.56	-45.44
CN1C=CN=C1C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353849	0	40	-1.0	-47.99	336.05	-0.19	-48.18
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)CCS(C)(=O)=O	REAL300024353850	0	39	-1.0	-53.62	351.09	-5.02	-58.64
CN1N=CC=C1C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353851	0	40	-1.0	-46.66	334.80	-1.16	-47.82
CN1N=CN=C1C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353852	0	39	-1.0	-47.79	331.43	-0.45	-48.24
CN1CCN2C(CNC(=O)CSC3=NNC(=O)[N-]3)=NN=C2C1=O	REAL300024353853	0	36	-1.0	-55.48	329.52	-1.13	-56.61
CC1(C)OC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@@H](C2=CC=CC=C2)O1	REAL300024353854	0	44	-1.0	-44.36	368.16	2.29	-42.07
CN1CCN2C(CCNC(=O)CSC3=NNC(=O)[N-]3)=NN=C2C1=O	REAL300024353855	0	39	-1.0	-61.21	351.02	-0.39	-61.60
COC(=O)[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1S(C)(=O)=O	REAL300024353856	0	38	-1.0	-54.16	354.48	-1.39	-55.55
COC1(C2=CN=NN2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353857	0	36	-1.0	-50.40	324.79	-1.72	-52.12
COC1(C2=NC=CN2C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353858	0	43	-1.0	-47.35	352.45	1.51	-45.84
CC(C)(C)OC(=O)NC1=CC(F)=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353859	0	46	-1.0	-46.97	402.17	1.17	-45.80
COC(=O)CCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353860	0	41	-1.0	-45.62	346.57	3.09	-42.53
CN(CC(C)(C)S(C)(=O)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353861	0	37	-1.0	-48.32	311.85	-1.07	-49.39
CC1(C)CCC2=C(C1)C(CNC(=O)CSC1=NNC(=O)[N-]1)=NO2	REAL300024353862	0	41	-1.0	-44.52	348.10	1.85	-42.67
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C(F)(F)F)CC1	REAL300024353863	0	33	-1.0	-48.30	297.73	0.78	-47.52
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC(C(F)(F)F)O1	REAL300024353864	0	36	-1.0	-47.99	306.44	1.05	-46.94
CC1(C)C(C2=CC=CC(Cl)=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353865	0	42	-1.0	-47.41	360.26	5.29	-42.12
CC(C)(C)OC(=O)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353866	0	41	-1.0	-45.01	350.66	1.95	-43.06
CC1CN(C2=CC=CC=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353867	0	41	-1.0	-43.00	334.71	2.55	-40.45
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(C(F)(F)F)S1	REAL300024353868	0	29	-1.0	-43.12	304.82	1.15	-41.97
O=C(CSC1=NNC(=O)[N-]1)NCC1=NOC(C2=CC=C(F)C=C2F)=C1	REAL300024353869	0	35	-1.0	-44.97	342.60	2.08	-42.89
CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353870	0	41	-1.0	-45.37	350.47	1.99	-43.38
CC(C)(C)OC(=O)N1CCC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024353871	0	50	-1.0	-49.16	405.66	3.25	-45.91
CC1=CC=C(F)C(NC(=S)NNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353872	0	35	-1.0	-46.54	336.43	2.34	-44.20
CC(C)OC1=CC=C(NC(=S)NNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353873	0	42	-1.0	-48.12	377.92	2.39	-45.73
C#CC1=CC=CC(NC(=S)NNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353874	0	34	-1.0	-48.15	336.09	2.77	-45.38
CN(C)C1=CC=C(NC(=S)NNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353875	0	40	-1.0	-48.67	360.37	1.99	-46.68
COC1=CC=C(NC(=S)NNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024353876	0	35	-1.0	-50.34	335.86	-1.79	-52.13
O=C(CSC1=NNC(=O)[N-]1)NNC(=S)NC1=CC=CC=N1	REAL300024353877	0	31	-1.0	-50.80	303.97	1.76	-49.04
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CC1=CC=CC(Cl)=C1	REAL300024353878	0	36	-1.0	-45.48	343.84	-0.38	-45.86
O=C(CSC1=NNC(=O)[N-]1)NCC(CO)C1=CC=C(Cl)C=C1	REAL300024353879	0	36	-1.0	-44.79	336.38	-0.01	-44.80
COC1=CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1O	REAL300024353880	0	37	-1.0	-48.81	335.71	-1.24	-50.05
COC1=CC=C(NNC(=O)CSC2=NNC(=O)[N-]2)C(Br)=C1	REAL300024353881	0	32	-1.0	-44.68	312.75	0.32	-44.36
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=CC(F)=C1Br	REAL300024353882	0	28	-1.0	-45.12	288.95	1.06	-44.06
COC1=CC2=C(C=C1OC)C(C)N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024353883	0	44	-1.0	-47.18	367.92	3.09	-44.09
CC1C2=CC=C(F)C=C2CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353884	0	36	-1.0	-43.96	315.55	3.96	-40.00
COC1=CC2=C(OC)C=CN=C2C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353885	0	39	-1.0	-46.72	346.67	-0.02	-46.74
O=C(CSC1=NNC(=O)[N-]1)NCCN1C=CC(C(F)(F)F)=N1	REAL300024353886	0	32	-1.0	-51.73	317.80	-0.18	-51.91
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(O)C(Cl)=C1	REAL300024353887	0	30	-1.0	-44.82	301.00	-1.45	-46.27
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
CCOC(=O)C1=CC(OCC)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353888	0	42	-1.0	-43.78	370.40	2.85	-40.93
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL300024353889	0	34	-1.0	-50.93	309.97	2.14	-48.79
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(C2=CC=C(F)C=C2)C1	REAL300024353890	0	34	-1.0	-46.84	311.65	0.53	-46.31
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2NC(=O)CS(=O)(=O)C2=C1	REAL300024353891	0	34	-1.0	-57.55	326.13	-3.86	-61.41
CC1=CC=C(S(=O)(=O)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024353892	0	45	-1.0	-51.88	389.90	2.28	-49.60
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL300024353893	0	34	-1.0	-50.84	310.12	2.12	-48.72
CCCC1(CCC)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353894	0	44	-1.0	-44.88	345.63	5.45	-39.43
O=C(CSC1=NNC(=O)[N-]1)N1CCNC(C2=CC=C(F)C=C2)C1	REAL300024353895	0	38	-1.0	-44.68	331.18	1.21	-43.47
CNC(=O)CN(CC(=O)NC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353896	0	36	-1.0	-55.19	330.90	-3.26	-58.45
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1OCC1=CC=CC=C1	REAL300024353897	0	43	-1.0	-48.16	381.98	5.95	-42.21
CN1N=NN=C1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353898	0	37	-1.0	-55.05	321.42	0.42	-54.63
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCNC2=O)CC1	REAL300024353899	0	37	-1.0	-48.51	305.11	-1.02	-49.53
CN(C)C1=CN=C(CNC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024353900	0	35	-1.0	-46.80	315.87	-1.57	-48.37
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=NC=C1Br	REAL300024353901	0	31	-1.0	-44.57	303.74	0.46	-44.11
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=NC=C1Br	REAL300024353902	0	31	-1.0	-44.53	303.19	0.43	-44.10
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C(F)(F)F)N=C1	REAL300024353903	0	34	-1.0	-45.45	326.87	0.99	-44.46
CC1=CC(F)=C(C#N)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353904	0	30	-1.0	-47.91	292.37	2.00	-45.91
CCOC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C(F)(F)F	REAL300024353905	0	38	-1.0	-45.76	349.65	2.68	-43.08
O=C(CSC1=NNC(=O)[N-]1)NC1(CCO)CCCCC1	REAL300024353906	0	39	-1.0	-46.10	313.40	-0.97	-47.07
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=NOC(C3CC3)=N2)C1	REAL300024353907	0	39	-1.0	-47.46	347.18	-0.71	-48.17
CCC(C1=CC=C(F)C=C1)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353908	0	47	-1.0	-43.72	386.64	3.87	-39.85
CCOC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024353909	0	38	-1.0	-44.20	348.71	2.96	-41.24
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300024353910	0	38	-1.0	-47.52	364.29	2.90	-44.62
O=C(CSC1=NNC(=O)[N-]1)NCCOC(F)(F)C(F)(F)F	REAL300024353911	0	29	-1.0	-43.53	300.10	-1.43	-44.96
O=C(CSC1=NNC(=O)[N-]1)NCCCC1CCOC1=O	REAL300024353912	0	35	-1.0	-50.31	312.33	0.49	-49.82
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C(F)(F)F)N=C1	REAL300024353913	0	34	-1.0	-45.41	326.13	0.91	-44.50
CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C1=CSC=C1	REAL300024353914	0	36	-1.0	-45.92	334.94	3.83	-42.09
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OC2=CC=C(Cl)C=N2)CC1	REAL300024353915	0	39	-1.0	-44.19	354.50	1.69	-42.50
CC(C)C1=NNC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024353916	0	45	-1.0	-45.82	372.81	2.83	-42.99
CC(C)C1=CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NN1	REAL300024353916	1	45	-1.0	-47.09	372.40	2.80	-44.29
CCOC(=O)C(CC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353917	0	38	-1.0	-42.72	340.64	2.15	-40.57
COC(=O)C(CC1=CN=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353918	0	34	-1.0	-49.97	334.17	0.00	-49.97
CC(C)(C)OC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353919	0	42	-1.0	-44.73	354.35	1.99	-42.74
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC=C(Cl)S1	REAL300024353920	0	25	-1.0	-42.63	275.79	-1.40	-44.03
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300024353921	0	37	-1.0	-45.86	331.75	2.77	-43.09
CC1=CC(NNC(=O)CSC2=NNC(=O)[N-]2)=NC(CO)=N1	REAL300024353922	0	33	-1.0	-46.80	311.82	-3.40	-50.20
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC(Br)=NC=N1	REAL300024353923	0	26	-1.0	-42.63	278.42	-0.03	-42.66
C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353924	0	44	-1.0	-42.71	340.28	2.45	-40.26
CC1(C)OC[C@@H]([C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)O1	REAL300024353925	0	42	-1.0	-44.30	351.44	0.09	-44.21
CONC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353926	0	37	-1.0	-54.13	322.29	0.17	-53.96
CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1Br	REAL300024353927	0	32	-1.0	-43.30	313.44	2.04	-41.26
CC(C)OC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024353928	0	39	-1.0	-42.61	332.66	0.36	-42.25
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(C(F)(F)F)=CC(Cl)=N1	REAL300024353929	0	31	-1.0	-43.69	325.09	0.45	-43.24
CC1(C(F)(F)F)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353930	0	32	-1.0	-43.32	294.34	1.63	-41.69
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2=CC=CC=C21	REAL300024353931	0	36	-1.0	-43.47	310.46	3.94	-39.53
CC(C)(C)OC(=O)C1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353932	0	44	-1.0	-47.13	383.64	3.56	-43.57
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2CCCCC2=N1	REAL300024353933	0	35	-1.0	-49.62	307.10	2.85	-46.77
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300024353934	0	36	-1.0	-43.72	337.42	1.47	-42.25
N#CC1=CC=C(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=N1	REAL300024353935	0	38	-1.0	-48.59	336.08	0.47	-48.12
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2CCC(C1)S2(=O)=O	REAL300024353936	0	39	-1.0	-50.23	326.36	-1.72	-51.95
CCOC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12COC2	REAL300024353937	0	40	-1.0	-44.99	347.05	0.71	-44.28
CC1=CSC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024353938	0	35	-1.0	-45.65	323.06	1.48	-44.17
CN(C)C1=CC=C(F)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353939	0	34	-1.0	-44.18	307.55	0.64	-43.54
O=C(CSC1=NNC(=O)[N-]1)NC1=CC2=CC=C(F)C(F)=C2N=C1	REAL300024353940	0	31	-1.0	-46.24	301.93	1.26	-44.98
O=C(CSC1=NNC(=O)[N-]1)NC1=NC2=CC(Cl)=CC=C2N1	REAL300024353941	0	29	-1.0	-42.11	290.31	2.67	-39.44
O=C(CSC1=NNC(=O)[N-]1)NC1=NC2=CC=C(Cl)C=C2N1	REAL300024353941	1	29	-1.0	-41.98	290.31	2.68	-39.30
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
CC(C)C1=NSC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024353942	1	30	-1.0	-42.30	291.52	0.23	-42.07
CCC1COCCN1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353943	0	41	-1.0	-44.01	337.32	-2.56	-46.57
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
C[C@@H]1CC(C)(C)C[C@@](C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353945	0	44	-1.0	-43.13	334.67	3.32	-39.81
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1NC1CCCCC1	REAL300024353946	0	44	-1.0	-43.78	361.66	3.22	-40.56
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CS(=O)(=O)CC2C1	REAL300024353947	0	36	-1.0	-51.97	315.00	-1.29	-53.26
C[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@]1(C)CS(=O)(=O)C2	REAL300024353948	0	39	-1.0	-57.87	326.06	-0.42	-58.29
NC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353949	0	37	-1.0	-47.07	319.12	0.75	-46.32
CC(C)(C)OC(=O)N1CCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC12	REAL300024353950	0	50	-1.0	-44.06	402.03	2.21	-41.85
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353951	0	47	-1.0	-44.84	387.98	-1.36	-46.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1(CC2=CC=CC=C2)CCCC1	REAL300024353952	0	45	-1.0	-45.18	358.83	5.89	-39.29
CCOC(=O)C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1Cl	REAL300024353953	0	41	-1.0	-49.36	382.59	4.49	-44.87
CCOC1=CC=C(N(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353954	0	36	-1.0	-45.20	321.40	2.72	-42.48
O=C(CSC1=NNC(=O)[N-]1)NC1CC(NC2=CC=CC=C2)C1	REAL300024353955	0	38	-1.0	-44.81	334.73	1.16	-43.65
O=C(CSC1=NNC(=O)[N-]1)N1CCNC(=O)CC12CCC2	REAL300024353956	0	37	-1.0	-44.70	302.95	-0.92	-45.62
COC1=CC=CC=C1C1CSCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353957	0	44	-1.0	-43.89	368.29	4.25	-39.64
O=C(CSC1=NNC(=O)[N-]1)N[C@@]1(C2=CC=C(Br)C=C2)C[C@@H](O)C1	REAL300024353958	0	37	-1.0	-48.23	343.01	0.27	-47.96
CS(=N)(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353959	0	35	-1.0	-53.66	311.02	-3.47	-57.13
O=C(CSC1=NNC(=O)[N-]1)NCC(F)(F)C1=CC=C(F)C=C1F	REAL300024353960	0	32	-1.0	-44.41	314.83	1.70	-42.71
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C2=CC=NC=C2)=CS1	REAL300024353961	0	34	-1.0	-47.06	332.24	-0.18	-47.24
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024353962	0	54	0.0	-67.51	407.33	5.38	-62.13
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024353962	1	54	0.0	-67.62	407.68	5.42	-62.20
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CS(=O)(=O)C2)C1	REAL300024353963	0	33	-1.0	-50.19	300.73	-1.99	-52.18
CC(C)(C)OC(=O)N1CC2CC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024353964	0	50	-1.0	-54.96	400.84	2.57	-52.39
COC1=CC=CC(CC2=CN=C(NC(=O)CSC3=NNC(=O)[N-]3)S2)=C1	REAL300024353965	0	39	-1.0	-50.50	367.20	3.21	-47.29
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
CCOC(=O)C(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353966	0	38	-1.0	-49.04	338.63	2.26	-46.78
COC1=CC=C(CC(C)(CO)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024353967	0	43	-1.0	-45.63	359.26	-1.33	-46.96
COC1=CC=C(CC(C)(CO)NC(=O)CSC2=NNC(=O)[N-]2)C=C1OC	REAL300024353968	0	47	-1.0	-47.95	389.39	-1.47	-49.42
CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353969	0	54	-1.0	-49.29	444.64	2.87	-46.42
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C(C)=C1	REAL300024353970	0	35	-1.0	-43.40	316.20	4.04	-39.36
COC(=O)[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024353971	0	39	-1.0	-50.64	328.76	2.56	-48.08
CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1N1CCCC1	REAL300024353972	0	41	-1.0	-45.07	340.37	2.01	-43.06
CC1([NH+]2CCCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353973	0	48	0.0	-65.76	352.16	3.86	-61.90
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CNC2=CC=C(Br)C=C12	REAL300024353974	0	36	-1.0	-48.43	348.72	2.29	-46.14
CC(C)(C)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024353975	0	38	-1.0	-42.62	345.23	2.60	-40.02
O=C(CSC1=NNC(=O)[N-]1)NCCN(CC1=CC=CC=C1)C1=CC=CC=N1	REAL300024353976	0	46	-1.0	-47.87	400.67	4.80	-43.07
C[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300024353977	0	49	0.0	-67.42	395.29	6.34	-61.08
C[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300024353977	1	49	0.0	-66.30	397.74	5.74	-60.56
CC(C)(C)OC(=O)NCC12CC(NC(=O)CSC3=NNC(=O)[N-]3)(C1)C2	REAL300024353978	0	47	-1.0	-46.68	397.55	-0.08	-46.76
C[C@H](C1=CC=C(Cl)C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353979	0	35	-1.0	-44.14	317.20	3.72	-40.42
C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024353980	0	50	-1.0	-51.20	396.15	3.10	-48.10
CC(C)(O)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353981	0	39	-1.0	-44.76	313.84	-0.66	-45.42
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=C(Br)C=C2)CC1	REAL300024353982	0	36	-1.0	-43.95	338.63	3.29	-40.66
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C2OC(=O)NC2=C1	REAL300024353983	0	32	-1.0	-48.44	305.74	-1.64	-50.08
CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@]2(C)C1	REAL300024353984	0	50	-1.0	-48.71	406.16	2.81	-45.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H](CO)[C@H](O)C1=CC=C([N+](=O)[O-])C=C1	REAL300024353985	0	39	-1.0	-50.79	352.59	-1.15	-51.94
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C(O)C1=CC=CC=C1	REAL300024353986	0	39	-1.0	-44.55	329.89	0.54	-44.01
COC1=CC=C(OC)C(C(O)C(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024353987	0	44	-1.0	-46.65	375.46	-1.48	-48.13
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CO)(CO)CC1	REAL300024353988	0	37	-1.0	-45.65	303.38	-3.15	-48.80
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](C(=O)NC2CCCC(O)C2)C1	REAL300024353989	0	50	-1.0	-45.50	400.01	-0.21	-45.71
CC1=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=C(F)C=C2N1	REAL300024353990	0	39	-1.0	-47.42	354.07	2.27	-45.15
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC2=NC=CC=C12	REAL300024353991	0	34	-1.0	-45.47	311.87	1.06	-44.41
CC(C)(C)OC(=O)NC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353992	0	46	-1.0	-47.50	388.28	-0.34	-47.84
CC(=O)NC1=CC=C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300024353993	0	40	-1.0	-48.89	346.17	2.08	-46.81
CN(CC1CN(C2=CC=CC=C2)C(=O)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353994	0	41	-1.0	-63.06	358.19	3.37	-59.69
CN1C2=CC=CC=C2N=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353995	0	32	-1.0	-53.08	296.86	3.89	-49.19
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024353996	0	52	0.0	-67.16	396.17	3.85	-63.31
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024353996	1	52	0.0	-69.40	399.46	3.06	-66.34
CC1=NC2=C(CCNC(=O)CSC3=NNC(=O)[N-]3)C=CC=C2O1	REAL300024353997	0	37	-1.0	-50.71	339.21	-0.76	-51.47
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC(C(F)(F)F)O1	REAL300024353998	0	36	-1.0	-44.64	321.44	-0.22	-44.86
CC1=CC(C#N)=CC=C1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353999	0	36	-1.0	-47.30	331.62	2.46	-44.84
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL300024354000	0	36	-1.0	-45.41	332.09	3.00	-42.41
CC(C)(C)OC(=O)N1CCOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024354001	0	50	-1.0	-46.57	405.13	0.58	-45.99
CC(C)(C)OC(=O)N1CC2C(CNC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024354002	0	47	-1.0	-47.90	396.30	1.81	-46.09
CC(C)(C)OC(=O)C1CC2(C1)CCC(CNC(=O)CSC1=NNC(=O)[N-]1)O2	REAL300024354003	0	52	-1.0	-45.98	428.69	2.82	-43.16
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC2=C(CCCC2)S1	REAL300024354004	0	35	-1.0	-44.36	322.47	0.59	-43.77
O=C(CSC1=NNC(=O)[N-]1)NCC1(N2C=C(Br)C=N2)CC1	REAL300024354005	0	33	-1.0	-44.50	327.50	0.65	-43.85
CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC[C@@H]12	REAL300024354006	0	53	-1.0	-48.02	424.80	3.16	-44.86
CC1CC2=CC(CNC(=O)CSC3=NNC(=O)[N-]3)=CC=C2O1	REAL300024354007	0	37	-1.0	-44.60	330.96	1.46	-43.14
CC(C)(C)OC(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024354008	0	43	-1.0	-49.87	364.92	0.78	-49.09
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=CC(F)=C2)CCC1	REAL300024354009	0	39	-1.0	-45.27	341.22	3.27	-42.00
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2(C1)OCCO2	REAL300024354010	0	35	-1.0	-45.26	310.46	-1.36	-46.62
COC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024354011	0	33	-1.0	-45.07	319.48	0.70	-44.37
CC1=CC(F)=CC=C1[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354012	0	35	-1.0	-43.47	313.53	2.30	-41.17
CCSC1=CC=CC=C1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024354013	0	39	-1.0	-45.69	353.60	3.36	-42.33
CC1=CC(F)=CC=C1[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354014	0	35	-1.0	-45.18	315.23	2.67	-42.51
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1CC(F)(F)F	REAL300024354015	0	37	-1.0	-43.85	323.59	-1.51	-45.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC(Cl)=CC(Cl)=C1F	REAL300024354016	0	32	-1.0	-43.33	328.81	2.78	-40.55
CN1N=C(C(F)(F)F)C=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024354017	0	32	-1.0	-44.72	315.94	-0.61	-45.33
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024354018	0	35	-1.0	-48.84	310.55	1.46	-47.38
COC1=CC=C([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024354019	0	39	-1.0	-44.45	341.02	1.73	-42.72
O=C(CSC1=NNC(=O)[N-]1)NCCC1=NC2=C(CCC2)S1	REAL300024354020	0	35	-1.0	-47.81	326.08	0.77	-47.04
O=C(CSC1=NNC(=O)[N-]1)NCC1=C(F)C=C(F)C=C1F	REAL300024354021	0	29	-1.0	-43.09	290.97	0.96	-42.13
O=C(CSC1=NNC(=O)[N-]1)NCCN1CCC2=CC=CC=C21	REAL300024354022	0	38	-1.0	-45.95	329.47	0.66	-45.29
CCC1=C(CNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2C=C1	REAL300024354023	0	41	-1.0	-44.01	350.54	4.77	-39.24
CN(C)C(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024354024	0	35	-1.0	-48.50	316.38	-0.12	-48.62
CN(C)C(CCNC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024354025	0	36	-1.0	-44.02	316.11	-1.47	-45.49
COC1=CC(Br)=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024354026	0	33	-1.0	-43.57	324.75	0.77	-42.80
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCC(C(F)(F)F)O1	REAL300024354027	0	36	-1.0	-48.02	331.51	0.09	-47.93
O=C(CSC1=NNC(=O)[N-]1)NCC1C[C@@H]2COC[C@@H]2O1	REAL300024354028	0	35	-1.0	-45.25	305.17	-2.56	-47.81
CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C1CC1	REAL300024354029	0	48	-1.0	-46.27	394.55	4.90	-41.37
CCOC(CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024354030	0	41	0.0	-69.32	343.14	0.09	-69.23
CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1C#N	REAL300024354031	0	33	-1.0	-46.42	313.96	1.74	-44.68
CS(=O)(=O)C1=CC=CC=C1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024354032	0	38	-1.0	-54.91	342.84	-0.88	-55.79
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC2=CC=CC=C2OC1=O	REAL300024354033	0	34	-1.0	-52.83	320.72	2.29	-50.54
COC1=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2C=C1	REAL300024354034	0	42	-1.0	-47.40	365.82	3.12	-44.28
CC1=CC=C(C2=NC(CNC(=O)CSC3=NNC(=O)[N-]3)=CO2)C=C1	REAL300024354035	0	38	-1.0	-46.91	352.01	-0.05	-46.96
CN(CC1=CC=CC=C1)C(=O)CNC(=O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024354036	0	46	-1.0	-48.99	409.03	-0.09	-49.08
CC1=C(Br)C=CC=C1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024354037	0	35	-1.0	-45.08	328.88	2.59	-42.49
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)CS(C)(=O)=O	REAL300024354038	0	37	-1.0	-51.28	322.99	-2.14	-53.42
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C(=O)N1CCCC(O)C1	REAL300024354039	0	44	-1.0	-49.43	372.40	-0.38	-49.81
CC1=CC(=O)N(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)N1	REAL300024354040	0	37	-1.0	-54.83	334.51	1.18	-53.65
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(CNC(=O)CSC1=NNC(=O)[N-]1)NCC(=O)NCC1=CC=CC=C1	REAL300024354041	0	43	-1.0	-47.74	391.88	-2.17	-49.91
CCS(=O)(=O)C1=CC=CC=C1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024354042	0	41	-1.0	-54.44	364.30	0.01	-54.43
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=C(C(F)F)C=N1	REAL300024354043	0	34	-1.0	-49.03	322.00	0.66	-48.37
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354044	0	37	-1.0	-48.34	334.55	-2.75	-51.09
CN(C)S(=O)(=O)CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024354045	0	43	-1.0	-51.75	393.26	-0.41	-52.16
CC(C)(C)N1C=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)NC1=O	REAL300024354046	0	41	-1.0	-51.74	353.86	-1.38	-53.12
CC(C)(C)OC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024354047	0	42	-1.0	-46.67	341.96	3.59	-43.08
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC2=CC=C(Br)C=C21	REAL300024354048	0	34	-1.0	-46.22	319.85	1.30	-44.92
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCOC2=CC=C(Br)C=C21	REAL300024354049	0	34	-1.0	-46.21	319.85	1.29	-44.92
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CO)(C(F)(F)F)C1	REAL300024354050	0	33	-1.0	-45.42	301.54	-1.41	-46.83
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)NNC1=CC=NC2=CC=CN=C21	REAL300024354052	0	32	-1.0	-48.02	300.11	-0.95	-48.97
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC(Cl)=NC2=NC=CC=C12	REAL300024354053	0	32	-1.0	-48.47	314.68	0.28	-48.19
CCOC(=O)C(CCCC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354054	0	46	-1.0	-46.92	393.12	3.57	-43.35
O=C(CSC1=NNC(=O)[N-]1)NC1=NC2=C(Br)C=CC=C2N1	REAL300024354055	0	29	-1.0	-43.97	294.90	2.77	-41.20
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2CC(=O)NC2=C1	REAL300024354056	0	31	-1.0	-49.03	290.12	-0.82	-49.85
O=C(CSC1=NNC(=O)[N-]1)NCC1=NOC2=CC=CC=C21	REAL300024354057	0	31	-1.0	-46.28	297.30	0.23	-46.05
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC2=CC=CC=C2C(Br)=C1	REAL300024354058	0	35	-1.0	-44.29	338.49	3.62	-40.67
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC(C(F)(F)F)O1	REAL300024354059	0	33	-1.0	-46.73	310.37	-0.69	-47.42
CO[C@]12CCC[C@@]1(NC(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300024354060	0	38	-1.0	-42.30	312.90	-0.82	-43.12
CC(C)(C)OC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024354061	0	42	-1.0	-46.69	341.96	3.58	-43.11
CCOCC1=NC(C)=CC(NNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024354062	0	39	-1.0	-45.70	355.93	-0.03	-45.73
CC1=CC(Cl)=CC=C1NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024354063	0	31	-1.0	-42.39	299.31	1.58	-40.81
CC1=CC(NNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300024354064	0	31	-1.0	-42.51	300.22	1.45	-41.06
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC(Cl)=CC=C1Br	REAL300024354065	0	28	-1.0	-42.50	299.97	1.55	-40.95
COC1=C2C(CCNC(=O)CSC3=NNC(=O)[N-]3)=CNC2=CC=C1	REAL300024354066	0	40	-1.0	-49.39	355.50	1.01	-48.38
CN1C=C(CN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2)C=N1	REAL300024354067	0	39	-1.0	-45.15	352.88	4.17	-40.98
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
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=C(Cl)C(Cl)=C1	REAL300024354069	0	32	-1.0	-45.75	327.36	2.59	-43.16
O=C(CSC1=NNC(=O)[N-]1)N1CC2C(C1)C(F)(F)C2(F)F	REAL300024354070	0	30	-1.0	-47.72	284.15	2.06	-45.66
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=C(F)C=CC=C2F)C1	REAL300024354071	0	36	-1.0	-45.92	322.04	3.69	-42.23
COC(=O)C(CC1=CC2=CC=CC=C2O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354072	0	41	-1.0	-51.18	377.11	3.29	-47.89
COC(=O)C(CC1CCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354073	0	39	-1.0	-49.68	345.39	0.20	-49.48
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300024354074	0	36	-1.0	-50.04	340.14	1.79	-48.25
CN(C)C(=O)C1=CNN=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354075	0	33	-1.0	-54.62	301.50	-1.70	-56.32
COC1=NC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C#N	REAL300024354076	0	30	-1.0	-48.23	295.49	-2.13	-50.36
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC2=C1C(=O)N=CN2	REAL300024354077	0	31	-1.0	-59.00	288.48	-0.56	-59.56
NC(=O)C1=NC=C(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024354078	0	26	-1.0	-46.95	270.83	-5.22	-52.17
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=CC=C2)CC(=O)C1	REAL300024354079	0	38	-1.0	-47.07	337.57	2.36	-44.71
COC1=CC=NC(OC)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354080	0	33	-1.0	-49.06	308.75	-3.05	-52.11
CC1=NC=CC2=C(NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C12	REAL300024354081	0	34	-1.0	-45.64	304.59	1.86	-43.78
O=C(CSC1=NNC(=O)[N-]1)N(CC(F)F)CC(F)F	REAL300024354082	0	28	-1.0	-48.89	268.16	1.23	-47.66
NC(=O)C1=CC(O)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354083	0	31	-1.0	-48.26	288.01	-4.90	-53.16
O=C(CSC1=NNC(=O)[N-]1)NCCC1=NC(C2=CC=CC=C2)=CN1	REAL300024354084	0	39	-1.0	-53.18	354.33	1.88	-51.30
CC(C)(C)OC(=O)NC1=CC=CC(F)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354085	0	43	-1.0	-46.69	370.81	1.36	-45.33
CC(C)(C)OC(=O)N1CCOC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024354086	0	51	-1.0	-49.86	409.83	1.60	-48.26
CC(C)C(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024354087	0	40	-1.0	-46.78	351.14	2.94	-43.84
N#CC1(C2=CC=CC=N2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024354088	0	39	-1.0	-46.32	340.22	2.70	-43.62
CC1=CC(C2=NC=CC=C2NC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024354089	0	35	-1.0	-43.16	329.45	2.73	-40.43
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC2=CN=CC=C2S1	REAL300024354090	0	30	-1.0	-45.43	300.44	-1.46	-46.89
COCOC1=CC=C(CCC(=O)OC)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354091	0	46	-1.0	-48.93	406.34	2.51	-46.42
CCOC(=O)C1=NNN=C1C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024354092	0	41	-1.0	-49.48	365.91	0.33	-49.15
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
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	REAL300024354093	0	49	0.0	-67.61	371.56	1.47	-66.14
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCC[C@@H]1N1CCOCC1	REAL300024354093	1	48	-1.0	-44.57	371.07	-0.34	-44.91
O=C(CSC1=NNC(=O)[N-]1)NCCN1CC2=CC=CC=C2OCC1=O	REAL300024354094	0	41	-1.0	-51.81	358.01	0.48	-51.33
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL300024354095	0	34	-1.0	-46.49	319.65	2.37	-44.12
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024354096	0	52	-1.0	-50.44	426.85	2.26	-48.18
CC1=CC=C(N(CC2=CN(C)N=C2)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024354097	0	42	-1.0	-45.06	375.08	4.87	-40.19
O=C(CSC1=NNC(=O)[N-]1)NC1C(=O)NCC12CCOCC2	REAL300024354098	0	38	-1.0	-53.62	319.89	-3.70	-57.32
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1C1=CC=CC=C1	REAL300024354099	0	39	-1.0	-45.17	336.23	4.94	-40.23
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCC2(CCOCC2)CO1	REAL300024354100	0	47	-1.0	-45.65	373.06	0.12	-45.53
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(CC2=CC=CC=C2F)=NO1	REAL300024354101	0	37	-1.0	-46.28	352.37	0.12	-46.16
COC(=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024354102	0	34	-1.0	-50.56	309.09	-1.95	-52.51
CCOC(=O)[C@@]1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1CC	REAL300024354103	0	41	-1.0	-43.82	355.77	3.00	-40.82
C[NH+](C)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C(F)(F)F	REAL300024354104	0	41	0.0	-69.12	355.07	3.60	-65.52
COC(=O)C1CC2(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300024354105	0	43	-1.0	-47.34	366.79	0.64	-46.70
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2OC3(C=CC2=C1)CCC3	REAL300024354106	0	39	-1.0	-46.24	342.05	3.16	-43.08
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=NC=C(Br)C=N2)C1	REAL300024354107	0	37	-1.0	-45.33	342.88	2.40	-42.93
CN1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024354108	0	40	-1.0	-42.91	329.44	-3.07	-45.98
C[NH+]1CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C1	REAL300024354108	1	41	0.0	-70.47	333.55	0.13	-70.34
CNC(=O)[C@H](CC1=CNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354109	0	36	-1.0	-55.26	331.88	-2.20	-57.46
CNC(=O)[C@H](CC1=CN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024354109	1	36	-1.0	-57.54	331.20	-2.15	-59.69
CCOC(=O)CC1=CSC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024354110	0	37	-1.0	-50.11	356.80	0.38	-49.73
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)C1CC2CCC1C2	REAL300024354111	0	38	-1.0	-43.76	321.73	1.54	-42.22
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(=O)NC(C2CC2)=N1	REAL300024354112	0	35	-1.0	-48.28	325.88	-0.87	-49.15
CNC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024354113	0	38	-1.0	-55.87	326.55	-1.95	-57.82
CN(CC1=NN=C2C(C(F)(F)F)CCCN12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024354114	0	41	-1.0	-48.61	363.88	3.78	-44.83
CC(C)C1=NN(C)C(CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024354115	0	40	-1.0	-50.38	355.90	0.78	-49.60
CC1CC2=NNC=C2CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024354116	0	36	-1.0	-46.67	308.30	0.90	-45.77
O=C(CSC1=NNC(=O)[N-]1)NCCCC1=NC2=CC([N+](=O)[O-])=CC=C2N1	REAL300024354117	0	40	-1.0	-52.72	371.27	1.76	-50.96
CCOC(=O)C(C1=CC=CN=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024354118	0	40	-1.0	-45.81	354.57	2.63	-43.18
CCC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024354119	0	39	-1.0	-47.43	331.91	0.18	-47.25
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CC(O)CNC2=O	REAL300024354120	0	35	-1.0	-49.09	311.57	-4.76	-53.85
CCOC(=O)C(C)(NC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024354121	0	34	-1.0	-43.30	321.80	0.58	-42.72
CCOC1=CC=CN=C1N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024354122	0	44	-1.0	-46.37	366.87	1.96	-44.41
CN(C)S(C)(=O)=NCC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024354123	0	44	-1.0	-56.19	392.97	-0.91	-57.10
O=C(CSC1=NNC(=O)[N-]1)N1CCC(N2C(=O)NC3=CC=CN=C32)CC1	REAL300024354124	0	42	-1.0	-53.41	359.38	2.03	-51.38
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1C1CCCC1	REAL300024354125	0	45	0.0	-65.22	342.43	3.53	-61.69
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1C1CCCC1	REAL300024354125	1	45	0.0	-65.32	343.29	3.59	-61.73
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C1CCCC1	REAL300024354125	1	44	-1.0	-42.39	341.03	1.52	-40.87
CN1C=C(C2CS(=O)(=O)CCCN2C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024354126	0	42	-1.0	-54.45	360.52	-0.91	-55.36
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=NC(Cl)=N2)CC1	REAL300024354127	0	37	-1.0	-46.42	335.77	2.28	-44.14
COC(CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1)OC	REAL300024354128	0	37	-1.0	-45.91	312.96	0.73	-45.18
CN(CC1=NC=C(Br)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024354129	0	30	-1.0	-45.40	303.39	0.87	-44.53
CN(C)C(=O)CN1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024354130	0	44	-1.0	-53.98	353.62	0.27	-53.71
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC=CC2=C1CCCC2	REAL300024354131	0	38	-1.0	-44.77	327.36	1.33	-43.44
O=C(CSC1=NNC(=O)[N-]1)NC1C2=CC=CC=C2OCC1F	REAL300024354132	0	34	-1.0	-45.53	303.49	0.81	-44.72
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL300024354133	0	34	-1.0	-46.49	319.70	2.36	-44.13
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(CCC2)OC2=CC=CC=C21	REAL300024354134	0	41	-1.0	-44.39	342.23	2.89	-41.50
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300024354135	0	49	-1.0	-48.69	395.05	3.12	-45.57
COC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1OC	REAL300024354136	0	34	-1.0	-44.59	309.85	0.15	-44.44
CC1(C)COC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024354137	0	39	-1.0	-45.28	332.43	0.03	-45.25
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2(O)CCC2)CCC1	REAL300024354138	0	40	-1.0	-42.42	325.91	0.09	-42.33
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300024354139	0	41	-1.0	-42.69	343.32	3.94	-38.75
CC(C)(C)NS(=O)(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024354140	0	46	-1.0	-46.57	373.18	-1.55	-48.12
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC2=NSN=C21	REAL300024354141	0	30	-1.0	-47.92	298.14	-0.83	-48.75
O=C(CSC1=NNC(=O)[N-]1)NC1=CNC2=CC=C(Br)C=C12	REAL300024354142	0	30	-1.0	-43.30	300.47	1.39	-41.91
O=C(CSC1=NNC(=O)[N-]1)NC1=CNN=C1C(F)(F)F	REAL300024354143	0	26	-1.0	-41.52	264.72	-1.75	-43.27
COC1=CC2=C(C=C1OC)C(C1CC1)N(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024354144	0	48	-1.0	-47.10	400.88	4.66	-42.44
COC(=O)CCC1=CC=C(O)C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024354145	0	39	-1.0	-48.11	355.73	0.24	-47.87
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C(F)(F)F)=CN1	REAL300024354146	0	29	-1.0	-48.05	294.52	-1.47	-49.52
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC=C(C(F)(F)F)N1	REAL300024354146	1	29	-1.0	-44.03	294.60	-1.51	-45.54
O=C(CSC1=NNC(=O)[N-]1)NCCN1C=CC(=O)NC1=O	REAL300024354147	0	32	-1.0	-55.88	303.98	-2.83	-58.71
O=C(CSC1=NNC(=O)[N-]1)NCC1=NOC(C2=CC=CO2)=N1	REAL300024354148	0	31	-1.0	-47.04	306.30	-2.60	-49.64
O=C(CSC1=NNC(=O)[N-]1)NCC(=O)N1CCOC2=CC=CC=C21	REAL300024354149	0	38	-1.0	-47.63	334.84	-0.02	-47.65
COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357214	0	50	-1.0	-52.42	417.76	-0.60	-53.02
CC1=NC(C2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)=NO1	REAL300024357215	0	37	-1.0	-48.03	346.24	0.18	-47.85
CCC1(C)COCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357216	0	39	-1.0	-42.71	313.86	0.04	-42.67
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1(OC)CCC1	REAL300024357217	0	39	-1.0	-43.99	331.13	-0.59	-44.58
CC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]2CCO[C@@H]21	REAL300024357218	0	43	-1.0	-45.68	328.33	2.08	-43.60
CCC(C)C1=CSC(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357219	0	34	-1.0	-41.91	311.76	1.40	-40.51
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)N1CCCCC1C1=CC=CC(O)=C1	REAL300024357220	0	40	-1.0	-46.19	332.96	1.51	-44.68
CC1=CC(F)=CC=C1CC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357221	0	39	-1.0	-45.56	342.11	3.49	-42.07
O=C(CSC1=NNC(=O)[N-]1)NCC1CCOCC12CCCC2	REAL300024357222	0	43	-1.0	-43.71	340.09	0.85	-42.86
COC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CCC(C(F)F)CC1	REAL300024357223	0	41	-1.0	-45.92	349.31	3.10	-42.82
CCOC(=O)C12CC(CNC(=O)CSC3=NNC(=O)[N-]3)(C1)OC2	REAL300024357224	0	40	-1.0	-45.93	357.35	0.03	-45.90
CCOC(=O)C12CC(CNC(=O)CSC3=NNC(=O)[N-]3)(C1)OC21COC1	REAL300024357225	0	45	-1.0	-47.64	389.80	-0.98	-48.62
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CC2=CC=CC=C2)C1=O	REAL300024357226	0	43	-1.0	-48.58	366.54	3.68	-44.90
C=CCCC1(C(=O)OC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357227	0	45	-1.0	-46.62	366.08	3.86	-42.76
O=C(CSC1=NNC(=O)[N-]1)NCC1=C(O)C=C(O)C=C1O	REAL300024357228	0	32	-1.0	-47.62	304.33	-7.59	-55.21
CN(CC1=CN(C(=O)OC(C)(C)C)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357229	0	48	-1.0	-49.17	402.33	2.52	-46.65
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=CC=C(Cl)C=N2)CC1	REAL300024357230	0	40	-1.0	-44.28	357.12	0.88	-43.40
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CN2C=NC=N2)C1	REAL300024357231	0	35	-1.0	-51.69	318.65	2.32	-49.37
CC(C)C1=COC([C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357232	0	41	-1.0	-49.66	354.54	0.54	-49.12
COCCCNC(=O)CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357233	0	48	-1.0	-48.73	400.40	-2.23	-50.96
CC(C)(C)OC(=O)NCC1CC2(C1)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024357234	0	50	-1.0	-49.33	418.00	1.75	-47.58
O=C(CSC1=NNC(=O)[N-]1)NC1=NC(CO)=C(C2=CC=CC=C2)S1	REAL300024357235	0	36	-1.0	-50.78	343.36	0.32	-50.46
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
CC(C)(C)OC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024357236	0	50	-1.0	-50.71	414.73	3.26	-47.45
CCOC(=O)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357237	0	35	-1.0	-49.27	319.69	1.87	-47.40
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCC(F)(F)CC2	REAL300024357238	0	36	-1.0	-45.98	314.04	2.68	-43.30
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCSCC2	REAL300024357239	0	34	-1.0	-45.15	301.21	2.16	-42.99
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2C(C1)C2(F)F	REAL300024357240	0	33	-1.0	-44.62	298.92	1.31	-43.31
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCS(=O)(=O)CC1	REAL300024357241	0	38	-1.0	-52.24	323.22	-2.23	-54.47
COC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CCC2=CC=CC=C2C1	REAL300024357242	0	42	-1.0	-45.65	355.38	4.22	-41.43
COC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CC(C(F)F)C1	REAL300024357243	0	35	-1.0	-48.86	320.51	1.55	-47.31
COC(=O)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)(C(=O)OC)C1	REAL300024357244	0	38	-1.0	-52.41	347.45	0.54	-51.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCOCC12CCCCC2	REAL300024357245	0	43	-1.0	-42.79	332.91	1.40	-41.39
O=C(CSC1=NNC(=O)[N-]1)N1CCC(S(=O)(=O)NCC2CC2)C1	REAL300024357246	0	41	-1.0	-49.34	368.21	-1.17	-50.51
COC(=O)C1CCS(=O)(=O)C12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024357247	0	39	-1.0	-53.49	351.41	-1.20	-54.69
COC1=CC2=C(C=C1CNC(=O)CSC1=NNC(=O)[N-]1)OCO2	REAL300024357248	0	36	-1.0	-46.02	328.42	-1.16	-47.18
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NC=C(Br)C=N1	REAL300024357249	0	30	-1.0	-43.37	304.82	-0.46	-43.83
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2(CCC1(F)F)OCCO2	REAL300024357250	0	41	-1.0	-45.58	336.53	0.26	-45.32
CC1(C)CCC(F)(F)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357251	0	38	-1.0	-45.49	313.51	2.55	-42.94
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C(C)C)C=C1	REAL300024357252	0	44	-1.0	-46.72	385.81	3.83	-42.89
CC(C)C1=CC=C(C(CO)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024357253	0	42	-1.0	-43.59	360.46	0.45	-43.14
CCOC1=CC=C(C(CO)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024357254	0	40	-1.0	-44.67	351.59	-1.27	-45.94
O=C(CSC1=NNC(=O)[N-]1)NC1=C(Cl)C=CC2=NC=CC=C21	REAL300024357255	0	31	-1.0	-45.99	308.43	2.06	-43.93
COC(=O)C1=CC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C2N1	REAL300024357256	0	36	-1.0	-46.30	336.19	1.27	-45.03
CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357257	0	41	-1.0	-48.15	359.77	-3.13	-51.28
CC(C)(C)OC(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024357258	0	44	-1.0	-46.49	373.77	0.77	-45.72
CN1C(NC(=O)CSC2=NNC(=O)[N-]2)=NC2=C1CCCC2	REAL300024357259	0	36	-1.0	-52.67	313.38	4.18	-48.49
CCN1C(NC(=O)CSC2=NNC(=O)[N-]2)=NC2=C1CCCC2	REAL300024357260	0	39	-1.0	-52.19	335.19	5.08	-47.11
CN1N=CC2=C1N=C(CNC(=O)CSC1=NNC(=O)[N-]1)NC2=O	REAL300024357261	0	34	-1.0	-49.02	321.15	-1.74	-50.76
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CCS(=O)(=O)C1	REAL300024357262	0	36	-1.0	-52.96	333.79	-4.04	-57.00
O=C(CSC1=NNC(=O)[N-]1)NC(CO)C1CCC2=CC=CC=C21	REAL300024357263	0	40	-1.0	-44.42	343.95	0.30	-44.12
CC1C2=CC=C(Cl)C=C2CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357264	0	36	-1.0	-43.55	325.87	4.41	-39.14
N#CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1(F)F	REAL300024357265	0	33	-1.0	-51.90	300.35	1.99	-49.91
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CC2=CC=CC(F)=C2)C1	REAL300024357266	0	40	-1.0	-47.08	351.37	1.29	-45.79
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C2CCC2)C1=O	REAL300024357267	0	40	-1.0	-50.64	346.35	0.44	-50.20
O=C(CSC1=NNC(=O)[N-]1)N1CCC12CCS(=O)(=O)C2	REAL300024357268	0	33	-1.0	-57.42	300.03	-2.12	-59.54
NC(=O)C1CNC(=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357269	0	31	-1.0	-50.40	279.70	-5.23	-55.63
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCOC[C@@H]1C(F)(F)F	REAL300024357270	0	33	-1.0	-43.40	297.03	-0.05	-43.45
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C(C)(C)C)C=C1	REAL300024357271	0	44	-1.0	-42.97	367.63	4.01	-38.96
CCCC1=NC=CN1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357272	0	41	-1.0	-47.69	354.82	2.19	-45.50
CCCC1=[NH+]C=CN1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357272	1	42	0.0	-63.96	359.22	2.71	-61.25
O=C(CSC1=NNC(=O)[N-]1)NC1=CC2=NSN=C2C=C1	REAL300024357273	0	27	-1.0	-44.56	272.36	-0.94	-45.50
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CC2=CC=C(Cl)C=C2)C1	REAL300024357274	0	40	-1.0	-46.89	362.20	1.79	-45.10
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCC3=CC=CC=C32)C1	REAL300024357275	0	40	-1.0	-44.38	338.99	4.65	-39.73
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=COC2=C(F)C=CC=C12	REAL300024357276	0	35	-1.0	-46.95	326.00	2.15	-44.80
O=C(CSC1=NNC(=O)[N-]1)NC(C1=NC2=CC=CC=C2S1)C1=CC=CC=C1	REAL300024357277	0	41	-1.0	-46.32	384.32	4.42	-41.90
CC1(C)C[C@H]2OCC[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357278	0	43	-1.0	-42.46	330.61	2.30	-40.16
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NC(C(F)(F)F)=CN2)CC1	REAL300024357279	0	39	-1.0	-48.01	351.32	2.26	-45.75
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NC=C(C(F)(F)F)N2)CC1	REAL300024357279	1	39	-1.0	-45.58	351.40	2.21	-43.37
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=COC2=C(F)C=CC=C12	REAL300024357280	0	35	-1.0	-46.98	325.78	2.17	-44.81
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(=O)NC2C1	REAL300024357281	0	37	-1.0	-47.89	311.75	-0.83	-48.72
O=C(CSC1=NNC(=O)[N-]1)N1CC23CCCC2(C1)C[NH+](CC1=CC=CC=C1)C3	REAL300024357282	0	53	0.0	-78.67	415.97	6.57	-72.10
CC(C)(C)N1N=C(C2CC2)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357283	0	42	-1.0	-45.20	353.71	3.70	-41.50
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CC(=O)NC2	REAL300024357284	0	37	-1.0	-45.72	299.51	-0.01	-45.73
NS(=O)(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024357285	0	30	-1.0	-50.65	298.04	-6.21	-56.86
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=NN1CC(F)(F)F	REAL300024357286	0	32	-1.0	-45.64	308.94	0.32	-45.32
COC(=O)C1=CC=CC(C2=CC=CC=C2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357287	0	45	-1.0	-46.96	403.52	4.92	-42.04
COC(=O)CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357288	0	35	-1.0	-48.34	317.57	0.68	-47.66
COC(=O)C1=C(C(C)C)C=C(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024357289	0	38	-1.0	-44.90	349.50	2.36	-42.54
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC(Cl)=C1)C1=CC=CC=C1F	REAL300024357290	0	39	-1.0	-47.86	371.34	5.52	-42.34
COC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C12	REAL300024357291	0	39	-1.0	-44.94	345.14	2.30	-42.64
O=C(CSC1=NNC(=O)[N-]1)NCCCN1CCCNC1=O	REAL300024357292	0	38	-1.0	-51.47	331.82	-1.80	-53.27
CCOC(=O)C1=CC=C2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300024357293	0	42	-1.0	-46.47	373.69	3.71	-42.76
CC(F)(F)C1=NOC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357294	0	30	-1.0	-44.77	298.95	-2.69	-47.46
CCOC(=O)[C@@H]1C[C@H](F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357295	0	35	-1.0	-49.79	317.97	2.67	-47.12
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=C(F)C=C1)C1=CC=CC(Cl)=C1	REAL300024357296	0	39	-1.0	-44.80	372.03	5.48	-39.32
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=NN1C1CC1(F)F	REAL300024357297	0	33	-1.0	-46.12	317.65	0.38	-45.74
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(OCCN2CCOCC2)=C1	REAL300024357298	0	46	-1.0	-49.55	387.94	-0.40	-49.95
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(CC2=CC=CC=C2)N=N1	REAL300024357299	0	35	-1.0	-44.52	325.52	2.04	-42.48
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CO)C1=O	REAL300024357300	0	34	-1.0	-47.63	296.03	-3.27	-50.90
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CC1(C2)NC(=O)NC1=O	REAL300024357301	0	42	-1.0	-46.00	338.59	-2.00	-48.00
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL300024357302	0	39	-1.0	-44.83	372.03	5.48	-39.35
CN(CC1=CN(C(=O)OC(C)(C)C)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357303	0	50	-1.0	-49.50	409.19	4.36	-45.14
CN1C=CC(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2)=N1	REAL300024357304	0	39	-1.0	-47.54	355.86	2.54	-45.00
CC1=CC=CC(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC(Cl)=C2)=C1	REAL300024357305	0	42	-1.0	-44.90	387.02	6.06	-38.84
COC1=CC(Br)=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357306	0	33	-1.0	-43.87	323.67	0.81	-43.06
O=C(CSC1=NNC(=O)[N-]1)NC1=NNC(C2=CC=CC=N2)=C1	REAL300024357307	0	32	-1.0	-49.92	301.91	-0.03	-49.95
CCO[C@@H]1CCCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357308	0	42	-1.0	-44.15	340.33	1.38	-42.77
O=C(CSC1=NNC(=O)[N-]1)NC1C(C(F)(F)F)C1C(F)(F)F	REAL300024357309	0	29	-1.0	-42.26	297.61	1.04	-41.22
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC2=NC=CC=C21	REAL300024357310	0	35	-1.0	-45.30	302.43	0.76	-44.54
C[NH+]1CC23CCCC2(CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C1	REAL300024357311	0	43	0.0	-74.75	335.75	2.94	-71.81
O=C(CSC1=NNC(=O)[N-]1)NCCN(CC(F)(F)F)C1CC1	REAL300024357312	0	37	-1.0	-45.82	330.19	-0.63	-46.45
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
N#CC1=CC=C(C2=NN=C(NC(=O)CSC3=NNC(=O)[N-]3)S2)C=C1	REAL300024357313	1	32	-1.0	-52.53	330.09	2.23	-50.30
O=C(CSC1=NNC(=O)[N-]1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300024357314	0	42	0.0	-64.87	357.73	3.47	-61.40
O=C(CSC1=NNC(=O)[N-]1)NCC(C1=CSC=C1)N1CCCC1	REAL300024357314	1	41	-1.0	-42.80	360.66	0.61	-42.19
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCOC12CC2(F)F	REAL300024357315	0	34	-1.0	-44.11	301.05	-0.36	-44.47
CC(F)(F)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024357316	0	38	-1.0	-46.11	336.95	3.15	-42.96
N#CC1(CO)CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024357317	0	38	-1.0	-52.38	330.52	-0.25	-52.63
CC1=NN(C2=CC=CC=C2)N=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357318	0	38	-1.0	-47.18	348.86	1.16	-46.02
CC(C)N(CC1=CN=CN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357319	0	38	-1.0	-44.20	315.38	3.12	-41.08
CCOC(=O)C1C2C=CC(C2)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357320	0	37	-1.0	-50.24	327.99	3.28	-46.96
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357321	0	47	-1.0	-50.54	388.24	1.15	-49.39
O=C(CSC1=NNC(=O)[N-]1)NC1=NNC(C2=NC3=CC=CC=C3N2)=C1	REAL300024357322	0	36	-1.0	-51.22	335.41	0.52	-50.70
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(C2=NC3=CC=CC=C3N2)=NN1	REAL300024357322	1	36	-1.0	-51.96	335.31	0.52	-51.44
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2=CNN=C2)C=C1	REAL300024357323	0	33	-1.0	-47.53	305.28	0.70	-46.83
CCOC(CCN(CC)C(=O)CSC1=NNC(=O)[N-]1)OCC	REAL300024357324	0	45	-1.0	-44.41	377.04	2.53	-41.88
O=C(CSC1=NNC(=O)[N-]1)NC1=NC=CN1CC1=CC=C(F)C=C1	REAL300024357325	0	36	-1.0	-53.61	335.91	5.92	-47.69
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1C[C@H](C2=CC=CC=C2)C1	REAL300024357326	0	39	-1.0	-44.18	327.70	4.33	-39.85
O=C(CSC1=NNC(=O)[N-]1)NC1=CNC2=CC=CC(F)=C12	REAL300024357327	0	30	-1.0	-44.98	284.48	0.86	-44.12
O=C(CSC1=NNC(=O)[N-]1)NCC1C(F)(F)C12CCOCC2	REAL300024357328	0	37	-1.0	-45.17	327.84	0.05	-45.12
COC(=O)C1N(C(=O)CSC2=NNC(=O)[N-]2)CCC1(C)C	REAL300024357329	0	38	-1.0	-49.80	325.04	2.16	-47.64
CCOC(=O)[C@]12CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]1CCCCC2	REAL300024357330	0	48	-1.0	-48.58	371.46	4.72	-43.86
COC(=O)CC1CC2(CN1C(=O)CSC1=NNC(=O)[N-]1)CCOCC2	REAL300024357331	0	46	-1.0	-45.52	376.87	2.02	-43.50
CCOC1=CC=C(C(NC(=O)CSC2=NNC(=O)[N-]2)C(=O)OC)C=C1	REAL300024357332	0	42	-1.0	-47.61	376.92	2.12	-45.49
CN(CC1=C(Br)SC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357333	0	29	-1.0	-41.95	295.01	2.37	-39.58
CN(CC1=NN(C)C=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357334	0	32	-1.0	-46.66	306.43	1.19	-45.47
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=CC(Cl)=CC=C1Cl	REAL300024357335	0	36	-1.0	-45.00	344.61	5.29	-39.71
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CN=C1S(C)(=O)=O	REAL300024357336	0	34	-1.0	-53.67	317.96	-2.96	-56.63
CC1=C(C2CCOCC2)NN=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357337	0	40	-1.0	-49.47	344.73	0.38	-49.09
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(NC(=O)OCC2=CC=CC=C2)C=C1	REAL300024357338	0	44	-1.0	-47.18	396.59	2.93	-44.25
O=C(CSC1=NNC(=O)[N-]1)NC1(C(F)(F)F)CCCC1	REAL300024357339	0	32	-1.0	-44.55	286.30	0.75	-43.80
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCC12CCC2	REAL300024357340	0	42	-1.0	-42.49	331.50	2.55	-39.94
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(C2CCCCC2)N=C1	REAL300024357341	0	39	-1.0	-47.06	331.95	1.72	-45.34
O=C(CSC1=NNC(=O)[N-]1)NC(CC1=CC=CC=C1)CC1=CC=CN=C1	REAL300024357342	0	44	-1.0	-49.54	381.18	4.30	-45.24
COC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C2=C1CCCC2	REAL300024357343	0	42	-1.0	-44.67	355.87	3.89	-40.78
COC(=O)C1CCC2(CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357344	0	42	-1.0	-49.66	345.31	4.22	-45.44
CC1=CC=C(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC(Cl)=C2)C=C1	REAL300024357345	0	42	-1.0	-44.49	387.12	6.09	-38.40
CC1(C)CCC2(CCC(CNC(=O)CSC3=NNC(=O)[N-]3)O2)CC1	REAL300024357346	0	49	-1.0	-44.10	386.06	2.41	-41.69
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1CCC2=CC=CC=C21	REAL300024357347	0	42	-1.0	-44.79	364.16	4.24	-40.55
COC(=O)C(C)(COC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357348	0	42	-1.0	-50.37	371.66	1.97	-48.40
CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024357349	0	50	-1.0	-51.22	412.27	2.12	-49.10
CCN(CCOCCOC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357350	0	39	-1.0	-43.83	338.96	0.31	-43.52
CN(CC1=CC=C(CN2C=CN=C2)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357351	0	42	-1.0	-50.01	374.11	6.26	-43.75
C[N@@H+]1CCC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C1	REAL300024357352	0	39	0.0	-73.67	329.47	3.07	-70.60
C[N@H+]1CCC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C1	REAL300024357352	1	39	0.0	-73.56	329.18	3.07	-70.49
CN1CCC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C1	REAL300024357352	1	38	-1.0	-44.56	326.43	0.64	-43.92
O=C(CSC1=NNC(=O)[N-]1)NCC1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL300024357353	0	34	-1.0	-43.95	341.73	-0.07	-44.02
C#CCC1(C(=O)OC)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357354	0	37	-1.0	-45.21	328.02	3.81	-41.40
CC1=NN(C(F)F)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357355	0	29	-1.0	-45.90	283.43	-0.75	-46.65
CC(C)(C)OC(=O)N1CCCC1C(=O)NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357356	0	47	-1.0	-51.52	400.71	-0.04	-51.56
COC(=O)[C@H](CC1=CC=C(F)C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357357	0	38	-1.0	-50.06	361.60	2.82	-47.24
CCOC(=O)CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024357358	0	41	-1.0	-47.52	372.76	3.22	-44.30
CC(C)(C)OC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1	REAL300024357359	0	53	-1.0	-48.48	423.14	2.82	-45.66
CC(C)(C)OC(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300024357360	0	52	-1.0	-48.27	415.41	2.58	-45.69
O=C(CSC1=NNC(=O)[N-]1)NCC1=NOC2=C1CCCCC2	REAL300024357361	0	38	-1.0	-44.47	326.36	1.34	-43.13
CC12CCCCC1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300024357362	0	42	-1.0	-42.80	315.33	3.87	-38.93
CSC1=CC=C(Br)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357363	0	30	-1.0	-44.32	306.52	2.48	-41.84
COC1=CC=C2N=C(NC(=O)CSC3=NNC(=O)[N-]3)SC2=N1	REAL300024357364	0	31	-1.0	-45.31	306.70	-2.14	-47.45
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
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2CCOCC2)C(=O)C1	REAL300024357365	0	41	-1.0	-48.50	336.37	0.06	-48.44
CCN(CCOC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357366	0	41	-1.0	-42.91	339.63	2.20	-40.71
COC(=O)CCC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357367	0	41	-1.0	-47.74	365.32	3.12	-44.62
O=C(CSC1=NNC(=O)[N-]1)N1CCC(N2C(=O)CCC2=O)CC1	REAL300024357368	0	39	-1.0	-51.31	331.80	1.21	-50.10
COCCC1(C(=O)OC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357369	0	45	-1.0	-46.85	365.45	1.60	-45.25
CC(C)N1C=CN=C1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357370	0	38	-1.0	-51.90	326.88	2.59	-49.31
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](C2=CC=CC=C2)[C@H](O)C1	REAL300024357371	0	37	-1.0	-44.74	325.23	0.27	-44.47
O=C(CSC1=NNC(=O)[N-]1)N1CCCNC(=O)C1C1=CC=CC=C1	REAL300024357372	0	40	-1.0	-51.41	329.37	1.19	-50.22
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C2=CC=C(F)C=C2F)C1=O	REAL300024357373	0	40	-1.0	-54.25	363.44	2.32	-51.93
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2)OC2(CCC2)C1	REAL300024357374	0	41	-1.0	-42.39	333.62	2.49	-39.90
CC1CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC(C)O1	REAL300024357375	0	39	-1.0	-43.08	316.08	1.21	-41.87
CC(C)(C)OC1=CC=NC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357376	0	38	-1.0	-47.43	324.68	1.54	-45.89
O=C(CSC1=NNC(=O)[N-]1)NC(C1=COC=C1)C1=CC=CC=C1	REAL300024357377	0	36	-1.0	-46.08	331.73	2.73	-43.35
COC(=O)C(CCC(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357378	0	40	-1.0	-46.85	349.77	1.88	-44.97
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(C2=NNC=C2)C1	REAL300024357379	0	34	-1.0	-48.10	306.73	-3.09	-51.19
CS(=O)(=O)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357380	0	38	-1.0	-53.10	331.06	-1.72	-54.82
CC1=C(Br)C=C(NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024357381	0	29	-1.0	-52.74	293.00	-0.11	-52.85
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(C2=CC=C(F)C(F)=C2)C1	REAL300024357382	0	34	-1.0	-49.46	318.87	-0.17	-49.63
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC=C2C=CSC2=C1	REAL300024357383	0	31	-1.0	-44.22	301.73	1.73	-42.49
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC23OCCC2CC13	REAL300024357384	0	41	-1.0	-45.24	332.59	1.00	-44.24
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=C3C=CSC3=CC=C2)CC1	REAL300024357385	0	41	-1.0	-44.39	355.29	3.31	-41.08
COCCOCCOCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357386	0	44	-1.0	-48.51	390.79	-4.70	-53.21
CC(C)(CNC(=O)CSC1=NNC(=O)[N-]1)OCC(F)(F)F	REAL300024357387	0	35	-1.0	-46.08	320.25	-0.39	-46.47
CC1(C)CC2(CO1)CN(C(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300024357388	0	41	-1.0	-44.44	335.50	-0.01	-44.45
COC(=O)C[C@@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024357389	0	41	-1.0	-48.79	350.63	1.78	-47.01
CCC(CCC(=O)OC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357390	0	37	-1.0	-45.56	324.60	1.02	-44.54
CC(C)CC(=O)N1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357391	0	45	-1.0	-50.16	370.19	1.52	-48.64
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=CC=C2)CCOC1	REAL300024357392	0	40	-1.0	-44.29	338.11	1.86	-42.43
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
CC(C)(C)C1=NOC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357394	0	37	-1.0	-44.21	320.55	1.22	-42.99
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CS(=O)(=O)C12CCOCC2	REAL300024357395	0	40	-1.0	-50.75	321.28	-2.30	-53.05
CC1(C(F)F)COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357396	0	33	-1.0	-43.02	284.86	0.09	-42.93
C=CCN(CC1=CC=C(Br)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357397	0	36	-1.0	-44.59	346.39	5.13	-39.46
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C(C)(C)C)C=C1	REAL300024357398	0	47	-1.0	-46.62	401.76	4.23	-42.39
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Br)C2=C1CCCC2	REAL300024357399	0	36	-1.0	-42.81	325.15	3.91	-38.90
CC(C)(C)C1=CN=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357400	0	37	-1.0	-43.87	319.52	1.26	-42.61
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=C(C2CCOCC2)N=C1	REAL300024357401	0	38	-1.0	-46.35	333.53	-0.60	-46.95
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(Cl)C(F)=C1	REAL300024357402	0	29	-1.0	-43.89	296.54	1.42	-42.47
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC(C(F)F)CC1	REAL300024357403	0	38	-1.0	-47.12	320.63	1.80	-45.32
O=C(CSC1=NNC(=O)[N-]1)N1CCN2C(=NN=C2C(F)(F)Cl)C1	REAL300024357404	0	32	-1.0	-46.49	311.32	2.02	-44.47
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C=CC(=O)N2)C1	REAL300024357405	0	33	-1.0	-49.53	295.13	0.02	-49.51
CS(=O)(=O)N1C2CCC1CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024357406	0	41	-1.0	-51.60	343.64	-0.84	-52.44
O=C(CSC1=NNC(=O)[N-]1)N=S1(=O)CCCCCC1	REAL300024357407	0	34	-1.0	-60.34	293.04	-0.23	-60.57
COC1=CC(C)=NC(CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357408	0	37	-1.0	-47.82	339.43	-2.13	-49.95
COC1=CC=C(C)C(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357409	0	43	-1.0	-49.35	359.52	4.11	-45.24
CN1C=C(C2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)C=N1	REAL300024357410	0	39	-1.0	-47.98	354.07	2.15	-45.83
O=C(CSC1=NNC(=O)[N-]1)NCC[C@@H](O)C1=CC=CC=C1	REAL300024357411	0	36	-1.0	-46.19	324.23	-0.74	-46.93
O=C(CSC1=NNC(=O)[N-]1)NCC1(CO)CC2C=CC1C2	REAL300024357412	0	38	-1.0	-44.85	314.76	-0.60	-45.45
COC1=CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)=CC=C1F	REAL300024357413	0	41	-1.0	-45.76	358.66	1.81	-43.95
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC=C1)C1CC1C1=CC=CC=C1	REAL300024357414	0	46	-1.0	-45.46	385.80	5.97	-39.49
CC1=CC(Br)=CC(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357415	0	39	-1.0	-45.83	358.21	5.64	-40.19
C[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357416	0	32	-1.0	-43.69	293.44	1.88	-41.81
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCCC2	REAL300024357417	0	42	-1.0	-44.35	350.05	3.08	-41.27
COC(=O)C1CC2(CCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357418	0	39	-1.0	-48.07	335.90	2.84	-45.23
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCC2=CC=CC=C2C1	REAL300024357419	0	40	-1.0	-45.09	340.97	0.43	-44.66
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)OCCO	REAL300024357420	0	39	-1.0	-46.14	335.09	-3.36	-49.50
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(F)F	REAL300024357421	0	35	-1.0	-42.80	293.29	2.63	-40.17
CC(C)(C)OC(=O)NCCS(C)(=O)=NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357422	0	44	-1.0	-62.34	388.70	-2.40	-64.74
CC1CC(C2CCCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357423	0	45	-1.0	-43.08	355.62	4.60	-38.48
COC(=O)C(CC1CCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357424	0	39	-1.0	-48.84	343.01	-0.17	-49.01
CC(C)(C)OC(=O)[C@]12C[C@H]1[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024357425	0	42	-1.0	-45.28	362.83	2.71	-42.57
O=C(CSC1=NNC(=O)[N-]1)NCCCC1=CC=NC2=CC=CC=C12	REAL300024357426	0	40	-1.0	-47.79	354.88	2.65	-45.14
CC(C)(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)OCCO	REAL300024357427	0	42	-1.0	-45.72	351.68	-2.74	-48.46
CC(C)(C)CC(CO)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357428	0	41	-1.0	-43.87	333.06	-1.13	-45.00
O=C(CSC1=NNC(=O)[N-]1)NC1=CNC2=CC(Br)=CC=C12	REAL300024357429	0	30	-1.0	-42.84	300.37	1.38	-41.46
O=C(CSC1=NNC(=O)[N-]1)NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300024357430	0	36	-1.0	-48.02	337.75	3.40	-44.62
CC1=CC=CC(C(CCO)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357431	0	39	-1.0	-43.71	338.13	-0.37	-44.08
O=C(CSC1=NNC(=O)[N-]1)NC(CCO)C1=CC=C(F)C=C1F	REAL300024357432	0	36	-1.0	-44.84	327.52	-0.89	-45.73
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C2=CC=CC=C2OC[C@@H]1O	REAL300024357433	0	35	-1.0	-47.95	309.08	-1.89	-49.84
COC(=O)[C@@H]1C[C@@H](SC)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357434	0	36	-1.0	-47.68	334.67	2.28	-45.40
CC1=CC=C(C(NC(=O)CSC2=NNC(=O)[N-]2)C(O)C2CC2)C=C1F	REAL300024357435	0	43	-1.0	-44.24	370.02	1.55	-42.69
CC(C)(C)OC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357436	0	41	-1.0	-45.02	356.66	2.04	-42.98
O=C(CSC1=NNC(=O)[N-]1)NCCCOC1=CC=CC=N1	REAL300024357437	0	35	-1.0	-47.19	322.91	-1.36	-48.55
O=C(CSC1=NNC(=O)[N-]1)NC[C@]1(CO)C[C@H](OCC2=CC=CC=C2)C1	REAL300024357438	0	47	-1.0	-48.45	405.87	0.15	-48.30
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@]1(C)CNC(=O)OC(C)(C)C	REAL300024357439	0	52	-1.0	-46.64	415.06	1.78	-44.86
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C2=CC=CC=C2OC[C@H]1O	REAL300024357440	0	35	-1.0	-46.41	309.00	-2.33	-48.74
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCC2=CC=CC=C21	REAL300024357441	0	36	-1.0	-45.54	307.10	2.53	-43.01
COC1(OC)CC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357442	0	40	-1.0	-43.77	337.46	-0.38	-44.15
COC1(OC)CCCC(CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357443	0	46	-1.0	-44.66	369.58	0.72	-43.94
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)CC12CCOCC2	REAL300024357444	0	38	-1.0	-45.41	301.70	-2.03	-47.44
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)C12CCCCCC2	REAL300024357445	0	43	-1.0	-46.76	329.37	0.84	-45.92
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)OC(C)(C)C	REAL300024357446	0	46	-1.0	-47.82	382.52	1.10	-46.72
O=C(CSC1=NNC(=O)[N-]1)N[C@@H](C1=CC=C(F)C=C1)C(F)F	REAL300024357447	0	32	-1.0	-42.59	308.79	1.96	-40.63
O=C(CSC1=NNC(=O)[N-]1)N[C@H](C1=CC=C(F)C=C1)C(F)F	REAL300024357448	0	32	-1.0	-45.64	306.18	1.96	-43.68
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(O)C1CCCCC1	REAL300024357449	0	42	-1.0	-43.33	341.08	0.03	-43.30
CC1(C)OCC(CNC(=O)CSC2=NNC(=O)[N-]2)CO1	REAL300024357450	0	37	-1.0	-44.33	313.60	-1.23	-45.56
CCOP(=O)(CCCNC(=O)CSC1=NNC(=O)[N-]1)OCC	REAL300024357451	0	42	-1.0	-49.51	378.26	0.67	-48.84
COCCOC1=CC=NC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357452	0	39	-1.0	-47.59	354.14	-1.49	-49.08
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357453	0	39	0.0	-72.61	324.96	-0.77	-73.38
CC(C)(C)OC(=O)N1CCC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024357454	0	53	-1.0	-45.14	402.76	4.72	-40.42
COC1=CC=C(C(NC(=O)CSC2=NNC(=O)[N-]2)C(F)F)C=C1	REAL300024357455	0	36	-1.0	-46.26	329.75	1.26	-45.00
CCO[P@](C)(=O)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357456	0	38	-1.0	-49.04	350.58	-0.35	-49.39
CCO[P@@](C)(=O)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357456	1	38	-1.0	-49.09	350.58	-0.35	-49.44
C[NH+]1CCN(C(CNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=C(F)C=C2)CC1	REAL300024357457	0	50	0.0	-67.92	400.55	2.88	-65.04
CN1CCN(C(CNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=C(F)C=C2)CC1	REAL300024357457	1	49	-1.0	-44.39	407.34	0.25	-44.14
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC12CCCCC2	REAL300024357458	0	42	-1.0	-42.68	315.24	3.84	-38.84
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O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=CC(F)=CC=C1Cl	REAL300024357460	0	36	-1.0	-45.62	334.29	4.84	-40.78
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C[NH+](C)CCCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357462	0	43	0.0	-68.59	357.98	2.25	-66.34
O=C(CSC1=NNC(=O)[N-]1)NCC1=CN=C(C2=CC=CC=C2)C=N1	REAL300024357463	0	37	-1.0	-46.20	340.64	0.77	-45.43
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CN(C)C(=O)CCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357466	0	41	-1.0	-50.06	356.32	0.43	-49.63
CC1=NC2=CC(CNC(=O)CSC3=NNC(=O)[N-]3)=CC=C2N1	REAL300024357467	0	35	-1.0	-49.31	321.62	0.34	-48.97
CC1=NC2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2N1	REAL300024357467	1	35	-1.0	-48.14	321.65	0.35	-47.79
CN1N=C(C2=CC=CC=C2)C=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357468	0	39	-1.0	-46.13	354.02	1.96	-44.17
CC[C@H](C)[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OCC1=CC=CC=C1	REAL300024357469	0	47	-1.0	-43.16	399.19	4.85	-38.31
COC(=O)[C@H]1C[C@@](CNC(=O)CSC2=NNC(=O)[N-]2)(OC)C1	REAL300024357470	0	39	-1.0	-46.00	345.31	-0.63	-46.63
CCOC(=O)C12CC(CNC(=O)CSC3=NNC(=O)[N-]3)(C1)OC2C	REAL300024357471	0	43	-1.0	-45.58	375.29	0.67	-44.91
COC(=O)C1=CC2=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=CC=C2C=C1	REAL300024357472	0	41	-1.0	-50.69	371.50	3.58	-47.11
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC1C1=CC=C(Br)C=C1	REAL300024357473	0	39	-1.0	-44.90	356.01	4.05	-40.85
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC2C(CC1)C2(F)F	REAL300024357474	0	39	-1.0	-45.22	329.44	2.56	-42.66
CC1=CN=C(CCNC(=O)CSC2=NNC(=O)[N-]2)N=C1C	REAL300024357475	0	36	-1.0	-48.51	324.42	-0.05	-48.56
CN1CC2(COCCN2C(=O)CSC2=NNC(=O)[N-]2)COC1=O	REAL300024357476	0	39	-1.0	-52.56	317.44	0.20	-52.36
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC12CNC(=O)OC2	REAL300024357477	0	36	-1.0	-55.04	300.67	-2.65	-57.69
CC(C)=CCOC(=O)[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024357478	0	44	-1.0	-42.28	370.42	2.95	-39.33
CC(C)[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OCC1=CC=CC=C1	REAL300024357479	0	44	-1.0	-43.29	383.71	4.27	-39.02
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC1CO)CCCCC2	REAL300024357480	0	43	-1.0	-46.29	340.21	1.98	-44.31
COC(=O)C1=CN=C2CC(CNC(=O)CSC3=NNC(=O)[N-]3)CCN12	REAL300024357481	0	42	-1.0	-50.44	368.63	1.64	-48.80
CCOC(=O)C1=C(C)N=C(CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024357482	0	40	-1.0	-48.35	375.95	0.96	-47.39
COC(=O)C1=CC=CC(C2=CC=CC(CNC(=O)CSC3=NNC(=O)[N-]3)=C2)=C1	REAL300024357483	0	45	-1.0	-47.55	402.93	4.91	-42.64
COC(=O)[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024357484	0	38	-1.0	-44.26	326.76	1.04	-43.22
COC(=O)C1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357485	0	35	-1.0	-48.55	313.25	0.89	-47.66
COC(=O)C1=CC=CC=C1[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357486	0	42	-1.0	-47.07	367.71	3.31	-43.76
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C2=CC=CC=C2)C(=O)O1	REAL300024357487	0	38	-1.0	-54.01	342.18	0.97	-53.04
O=C(CSC1=NNC(=O)[N-]1)NCCCCC1=CNN=C1C(F)(F)F	REAL300024357488	0	38	-1.0	-50.13	352.64	0.40	-49.73
C=CCOC(=O)[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024357489	0	38	-1.0	-42.33	333.93	1.77	-40.56
C=CCN(CCC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357490	0	39	-1.0	-45.09	347.49	5.29	-39.80
O=C(CSC1=NNC(=O)[N-]1)N(CCC1=CC=CC=C1)CCC1=CC=NC=C1	REAL300024357491	0	47	-1.0	-47.51	409.78	6.71	-40.80
CCOC(=O)C(CNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CN=C1	REAL300024357492	0	43	-1.0	-46.45	376.58	2.26	-44.19
CC1(C)CC2=C(SC(NC(=O)CSC3=NNC(=O)[N-]3)=N2)C(=O)N1	REAL300024357493	0	36	-1.0	-48.47	332.37	-1.25	-49.72
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)NCCCCCCC(=O)C1=CC=CC=C1	REAL300024357494	0	46	-1.0	-50.24	401.67	4.57	-45.67
COC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CC(O)C1	REAL300024357495	0	33	-1.0	-45.33	298.55	-2.77	-48.10
CCOC(=O)C1=C(C)SC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357496	0	37	-1.0	-46.93	353.83	0.11	-46.82
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(Cl)C(F)=C1F	REAL300024357497	0	29	-1.0	-45.89	302.09	1.44	-44.45
COC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CC12CCOCC2	REAL300024357498	0	43	-1.0	-46.20	367.19	0.74	-45.46
COC(=O)C(CNC(=O)CSC1=NNC(=O)[N-]1)CC(C)(C)C	REAL300024357499	0	43	-1.0	-47.46	338.10	2.17	-45.29
COC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CC2CCC1C2	REAL300024357500	0	42	-1.0	-44.57	348.58	2.11	-42.46
COC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300024357501	0	39	-1.0	-46.39	333.16	2.91	-43.48
O=C(CSC1=NNC(=O)[N-]1)NCCCC1=CNN=C1C(F)(F)F	REAL300024357502	0	35	-1.0	-49.37	331.13	-0.37	-49.74
O=C(CSC1=NNC(=O)[N-]1)NCCCC1=CNN=C1C(F)(F)F	REAL300024357503	0	35	-1.0	-49.37	331.13	-0.37	-49.74
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCOCC2)CC1	REAL300024357504	0	46	0.0	-71.06	338.16	2.33	-68.73
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCOCC2)CC1	REAL300024357504	1	46	0.0	-69.47	334.30	1.96	-67.51
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCOCC2)CC1	REAL300024357504	1	45	-1.0	-43.91	333.03	-0.44	-44.35
CN1N=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C1=CC=C(F)C=C1	REAL300024357505	0	36	-1.0	-46.19	329.23	2.71	-43.48
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Br)C=C1	REAL300024357506	0	32	-1.0	-42.99	312.75	2.31	-40.68
COC(=O)[C@]12CCC[C@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300024357507	0	42	-1.0	-52.36	344.23	3.14	-49.22
COC(=O)C12CCC(CC1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024357508	0	39	-1.0	-49.06	323.94	3.61	-45.45
COC(=O)C[C@@H]1CC2=CC=CC=C2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357509	0	42	-1.0	-46.94	355.63	5.28	-41.66
COC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CCCC2CC21	REAL300024357510	0	39	-1.0	-44.42	322.34	2.89	-41.53
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=CN=C1Cl	REAL300024357511	0	31	-1.0	-48.54	303.12	0.14	-48.40
O=C(CSC1=NNC(=O)[N-]1)NCCOC1=CNN=C1C(F)(F)F	REAL300024357512	0	33	-1.0	-51.87	325.56	-2.06	-53.93
CN1N=C2CCOCC2=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357513	0	34	-1.0	-45.57	302.74	-0.83	-46.40
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC(N2C=CC=N2)C1	REAL300024357514	0	37	-1.0	-44.99	318.06	0.78	-44.21
O=C(CSC1=NNC(=O)[N-]1)N1CCCCCCCCCC1	REAL300024357515	0	44	-1.0	-43.39	335.38	4.19	-39.20
CS(=O)(=O)C1CCCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357516	0	41	-1.0	-49.13	334.23	-0.01	-49.14
COC1=CC=C([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1OC	REAL300024357517	0	40	-1.0	-46.66	350.19	0.88	-45.78
COC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CCC2CC21	REAL300024357518	0	36	-1.0	-44.72	309.69	2.03	-42.69
CCOC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CC2(CCC2)C1	REAL300024357519	0	42	-1.0	-47.14	359.63	2.48	-44.66
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)C2CC3CC(C2)CC1C3	REAL300024357520	0	44	-1.0	-43.39	335.92	-0.20	-43.59
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC2(CCCCC2)C1	REAL300024357521	0	45	-1.0	-43.48	329.84	4.33	-39.15
O=C(CSC1=NNC(=O)[N-]1)N1CCCCCCCNS(=O)(=O)CC1	REAL300024357522	0	46	-1.0	-46.90	368.82	-0.64	-47.54
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CC=C2C(=O)N1	REAL300024357523	0	31	-1.0	-45.73	288.29	0.45	-45.28
O=C(CSC1=NNC(=O)[N-]1)N=S1(=O)CCC2(CC1)OCCO2	REAL300024357524	0	37	-1.0	-56.66	326.46	-1.98	-58.64
O=C(CSC1=NNC(=O)[N-]1)NCC1=CSC(Cl)=C1	REAL300024357525	0	26	-1.0	-42.53	280.97	0.40	-42.13
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(COC3=CC=CC=C32)CC1	REAL300024357526	0	41	-1.0	-45.02	340.23	3.34	-41.68
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC(F)=C(F)C(F)=C1	REAL300024357527	0	32	-1.0	-44.45	310.43	1.87	-42.58
CC1=CC(C)=C([C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1	REAL300024357528	0	41	-1.0	-42.77	339.24	3.84	-38.93
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=CC(F)=CC=C1F	REAL300024357529	0	36	-1.0	-45.88	325.51	4.47	-41.41
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=CC(F)=CC(F)=C1	REAL300024357530	0	36	-1.0	-45.33	328.36	4.49	-40.84
COC(=O)C1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357531	0	41	-1.0	-46.33	340.98	1.56	-44.77
O=C(CSC1=NNC(=O)[N-]1)NCCCN1C=NC2=C1CCCC2	REAL300024357532	0	42	-1.0	-48.37	360.32	3.49	-44.88
O=C(CSC1=NNC(=O)[N-]1)NCCCN1C=[NH+]C2=C1CCCC2	REAL300024357532	1	43	0.0	-65.34	363.73	3.95	-61.39
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=NC=C1Br	REAL300024357533	0	31	-1.0	-46.29	307.06	0.30	-45.99
O=C(CSC1=NNC(=O)[N-]1)N1CC=CCC2(CCCC2)C1	REAL300024357534	0	40	-1.0	-43.95	316.87	3.98	-39.97
CC(C)CCC1=NC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2=N1	REAL300024357535	0	46	-1.0	-45.01	383.99	3.80	-41.21
CCC1=NC=CN1CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357536	0	38	-1.0	-51.08	337.59	1.67	-49.41
CCC1=[NH+]C=CN1CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357536	1	39	0.0	-61.31	340.38	2.11	-59.20
CC1=NN=C([C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024357537	0	34	-1.0	-48.82	313.52	-4.08	-52.90
C#CCC1(C(=O)OCC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357538	0	43	-1.0	-46.84	363.23	3.99	-42.85
O=C(CSC1=NNC(=O)[N-]1)NCCN1CCN2N=CC=C2C1	REAL300024357539	0	38	-1.0	-48.85	330.91	-2.17	-51.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]1C1=CC(Cl)=CC(Cl)=C1	REAL300024357540	0	33	-1.0	-44.38	335.02	3.28	-41.10
CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357541	0	50	-1.0	-47.94	399.43	-0.13	-48.07
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(F)=CC2=C1OCCC2	REAL300024357542	0	34	-1.0	-45.69	306.27	1.58	-44.11
CCCNC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357543	0	42	-1.0	-53.68	376.50	-3.65	-57.33
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2SCCCC2=C1	REAL300024357544	0	34	-1.0	-45.64	310.94	2.95	-42.69
O=C(CSC1=NNC(=O)[N-]1)N(CC1=CC=CC=C1)CC(F)(F)F	REAL300024357545	0	35	-1.0	-45.67	324.67	4.18	-41.49
CC(C)(C)OC(=O)N1CCC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024357546	0	47	-1.0	-53.32	390.74	2.31	-51.01
CC(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC=C1	REAL300024357547	0	40	-1.0	-42.52	344.47	2.57	-39.95
CC(C)OC1=CC(C#N)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357548	0	37	-1.0	-43.27	338.52	2.19	-41.08
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC(F)F)CC1	REAL300024357549	0	34	-1.0	-46.38	289.70	-0.86	-47.24
CC(C)(C)OC(=O)N1C2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024357550	0	44	-1.0	-46.83	366.46	2.35	-44.48
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1CC(C)(C)O	REAL300024357551	0	39	-1.0	-51.04	334.91	-1.56	-52.60
CC1=CSC(C(=O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1Cl	REAL300024357552	0	31	-1.0	-45.77	317.96	0.99	-44.78
CC(C)(C)C1=CN=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357553	0	40	-1.0	-43.60	345.34	1.35	-42.25
CS(=O)(=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357554	0	37	-1.0	-50.28	325.41	-3.04	-53.32
O=C(CSC1=NNC(=O)[N-]1)NCC1=C(O)C=CC=C1Br	REAL300024357555	0	30	-1.0	-45.62	301.71	-1.45	-47.07
CN(CCC1=CC=C(F)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357556	0	35	-1.0	-45.35	319.95	3.85	-41.50
O=C(CSC1=NNC(=O)[N-]1)NC1COC2=CC=CC=C2NC1=O	REAL300024357557	0	35	-1.0	-49.96	318.93	-1.80	-51.76
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=CC=C2)CCOC1	REAL300024357558	0	40	-1.0	-44.29	338.11	1.86	-42.43
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CNC(=O)C2O)CC1	REAL300024357559	0	38	-1.0	-48.81	317.04	-4.33	-53.14
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2=NC(C(F)(F)F)=CN2C1	REAL300024357560	0	36	-1.0	-48.39	336.16	1.42	-46.97
CP(C)(=O)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357561	0	35	-1.0	-49.88	328.23	0.31	-49.57
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)S(C)(=O)=O	REAL300024357562	0	33	-1.0	-50.01	309.90	-4.17	-54.18
CN1C=NC2=C1CCN(C(=O)CSC1=NNC(=O)[N-]1)C21CCOCC1	REAL300024357563	0	44	-1.0	-48.91	349.73	2.55	-46.36
O=C(CSC1=NNC(=O)[N-]1)N1CCN(S(=O)(=O)N2CC(O)C2)CC1	REAL300024357564	0	41	-1.0	-51.03	362.93	-5.26	-56.29
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(C2CCC2)=NN1	REAL300024357565	0	36	-1.0	-44.01	321.06	-0.26	-44.27
O=C(CSC1=NNC(=O)[N-]1)NCC1=NNC(C2CCC2)=C1	REAL300024357565	1	36	-1.0	-44.64	322.54	-0.14	-44.78
COC(=O)CC[C@H]1C[C@@H](C(=O)OC)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357566	0	44	-1.0	-53.97	387.67	3.31	-50.66
O=C(CSC1=NNC(=O)[N-]1)NC1=CON=C1C1=CC=CC=C1	REAL300024357567	0	32	-1.0	-42.72	301.41	1.92	-40.80
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2=NOC(C(F)(F)F)=C2)C=C1	REAL300024357568	0	35	-1.0	-44.12	343.77	2.93	-41.19
CC1=NC=CN1C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024357569	0	39	-1.0	-46.95	353.77	3.33	-43.62
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(Br)C=C(F)C=C2C1	REAL300024357570	0	33	-1.0	-43.03	314.75	3.77	-39.26
C=CCCC1(C#N)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357571	0	40	-1.0	-46.76	338.66	3.29	-43.47
CC(C)(C)OCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024357572	0	42	-1.0	-42.72	345.55	2.86	-39.86
O=C(CSC1=NNC(=O)[N-]1)N[C@@H](C1=CC=CC=C1)C(F)F	REAL300024357573	0	32	-1.0	-42.52	302.40	1.90	-40.62
O=C(CSC1=NNC(=O)[N-]1)N1CCCOC(C2=CC=CC=C2Cl)C1	REAL300024357574	0	40	-1.0	-46.18	353.12	4.41	-41.77
CN(CC1=NN=C(C2=CC=CC=C2)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357575	0	38	-1.0	-57.14	346.29	3.32	-53.82
CN(CC1=NNC(C2=CC=CC=C2)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357575	1	38	-1.0	-50.27	346.59	2.96	-47.31
CN(CC1=NC(C2=CC=CC=C2)=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357575	1	38	-1.0	-53.04	347.78	2.99	-50.05
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2CCOCC2)C=C1F	REAL300024357576	0	40	-1.0	-43.27	345.48	2.24	-41.03
COC(=O)[C@H]1C[C@@H](C(C)(C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357577	0	47	-1.0	-43.60	375.34	3.63	-39.97
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)NC(=O)NC2=O	REAL300024357578	0	32	-1.0	-48.03	300.21	-5.70	-53.73
CC1=CC(CC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)=CC(C)=N1	REAL300024357579	0	44	-1.0	-47.63	388.77	4.65	-42.98
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1OCC1CCCCC1	REAL300024357580	0	49	-1.0	-44.92	407.47	4.51	-40.41
C=CCN(CC1=CC=C(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357581	0	39	-1.0	-45.11	346.51	5.18	-39.93
O=C(CSC1=NNC(=O)[N-]1)NCC1(CO)CC2CCC1C2	REAL300024357582	0	40	-1.0	-44.74	322.72	-1.19	-45.93
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC2(CCCC2)C1	REAL300024357583	0	42	-1.0	-43.35	317.54	3.88	-39.47
COC(=O)[C@@H](CC1=CC=CC=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357584	0	41	-1.0	-46.37	359.41	4.69	-41.68
COC1=CC(CCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1O	REAL300024357585	0	43	-1.0	-47.47	376.97	0.52	-46.95
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2)CC1C(F)(F)F	REAL300024357586	0	36	-1.0	-44.36	318.19	3.15	-41.21
COC(=O)C1CC2(CN1C(=O)CSC1=NNC(=O)[N-]1)CCCCC2	REAL300024357587	0	45	-1.0	-48.26	365.00	3.82	-44.44
CC(C)COC1=C(F)C=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357588	0	39	-1.0	-42.01	350.31	2.76	-39.25
CN1CCCC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C21	REAL300024357589	0	38	-1.0	-44.68	322.16	1.29	-43.39
CCN1C=NC2=C1CCN(C(=O)CSC1=NNC(=O)[N-]1)C21CCOCC1	REAL300024357590	0	47	-1.0	-48.66	371.29	3.45	-45.21
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)OC(C)(C)C)C1	REAL300024357591	0	52	-1.0	-53.21	411.55	4.25	-48.96
O=C(CSC1=NNC(=O)[N-]1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300024357592	0	49	0.0	-63.89	394.35	4.68	-59.21
O=C(CSC1=NNC(=O)[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300024357592	1	49	0.0	-63.13	392.21	4.59	-58.54
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300024357593	0	45	0.0	-67.37	355.10	2.88	-64.49
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300024357593	1	45	0.0	-67.78	351.09	3.42	-64.36
O=C(CSC1=NNC(=O)[N-]1)NC(CO)C1=CC=C(F)C(Cl)=C1	REAL300024357594	0	33	-1.0	-44.67	322.86	-0.93	-45.60
CC1=NC(C(=O)CNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024357595	0	30	-1.0	-45.61	302.32	-1.34	-46.95
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C=C1F	REAL300024357596	0	34	-1.0	-46.00	322.45	1.55	-44.45
COC1=CC=C([C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024357597	0	40	-1.0	-45.50	347.34	2.06	-43.44
CN1C=C(OC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)C=N1	REAL300024357598	0	37	-1.0	-48.31	341.17	1.34	-46.97
CN1N=CC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C21	REAL300024357599	0	32	-1.0	-46.33	297.31	0.65	-45.68
CC1(C)COCCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357600	0	39	-1.0	-43.66	316.71	-0.36	-44.02
C=CCN(CC1=CC=C(F)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357601	0	36	-1.0	-45.22	331.50	4.57	-40.65
CC1=NN(CC(F)(F)F)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357602	0	32	-1.0	-45.86	310.24	0.45	-45.41
CN(CC1=NC2=C(C=NN2C)C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357603	0	37	-1.0	-52.96	340.48	0.59	-52.37
CC(C)(C)OC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300024357604	0	48	-1.0	-43.85	390.19	4.59	-39.26
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCC1	REAL300024357605	0	38	-1.0	-46.65	328.96	1.57	-45.08
COC1=CC=C(F)C=C1CC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357606	0	40	-1.0	-47.02	356.15	2.57	-44.45
CN(C(=O)CSC1=NNC(=O)[N-]1)C1(CNC(=O)OC(C)(C)C)CCOC1	REAL300024357607	0	50	-1.0	-47.09	397.82	1.49	-45.60
CC(C)(C)OC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2(CC2)C1	REAL300024357608	0	47	-1.0	-44.22	381.40	2.98	-41.24
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024357609	0	46	-1.0	-56.56	387.57	2.56	-54.00
CC(C)(C)OC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCOC2)C1	REAL300024357610	0	51	-1.0	-50.73	406.22	1.16	-49.57
CC(CC1=CC=C(F)C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357611	0	35	-1.0	-47.27	326.74	2.65	-44.62
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(OCC(F)F)=CC=N1	REAL300024357612	0	32	-1.0	-51.81	308.74	0.97	-50.84
CC(C)OC1=NC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357613	0	37	-1.0	-48.00	337.91	-2.68	-50.68
COC1COC2=CC=CC=C2C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357614	0	38	-1.0	-45.32	331.22	-0.35	-45.67
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300024357615	0	47	-1.0	-49.94	399.48	1.41	-48.53
O=C(CSC1=NNC(=O)[N-]1)N1CC23CCCCC2(C1)C(=O)NC3=O	REAL300024357616	0	40	-1.0	-50.44	336.30	-1.03	-51.47
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357617	0	55	-1.0	-47.67	441.42	1.79	-45.88
CC(C)(C)OC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)C1	REAL300024357618	0	50	-1.0	-49.08	404.26	1.83	-47.25
CC(C)(C)OC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCCC2)C1	REAL300024357619	0	53	-1.0	-49.46	421.22	2.51	-46.95
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2COCCC2C1	REAL300024357620	0	40	-1.0	-43.57	324.66	0.86	-42.71
COC(=O)[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)[C@@H](C)OC	REAL300024357621	0	35	-1.0	-47.87	319.54	-0.96	-48.83
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CC(C)(C)OC(=O)NCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024357626	0	49	-1.0	-46.70	403.88	0.38	-46.32
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CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357628	0	46	-1.0	-50.06	383.55	1.25	-48.81
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CCOC1=CC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C=C1	REAL300024357675	0	39	-1.0	-46.48	345.52	3.22	-43.26
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C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC2=CN=CC=C21	REAL300024357677	0	37	-1.0	-46.55	328.21	2.09	-44.46
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CC1(C2=CC=C(Cl)C=C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357680	0	39	-1.0	-44.72	347.29	4.51	-40.21
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CN(C)C(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CC(F)(F)C1	REAL300024357686	0	36	-1.0	-50.23	323.54	0.29	-49.94
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CC1(C)CCCOC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357688	0	39	-1.0	-43.35	318.80	-0.27	-43.62
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COC(=O)[C@@]1(NC(=O)CSC2=NNC(=O)[N-]2)C(C)[C@H]1C	REAL300024357691	0	35	-1.0	-45.99	311.84	0.61	-45.38
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COC1=CC=C(CN2C=CN=C2NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024357693	0	40	-1.0	-53.11	359.04	5.15	-47.96
COC(=O)CN(CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357694	0	38	-1.0	-48.71	347.17	4.36	-44.35
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CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024357696	0	47	-1.0	-44.60	376.84	2.52	-42.08
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CN1CCOCC12COCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024357699	0	43	-1.0	-42.67	324.62	-2.64	-45.31
O=C(CSC1=NNC(=O)[N-]1)N1CCC12CCS(=O)(=O)CC2	REAL300024357700	0	36	-1.0	-52.89	309.38	-1.63	-54.52
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1COC1CCCCC1	REAL300024357701	0	49	-1.0	-42.97	407.40	4.37	-38.60
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CC1=CC=C(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)S1	REAL300024357703	0	37	-1.0	-43.93	335.67	2.30	-41.63
CNC(=O)C1CC(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357704	0	39	-1.0	-49.18	324.85	-0.05	-49.23
CN(CCC1=CC=C(F)C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357705	0	35	-1.0	-48.85	325.14	3.86	-44.99
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300024357706	0	45	-1.0	-48.21	399.77	5.31	-42.90
COC(=O)C1CC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357707	0	38	-1.0	-48.85	331.45	2.26	-46.59
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CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357709	0	47	-1.0	-51.30	403.51	-1.68	-52.98
CC1=C(C)C2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C2N1	REAL300024357710	0	36	-1.0	-49.14	321.86	1.98	-47.16
COC1=CC=C2C(=C1)OCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024357711	0	35	-1.0	-44.76	305.85	0.94	-43.82
O=C(CSC1=NNC(=O)[N-]1)N1CCCN2N=C(CO)C=C2C1	REAL300024357712	0	37	-1.0	-51.15	321.73	-1.68	-52.83
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCS(=O)(=O)CC2	REAL300024357713	0	36	-1.0	-53.83	319.68	-1.46	-55.29
CC(CO)(COC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357714	0	40	-1.0	-44.69	345.87	-1.37	-46.06
CC(C)(C)OC(=O)C1(C(F)(F)F)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357715	0	44	-1.0	-43.61	380.44	3.65	-39.96
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C(F)(F)CF)C=C1	REAL300024357716	0	32	-1.0	-45.21	307.59	2.41	-42.80
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC=C1)C1=CC=C(Cl)C=C1F	REAL300024357717	0	39	-1.0	-45.81	371.32	5.54	-40.27
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=CC(Cl)=C1F	REAL300024357718	0	32	-1.0	-47.34	317.09	2.16	-45.18
COC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC(F)(F)C1	REAL300024357719	0	36	-1.0	-45.20	323.59	0.13	-45.07
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1S(C)(=O)=O	REAL300024357720	0	37	-1.0	-48.43	316.25	-1.84	-50.27
CN(CC1=NC=C(Cl)C=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357721	0	31	-1.0	-44.67	312.05	1.88	-42.79
CCOC(=O)C1C2=CC=C(F)C(F)=C2CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357722	0	42	-1.0	-45.99	374.90	5.21	-40.78
CC(C)(C)OC(=O)NC(CCNC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024357723	0	45	-1.0	-48.48	396.87	-0.24	-48.72
COCCNC(=O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357724	0	36	-1.0	-52.33	325.80	-2.20	-54.53
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CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC(CCO)O1	REAL300024357726	0	40	-1.0	-43.77	333.29	-1.61	-45.38
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CC(C)(CO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357732	0	42	-1.0	-45.07	329.88	-0.16	-45.23
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CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C1	REAL300024357734	0	47	-1.0	-42.98	382.63	5.72	-37.26
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COCC1=NOC(CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357739	0	34	-1.0	-50.64	320.68	-3.80	-54.44
CC12CCC(CNC(=O)CSC3=NNC(=O)[N-]3)(CC1)OC2	REAL300024357740	0	40	-1.0	-43.32	327.52	0.48	-42.84
CSCC1=NOC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357741	0	31	-1.0	-45.39	310.24	-2.48	-47.87
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CC(C)(C)OC(=O)C1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024357743	0	45	-1.0	-45.40	368.76	2.61	-42.79
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CC1CCC(C2CCCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357753	0	48	-1.0	-43.33	365.42	5.19	-38.14
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CC(C)(C)C1=NOC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357755	0	36	-1.0	-43.84	327.24	-1.92	-45.76
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CC12CC(NC(=O)CSC3=NNC(=O)[N-]3)(C1)C1(CCOCC1)O2	REAL300024357758	0	42	-1.0	-42.45	342.10	-1.19	-43.64
CC1NC(=O)OC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024357759	0	38	-1.0	-49.95	317.71	-1.48	-51.43
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COC(C1CC1)C(F)(F)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357762	0	36	-1.0	-43.69	326.33	0.04	-43.65
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CCCCCCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357765	0	47	-1.0	-43.29	377.10	5.39	-37.90
COC(=O)C1(CCCNC(=O)CSC2=NNC(=O)[N-]2)CC1(F)F	REAL300024357766	0	38	-1.0	-47.89	355.04	1.61	-46.28
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1CCC1	REAL300024357767	0	36	-1.0	-48.47	316.32	1.20	-47.27
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CN1C=C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024357769	0	33	-1.0	-45.16	301.53	2.49	-42.67
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CC(C)=C(Br)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357774	0	29	-1.0	-42.48	284.75	0.35	-42.13
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COC(=O)C1CCCC1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357778	0	48	-1.0	-48.70	384.35	4.60	-44.10
CC1(C)NC(=O)C2(CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)O1	REAL300024357779	0	41	-1.0	-47.41	339.16	-2.35	-49.76
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CC1=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(C(F)(F)F)=CO1	REAL300024357783	0	32	-1.0	-45.29	314.64	0.59	-44.70
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COC(=O)CC1CCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2C1	REAL300024357786	0	48	-1.0	-46.97	385.72	4.62	-42.35
COC(=O)C1(C2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024357787	0	43	-1.0	-47.33	362.21	3.98	-43.35
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CN(C)C1(C(N)=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357792	0	35	-1.0	-46.03	301.16	-3.89	-49.92
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CC(C)(C)OC(=O)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357794	0	44	-1.0	-50.11	377.97	-3.20	-53.31
COC1=CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=C1F	REAL300024357795	0	37	-1.0	-47.89	334.50	2.37	-45.52
CCOC1(OCC)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357796	0	43	-1.0	-42.74	348.85	1.83	-40.91
COC(=O)C1(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CCC1	REAL300024357797	0	45	-1.0	-49.40	360.70	3.76	-45.64
CN1C=CN=C1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357798	0	39	-1.0	-50.85	331.82	2.77	-48.08
C#CCC1(C(=O)OC)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357799	0	37	-1.0	-46.11	332.62	2.50	-43.61
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(C2=CC=CC=C2)=NS1	REAL300024357800	0	35	-1.0	-45.00	336.46	2.22	-42.78
COC1(OC)CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024357801	0	38	-1.0	-45.99	333.31	0.23	-45.76
COC(=O)COC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357802	0	33	-1.0	-50.10	311.65	0.17	-49.93
CC(C)(C)OC(=O)N1CCOC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024357803	0	48	-1.0	-48.21	397.32	0.86	-47.35
CC(C)(C)OC(=O)NC1CCCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024357804	0	50	-1.0	-46.81	410.95	2.03	-44.78
CC(C)(C)OC(=O)N1CCC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024357805	0	53	-1.0	-49.76	428.15	4.03	-45.73
CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357806	0	47	-1.0	-47.10	384.66	2.59	-44.51
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C(F)(F)F)C(F)(F)C1	REAL300024357807	0	32	-1.0	-47.53	297.06	1.99	-45.54
COC(=O)C1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024357808	0	36	-1.0	-45.72	313.84	0.59	-45.13
COC(=O)C(C)(C)C1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357809	0	42	-1.0	-45.74	351.35	3.23	-42.51
CC(C)(C)O[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357810	0	42	-1.0	-43.26	340.74	2.16	-41.10
CC(C)(C)O[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357811	0	42	-1.0	-43.30	340.63	2.17	-41.13
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC=C1)C1=CC=CC(Cl)=C1F	REAL300024357812	0	39	-1.0	-46.69	371.18	5.67	-41.02
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CC1(C)CCCOC1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357814	0	42	-1.0	-44.46	339.65	0.57	-43.89
O=C(CSC1=NNC(=O)[N-]1)NCCCCCC1=CC=C(Br)C=C1	REAL300024357815	0	41	-1.0	-44.50	381.24	4.59	-39.91
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)N1CC(NC(=O)C(F)(F)F)C1	REAL300024357816	1	30	-1.0	-46.51	301.33	-1.73	-48.24
CC(C)(C)OC(=O)NC1(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024357817	0	47	-1.0	-46.61	389.49	1.23	-45.38
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C2OCCOC2=C1	REAL300024357818	0	35	-1.0	-48.03	314.50	1.65	-46.38
C#CCOC(=O)[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024357819	0	36	-1.0	-43.34	324.15	1.48	-41.86
O=C(CSC1=NNC(=O)[N-]1)NCCN1C=CC2=C(Br)C=CC=C21	REAL300024357820	0	36	-1.0	-48.19	349.45	3.46	-44.73
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C=CC(Br)=C2F)C1	REAL300024357821	0	33	-1.0	-44.47	316.17	3.81	-40.66
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(C1)OCC1=CC=CC=C12	REAL300024357822	0	41	-1.0	-47.41	344.94	3.29	-44.12
CC(C)(C)OC(=O)C1(C2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024357823	0	52	-1.0	-47.05	408.17	3.24	-43.81
CCCC1(NC(=O)OC(C)(C)C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357824	0	55	-1.0	-45.72	424.65	3.50	-42.22
CC1=CC=C(NNC(=O)CSC2=NNC(=O)[N-]2)C=C1Br	REAL300024357825	0	31	-1.0	-42.86	304.24	1.55	-41.31
O=C(CSC1=NNC(=O)[N-]1)NNC1=NN=C(NC2=CC=CC=C2Cl)S1	REAL300024357826	0	35	-1.0	-44.54	353.56	2.11	-42.43
O=C(CSC1=NNC(=O)[N-]1)NNC1=CC(Cl)=NC(C2CCOCC2)=N1	REAL300024357827	0	40	-1.0	-43.86	367.13	0.39	-43.47
C#CC(CC1=CC=C(F)C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357828	0	37	-1.0	-47.01	338.57	5.08	-41.93
C#CC(CC1=CC=C(F)C=C1F)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357829	0	37	-1.0	-47.79	347.93	4.81	-42.98
O=C(CSC1=NNC(=O)[N-]1)NC(CO)CC1CCOCC1	REAL300024357830	0	40	-1.0	-44.50	332.76	-2.09	-46.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC(F)=CC(F)=C1	REAL300024357831	0	35	-1.0	-44.73	323.85	2.34	-42.39
O=C(CSC1=NNC(=O)[N-]1)NCC12CCC(C(F)(F)F)(CC1)CC2	REAL300024357832	0	42	-1.0	-43.32	348.72	2.95	-40.37
COC1=CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC(F)=C1F	REAL300024357833	0	43	-1.0	-47.14	370.85	3.89	-43.25
C#CCC1(C(=O)OC)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357834	0	40	-1.0	-46.15	343.35	3.51	-42.64
CC(C)(C)OC(=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300024357835	0	53	-1.0	-44.82	419.60	2.90	-41.92
CC(C)(C)OC(=O)NCC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357836	0	52	-1.0	-46.23	409.66	2.46	-43.77
COCCN1C=CC(NNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024357837	0	35	-1.0	-46.50	325.86	-0.99	-47.49
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)C1=CC2=CC=CC=C2N1	REAL300024357838	0	34	-1.0	-44.97	320.50	-0.45	-45.42
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C(F)F)N(C2=CC=NC=C2)N=C1	REAL300024357839	0	35	-1.0	-46.78	328.39	0.71	-46.07
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C(F)F)N(C2=CC=[NH+]C=C2)N=C1	REAL300024357839	1	36	0.0	-70.47	331.75	1.16	-69.31
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC=C1)C1=CC(F)=CC(Cl)=C1	REAL300024357840	0	39	-1.0	-43.75	372.04	5.47	-38.28
COCCOCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024357841	0	41	-1.0	-46.56	353.20	-1.06	-47.62
COC1=CC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2=C1	REAL300024357842	0	37	-1.0	-44.83	319.86	2.47	-42.36
COC(=O)[C@H]1C[C@H](O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357843	0	36	-1.0	-46.72	316.25	-1.58	-48.30
COC(=O)C(C)(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357844	0	44	-1.0	-49.15	352.09	3.05	-46.10
CN(CC1=CC(F)=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357845	0	32	-1.0	-43.82	298.92	2.94	-40.88
CCCCC1=CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024357846	0	44	-1.0	-44.29	381.33	4.62	-39.67
O=C(CSC1=NNC(=O)[N-]1)NCC1C[C@@H]2CCCC[C@H]2O1	REAL300024357847	0	40	-1.0	-44.06	332.94	0.60	-43.46
CCS(=O)(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024357848	0	36	-1.0	-49.48	331.36	-3.27	-52.75
COC1=CC=C(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1F	REAL300024357849	0	43	-1.0	-46.68	364.55	3.84	-42.84
COC1=CC=CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357850	0	36	-1.0	-45.24	320.64	2.29	-42.95
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(C(F)(F)F)C1	REAL300024357851	0	32	-1.0	-45.48	300.68	0.88	-44.60
CC(F)(F)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357852	0	35	-1.0	-46.21	300.82	2.37	-43.84
COC1=CC=CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1F	REAL300024357853	0	43	-1.0	-51.03	363.16	3.78	-47.25
CN(C)S(=O)(=O)CC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357854	0	44	-1.0	-49.56	369.11	-2.82	-52.38
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(C2=CC=C(Cl)C=C2)CC1	REAL300024357855	0	40	-1.0	-45.05	350.73	1.99	-43.06
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357856	0	45	-1.0	-43.80	369.95	3.12	-40.68
COC1=CN=CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357857	0	35	-1.0	-47.58	315.63	0.48	-47.10
COC1=CC=C(C(CNC(=O)CSC2=NNC(=O)[N-]2)C(F)F)C=C1	REAL300024357858	0	39	-1.0	-47.00	347.27	1.80	-45.20
COC1=CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=C1F	REAL300024357859	0	43	-1.0	-47.07	364.58	3.82	-43.25
CC(C)(O)CCC1=CC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2=C1	REAL300024357860	0	49	-1.0	-44.39	403.11	3.43	-40.96
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC(O)=CC(F)=C2C1	REAL300024357861	0	34	-1.0	-45.24	306.96	0.35	-44.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=CC=C(O)C=C2)C1	REAL300024357862	0	40	-1.0	-45.62	339.85	1.61	-44.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC2=CC=C(O)C=C21	REAL300024357863	0	35	-1.0	-47.75	309.59	-2.20	-49.95
C[NH+](C)CCCN(CCC(N)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357864	0	44	0.0	-70.18	369.23	-0.23	-70.41
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(C2CCOC2)=CC=N1	REAL300024357865	0	36	-1.0	-48.38	318.88	1.07	-47.31
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1OC1COC1	REAL300024357866	0	35	-1.0	-44.80	314.17	-0.39	-45.19
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=CC2=C(Cl)C=CC=C12	REAL300024357867	0	31	-1.0	-46.56	301.14	1.72	-44.84
O=C(CSC1=NNC(=O)[N-]1)NCC1=NNC(=O)C2=CC=CC=C21	REAL300024357868	0	34	-1.0	-48.79	317.13	-1.30	-50.09
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CN=C1Br	REAL300024357869	0	29	-1.0	-43.95	293.29	-1.16	-45.11
COC(=O)C1=CC=CC(C(C)(CO)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357870	0	42	-1.0	-49.05	365.64	-0.45	-49.50
CC1=CC(C2=NC=CN2)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357871	0	36	-1.0	-47.12	324.27	2.11	-45.01
COC1=CC=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)C=C1F	REAL300024357872	0	46	-1.0	-51.87	379.25	4.14	-47.73
CN1CCCC(N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1=O	REAL300024357873	0	42	-1.0	-45.86	346.49	-3.01	-48.87
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
CS(=O)(=O)NC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300024357875	0	34	-1.0	-46.94	335.86	-1.99	-48.93
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(C2=NNC=N2)=C1	REAL300024357876	0	35	-1.0	-50.42	329.10	1.72	-48.70
COC(=O)[C@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357877	0	35	-1.0	-47.07	308.51	1.54	-45.53
CCOC(=O)[C@@H]1CCC=CCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357878	0	45	-1.0	-46.74	360.73	3.98	-42.76
CCN1CCCC(N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1=O	REAL300024357879	0	45	-1.0	-47.63	373.24	-2.05	-49.68
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300024357880	0	34	-1.0	-48.31	334.22	2.68	-45.63
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300024357881	0	40	0.0	-67.24	322.85	-0.80	-68.04
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COC[C@H]1N1CCCC1	REAL300024357881	1	39	-1.0	-42.89	327.34	-2.72	-45.61
CC1=NN(C2=CC=CC=C2)N=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357882	0	35	-1.0	-51.66	326.35	2.25	-49.41
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC2=CN=CC=C21	REAL300024357883	0	37	-1.0	-46.43	328.22	2.08	-44.35
O=C(CSC1=NNC(=O)[N-]1)N1CCC[NH2+]C(C2=CC=CC=C2)C1	REAL300024357884	0	42	0.0	-71.42	342.64	3.73	-67.69
O=C(CSC1=NNC(=O)[N-]1)N1CCCNC(C2=CC=CC=C2)C1	REAL300024357884	1	41	-1.0	-45.81	340.25	2.51	-43.30
CC(C)(C#N)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357885	0	36	-1.0	-47.06	324.75	2.68	-44.38
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC2(CC2(F)F)CC1	REAL300024357886	0	39	-1.0	-47.15	332.57	2.41	-44.74
N#CC(C#N)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357887	0	34	-1.0	-50.06	309.66	2.07	-47.99
CCOC(=O)C1=NN(C)C2=C1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024357888	0	42	-1.0	-52.98	367.97	2.35	-50.63
O=C(CSC1=NNC(=O)[N-]1)NC1(CCO)CCCSC1	REAL300024357889	0	37	-1.0	-48.28	312.70	-1.21	-49.49
COC(=O)C1CC(F)(F)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357890	0	35	-1.0	-47.51	312.39	2.68	-44.83
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CNC2=CC(F)=CC(F)=C12	REAL300024357891	0	36	-1.0	-49.24	339.48	1.78	-47.46
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357892	0	39	-1.0	-55.87	345.52	-1.70	-57.57
CCOC(=O)C1N(C(=O)CSC2=NNC(=O)[N-]2)CCC1(F)F	REAL300024357893	0	35	-1.0	-49.48	323.25	2.75	-46.73
O=C(CSC1=NNC(=O)[N-]1)NC(CC1=CC=CC=C1)C1=CC=CO1	REAL300024357894	0	39	-1.0	-45.93	354.34	3.73	-42.20
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC=CC=C2C1C1=CC=CN=C1	REAL300024357895	0	42	-1.0	-46.77	358.42	4.85	-41.92
CN1N=CC=C1C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CN=C1	REAL300024357896	0	38	-1.0	-48.90	346.00	0.54	-48.36
CN1C=C(C(NC(=O)CSC2=NNC(=O)[N-]2)C2CCC2)C=N1	REAL300024357897	0	39	-1.0	-45.99	336.90	1.37	-44.62
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1=NC=CC(C(F)(F)F)=N1	REAL300024357898	0	36	-1.0	-44.94	334.36	0.64	-44.30
CC(C)C1CC2=CC(F)=CC=C2N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357899	0	42	-1.0	-42.86	347.60	5.24	-37.62
CN1N=CC=C1C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024357900	0	39	-1.0	-47.40	351.10	2.32	-45.08
CCCCCNC(=O)C1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357901	0	45	-1.0	-48.69	386.14	2.62	-46.07
C[NH+](C)CCN1C=NC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C21	REAL300024357902	0	44	0.0	-79.21	376.41	4.26	-74.95
CN1N=NC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1C(F)(F)F	REAL300024357903	0	31	-1.0	-45.58	303.58	-2.00	-47.58
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357904	0	54	0.0	-73.52	435.38	4.60	-68.92
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357904	1	54	0.0	-75.42	438.98	4.83	-70.59
CCOC(=O)C1=C(NC(=O)CSC2=NNC(=O)[N-]2)N=C2CCCCN21	REAL300024357905	0	42	-1.0	-50.80	364.58	3.78	-47.02
COC(=O)C1=NC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2S1	REAL300024357906	0	34	-1.0	-48.72	336.56	0.87	-47.85
COCC1(NC(=O)CSC2=NNC(=O)[N-]2)CC(F)(F)C1	REAL300024357907	0	33	-1.0	-44.86	303.90	-0.83	-45.69
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OCC2=NNC=N2)C=C1	REAL300024357908	0	36	-1.0	-52.67	333.76	1.10	-51.57
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OCC2=NN=CN2)C=C1	REAL300024357908	1	36	-1.0	-50.72	332.48	1.59	-49.13
CN1C=C(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CN=C2)C=N1	REAL300024357909	0	38	-1.0	-49.77	349.25	0.86	-48.91
O=C(CSC1=NNC(=O)[N-]1)NC1CC12CCC1=CC(Br)=CC=C12	REAL300024357910	0	37	-1.0	-44.46	349.55	4.11	-40.35
COC1=CC(C)=NC(C)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357911	0	35	-1.0	-47.34	318.04	-0.14	-47.48
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357911	1	36	0.0	-59.92	320.98	0.25	-59.67
O=C(CSC1=NNC(=O)[N-]1)N[C@H](C1CCOCC1)C(F)(F)F	REAL300024357912	0	36	-1.0	-43.74	314.70	0.06	-43.68
COC(=O)C1=CC=C2NC(NC(=O)CSC3=NNC(=O)[N-]3)=NC2=C1	REAL300024357913	0	35	-1.0	-45.42	328.21	2.80	-42.62
CC(=O)C1=CC=C(Br)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357914	0	31	-1.0	-47.82	306.22	2.26	-45.56
CC(=O)C1=CC(F)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357915	0	31	-1.0	-45.02	292.75	1.73	-43.29
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2=NC=CN2)C=C1Cl	REAL300024357916	0	33	-1.0	-45.54	320.55	1.87	-43.67
CN1C=NC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C1=O	REAL300024357917	0	34	-1.0	-50.83	314.74	1.41	-49.42
C[NH+]1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2CO)CC1	REAL300024357918	0	49	0.0	-79.16	365.21	0.38	-78.78
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2N=CN(C3=CC=CC=C3)C(=O)C2=C1	REAL300024357919	0	41	-1.0	-49.38	372.72	4.72	-44.66
CC1C2=CN=CC=C2CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357920	0	35	-1.0	-45.16	304.02	2.12	-43.04
CCOC(=O)CC1(NC(=O)CSC2=NNC(=O)[N-]2)CS(=O)(=O)C1	REAL300024357921	0	38	-1.0	-51.56	349.43	-2.06	-53.62
C#CC(CC1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357922	0	38	-1.0	-45.05	328.27	1.62	-43.43
O=C(CSC1=NNC(=O)[N-]1)N1CCC12CCCS(=O)(=O)C2	REAL300024357923	0	36	-1.0	-55.21	305.56	-0.54	-55.75
CCOC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1(C)C(F)F	REAL300024357924	0	41	-1.0	-46.22	353.56	2.94	-43.28
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=CC(F)=C2)CCCCC1	REAL300024357925	0	42	-1.0	-44.19	346.80	4.53	-39.66
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300024357926	0	48	0.0	-62.99	382.00	6.24	-56.75
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=C(Cl)C=C2)CCCCCC1	REAL300024357927	0	45	-1.0	-44.47	363.45	5.87	-38.60
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC2=CC=CC=C2C1	REAL300024357928	0	39	-1.0	-44.85	323.91	3.40	-41.45
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC(O)=CC=C1Br	REAL300024357929	0	33	-1.0	-46.04	322.60	-0.80	-46.84
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COC[C@H]1N1CCOCC1	REAL300024357930	0	40	-1.0	-44.05	334.36	-4.25	-48.30
C[NH+]1CCC(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024357931	0	45	0.0	-73.37	368.29	4.36	-69.01
CC(C)(CC[NH+]1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357932	0	44	0.0	-70.48	346.00	2.10	-68.38
O=C(CSC1=NNC(=O)[N-]1)NC1=NC2=C(S1)C(=O)COC2	REAL300024357933	0	29	-1.0	-46.52	289.12	-1.81	-48.33
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)N1	REAL300024357934	0	39	-1.0	-50.44	339.96	0.83	-49.61
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
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CN=C2CCCCN12	REAL300024357935	0	39	-1.0	-47.13	330.54	1.61	-45.52
C[N@@H+]1CCOCC2(COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357936	0	44	0.0	-61.54	330.79	2.35	-59.19
C[N@H+]1CCOCC2(COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357936	1	44	0.0	-53.23	330.45	0.49	-52.74
CN1CCOCC2(COCCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024357936	1	43	-1.0	-44.34	333.83	0.62	-43.72
COC(=O)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)CS1(=O)=O	REAL300024357937	0	35	-1.0	-54.72	330.82	-3.27	-57.99
O=C(CSC1=NNC(=O)[N-]1)N1[C@H](C(F)(F)F)C[C@@H]2CCCC[C@@H]21	REAL300024357938	0	39	-1.0	-44.92	321.43	3.69	-41.23
COC1=NSC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357939	0	32	-1.0	-43.55	310.42	-2.42	-45.97
O=C(CSC1=NNC(=O)[N-]1)NC1CCN2C(=O)NN=C2C1	REAL300024357940	0	33	-1.0	-50.21	300.09	-1.85	-52.06
O=C(CSC1=NNC(=O)[N-]1)NC1C2CC3CC1CC(O)(C3)C2	REAL300024357941	0	41	-1.0	-44.09	323.56	-0.69	-44.78
O=C(CSC1=NNC(=O)[N-]1)OC1=CC=C(C(=O)NC2CCOCC2)C=C1	REAL300024357942	0	43	-1.0	-46.15	378.74	2.46	-43.69
COC1=CC=C2NC3=C(CCCC3NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024357943	0	44	-1.0	-44.94	375.18	2.08	-42.86
O=C(CSC1=NNC(=O)[N-]1)NC1CS(=O)(=O)C12CCCCC2	REAL300024357944	0	39	-1.0	-49.04	333.23	-0.98	-50.02
O=C(CSC1=NNC(=O)[N-]1)NC1=CC2=C(C=C1Cl)OCCC2	REAL300024357945	0	34	-1.0	-42.70	316.58	1.98	-40.72
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(F)C=C1OCC1CCCCC1	REAL300024357946	0	46	-1.0	-42.05	387.36	4.54	-37.51
CNC(=O)C1COCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357947	0	34	-1.0	-51.06	296.19	-2.07	-53.13
COC1=NC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C2C=C1	REAL300024357948	0	35	-1.0	-46.05	321.13	-0.38	-46.43
CN1N=CC=C1C12CC(C1)CN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024357949	0	37	-1.0	-49.82	320.05	1.88	-47.94
COC1=CC=C(C(C)(O)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024357950	0	40	-1.0	-44.72	348.15	-1.67	-46.39
CC(C)(CO)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357951	0	39	-1.0	-46.85	310.44	-0.03	-46.88
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCOC2=CC=C(O)C=C21	REAL300024357952	0	35	-1.0	-47.42	309.62	-2.20	-49.62
CC(C)N(CCC1=CC=C(F)C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357953	0	41	-1.0	-48.21	358.31	5.16	-43.05
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](O)C[C@H]1C1=CC=CC=C1	REAL300024357954	0	40	-1.0	-45.78	333.41	1.00	-44.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCNC(=O)C2=C1C=CN2	REAL300024357955	0	35	-1.0	-49.93	309.17	-2.77	-52.70
COC1=CC2=C(C=C1O)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2C	REAL300024357956	0	41	-1.0	-47.05	349.44	1.02	-46.03
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(N2C=C(Br)C=N2)CC1	REAL300024357957	0	36	-1.0	-44.98	341.14	1.20	-43.78
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357958	0	46	-1.0	-44.93	380.07	0.59	-44.34
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357959	0	37	-1.0	-45.17	345.47	2.16	-43.01
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300024357960	0	33	-1.0	-45.69	322.32	2.72	-42.97
CC1(CO)CC(F)(F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024357961	0	33	-1.0	-46.28	291.54	-0.01	-46.29
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCC1C1=CC=CC=C1	REAL300024357962	0	42	-1.0	-44.34	343.70	5.10	-39.24
COC(=O)C1(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CCC1	REAL300024357963	0	42	-1.0	-46.94	362.61	3.80	-43.14
CC1=C(Br)C=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024357964	0	32	-1.0	-43.26	301.73	2.69	-40.57
O=C(CSC1=NNC(=O)[N-]1)NC12CC3CC(CC(CO)(C3)C1)C2	REAL300024357965	0	44	-1.0	-44.99	339.14	-0.56	-45.55
CN(C(=O)CSC1=NNC(=O)[N-]1)C(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL300024357966	0	41	-1.0	-46.02	373.08	4.96	-41.06
O=C(CSC1=NNC(=O)[N-]1)NC1(C(F)(F)F)CC2(CCC2)C1	REAL300024357967	0	36	-1.0	-44.43	320.77	1.97	-42.46
O=C(CSC1=NNC(=O)[N-]1)NC1(CCC(F)(F)F)CC1	REAL300024357968	0	32	-1.0	-45.59	305.03	1.26	-44.33
CC(=O)C1=CC=C(C)C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357969	0	34	-1.0	-54.22	309.40	2.10	-52.12
NC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300024357970	0	31	-1.0	-43.21	303.42	-0.70	-43.91
CS(=O)(=O)NCC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024357971	0	40	-1.0	-54.15	373.89	-2.34	-56.49
COC(=O)CC1(N(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024357972	0	35	-1.0	-45.34	309.56	1.92	-43.42
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=NN1CCN1CCOCC1	REAL300024357973	0	42	-1.0	-44.92	358.37	-1.26	-46.18
CN1N=CC=C1C1=NNN=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357974	0	32	-1.0	-46.93	308.18	-1.86	-48.79
CC1=NN(C2=CC=CC=C2)N=C1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357975	0	41	-1.0	-46.27	369.23	1.94	-44.33
CC(C)C1=C(C2=CC=CC=C2)NN=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357976	0	42	-1.0	-48.16	362.03	3.93	-44.23
CC(C)C1=C(NC(=O)CSC2=NNC(=O)[N-]2)NN=C1C1=CC=CC=C1	REAL300024357976	1	42	-1.0	-44.79	357.77	3.90	-40.89
COC(=O)C(CC1=CC=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357977	0	38	-1.0	-50.01	353.99	2.89	-47.12
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(C(F)F)CC1	REAL300024357978	0	38	-1.0	-45.55	319.14	1.78	-43.77
CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)CC1=CC=C(F)C=C1F	REAL300024357979	0	41	-1.0	-47.65	355.30	5.29	-42.36
C=CCN(CCC(=O)OC)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357980	0	35	-1.0	-46.38	321.55	2.27	-44.11
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=C(Cl)N=C2)CCC1	REAL300024357981	0	35	-1.0	-48.21	324.12	1.31	-46.90
CS(=O)(=NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Br)C=C1	REAL300024357982	0	31	-1.0	-55.35	319.47	0.27	-55.08
CN1CC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2C1=O	REAL300024357983	0	34	-1.0	-50.72	310.15	0.69	-50.03
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357984	0	42	-1.0	-48.51	374.18	3.35	-45.16
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)[C@@](C)(O)C1=CC=CC=C1	REAL300024357985	0	39	-1.0	-43.48	333.10	-0.00	-43.48
CC1=CC(O)=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024357986	0	30	-1.0	-44.60	293.63	-0.90	-45.50
CC(=O)NC1=C(F)C=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300024357987	0	33	-1.0	-47.52	312.05	-0.15	-47.67
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
O=C(CSC1=NNC(=O)[N-]1)NC1=NN=C(C2=CC=CC(F)=C2)S1	REAL300024357988	1	31	-1.0	-49.82	315.81	1.91	-47.91
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H](C2CCCCC2)C[C@H]1C(F)(F)F	REAL300024357989	0	45	-1.0	-45.31	367.54	4.96	-40.35
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=NO2)CC1	REAL300024357990	0	35	-1.0	-48.39	307.40	2.22	-46.17
CC(C)N(CC(=O)N(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357991	0	38	-1.0	-50.74	320.71	1.03	-49.71
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(C2CCC(=O)NC2)N=C1	REAL300024357992	0	37	-1.0	-51.68	328.25	-2.28	-53.96
O=C(CSC1=NNC(=O)[N-]1)NC(CF)C1=CC=C(F)C=C1F	REAL300024357993	0	32	-1.0	-47.15	305.87	1.95	-45.20
COC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357994	0	39	-1.0	-48.69	324.78	2.09	-46.60
CCOC(=O)C(CC1=CSC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024357995	0	38	-1.0	-44.37	352.37	2.19	-42.18
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2NC(=O)C3(CCCCC3)C2=C1	REAL300024357996	0	44	-1.0	-45.73	364.47	2.03	-43.70
CCOC(=O)C1CCC2=C1N=C(NC(=O)CSC1=NNC(=O)[N-]1)S2	REAL300024357997	0	38	-1.0	-44.93	353.87	2.39	-42.54
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
O=C(CSC1=NNC(=O)[N-]1)NC1=CN2C(=NN=C2C2=CC=C(F)C=C2)C=C1	REAL300024357998	0	38	-1.0	-48.65	354.11	4.58	-44.07
C[C@@H](CC1=C(F)C=CC=C1F)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024357999	0	38	-1.0	-44.67	332.56	4.56	-40.11
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1C1=CC=C(O)C=C1	REAL300024358000	0	40	-1.0	-44.48	332.97	1.51	-42.97
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@@H+]2CCCC2C12CCC2	REAL300024358001	0	43	0.0	-66.57	326.50	3.18	-63.39
O=C(CSC1=NNC(=O)[N-]1)N1CC[N@H+]2CCCC2C12CCC2	REAL300024358001	1	43	0.0	-66.67	326.30	3.33	-63.34
CC1=CC=C2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024358002	0	39	-1.0	-45.11	329.80	5.11	-40.00
CN(C(=O)CSC1=NNC(=O)[N-]1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300024358003	0	42	-1.0	-44.70	357.59	6.31	-38.39
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=CC=C2)CCOC1	REAL300024358004	0	37	-1.0	-45.81	316.75	0.74	-45.07
O=C(CSC1=NNC(=O)[N-]1)NNC1=NN(C2CCOCC2)C=C1	REAL300024358005	0	39	-1.0	-45.86	343.24	-0.07	-45.93
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2C=CNC(=O)C2=C1	REAL300024358006	0	32	-1.0	-58.57	299.30	-0.02	-58.59
O=C(CSC1=NNC(=O)[N-]1)NC1CCC1C1=CC=CC=C1Cl	REAL300024358007	0	36	-1.0	-44.26	331.46	3.12	-41.14
CC1=CC2=CC=CN=C2C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358008	0	34	-1.0	-46.88	308.96	1.96	-44.92
O=C(CSC1=NNC(=O)[N-]1)N1CCCC12CCCS(=O)(=O)C2	REAL300024358009	0	39	-1.0	-52.42	312.27	-0.05	-52.47
COC(=O)C1(C)CC(F)(F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358010	0	35	-1.0	-45.84	316.08	2.57	-43.27
CN(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358011	0	34	-1.0	-48.73	319.05	3.66	-45.07
COCCC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024358012	0	40	-1.0	-43.45	330.41	-0.06	-43.51
COC1=CC=C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C=C1F	REAL300024358013	0	43	-1.0	-47.50	359.87	3.47	-44.03
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2)C(F)(CO)C1	REAL300024358014	0	37	-1.0	-48.73	315.88	-0.82	-49.55
O=C(CSC1=NNC(=O)[N-]1)NC1=NC=NN1C1=CC=NC=C1	REAL300024358015	0	31	-1.0	-47.63	296.02	3.55	-44.08
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C(C)C=C1Cl	REAL300024358016	0	32	-1.0	-42.98	301.09	2.67	-40.31
O=C(CSC1=NNC(=O)[N-]1)N(CC1=CSC=C1)C1CC1	REAL300024358017	0	33	-1.0	-43.81	305.30	3.24	-40.57
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
CSC1=NN=C(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024358018	1	25	-1.0	-48.46	274.23	-0.63	-49.09
CC(C)(C)C1=CC=C(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C=C1	REAL300024358019	0	48	-1.0	-45.09	388.07	5.27	-39.82
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL300024358020	0	36	-1.0	-45.22	340.29	3.27	-41.95
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
O=C(CSC1=NNC(=O)[N-]1)NC1=NN=C(CC2CC2)S1	REAL300024358021	1	31	-1.0	-50.14	304.42	1.16	-48.98
CC1(C)NC(=O)N(NC(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024358022	0	31	-1.0	-51.66	295.60	-3.24	-54.90
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCSCC2)CC1	REAL300024358023	0	37	-1.0	-43.52	316.12	2.19	-41.33
N#CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300024358024	0	33	-1.0	-49.04	320.33	2.04	-47.00
CC12CC(C#N)(C1)C1(CN(C(=O)CSC3=NNC(=O)[N-]3)C1)O2	REAL300024358025	0	36	-1.0	-51.28	327.28	1.19	-50.09
CN1C=CN=C1C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358026	0	39	-1.0	-50.54	325.12	2.56	-47.98
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1OCC1CCCCC1	REAL300024358027	0	46	-1.0	-44.23	381.76	4.46	-39.77
CC(C)OC1=CC=C(NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024358028	0	44	-1.0	-45.68	378.37	0.61	-45.07
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
COC(=O)C1=CC2=C(CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024358030	0	39	-1.0	-51.74	354.41	3.82	-47.92
COC(=O)[C@@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]2OC(C)(C)O[C@@H]12	REAL300024358031	0	44	-1.0	-45.74	379.24	0.11	-45.63
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
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC(F)=C1O	REAL300024358032	1	27	-1.0	-42.42	281.15	-1.42	-43.84
CC(C)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024358033	0	35	-1.0	-42.12	313.16	2.77	-39.35
CC1=CN2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2=N1	REAL300024358034	0	36	-1.0	-47.82	312.52	2.20	-45.62
CN1CC2(CC1=O)CCCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358035	0	40	-1.0	-47.75	330.86	1.25	-46.50
O=C(CSC1=NNC(=O)[N-]1)NCC1(C(F)(F)F)CC2(CCC2)C1	REAL300024358036	0	39	-1.0	-42.69	339.56	2.71	-39.98
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCC2=CC=CC=C2C1	REAL300024358037	0	42	-1.0	-45.11	354.77	3.92	-41.19
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC(F)(F)CC1	REAL300024358038	0	38	-1.0	-44.84	317.19	1.89	-42.95
CC(C)(C)OC(=O)N1CCC(CF)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358039	0	46	-1.0	-51.25	382.61	0.83	-50.42
CC1(C)CC(CO)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358040	0	39	-1.0	-45.08	325.32	-1.87	-46.95
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300024358041	0	42	-1.0	-44.67	365.64	5.09	-39.58
CCOC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CC2(CC(F)(F)C2)C1	REAL300024358042	0	42	-1.0	-47.23	376.50	2.86	-44.37
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1CC(F)F	REAL300024358043	0	33	-1.0	-43.86	286.60	0.09	-43.77
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2(CC2(F)F)C1	REAL300024358044	0	33	-1.0	-44.16	303.04	1.43	-42.73
CN(C)S(=O)(=NC(=O)CSC1=NNC(=O)[N-]1)N1CCOCC1	REAL300024358045	0	39	-1.0	-53.95	345.46	-2.12	-56.07
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2CCC2)C=C1	REAL300024358046	0	35	-1.0	-43.81	305.77	-0.19	-44.00
O=C(CSC1=NNC(=O)[N-]1)NC1=NOC(C2=CC3=CC=CN=C3C=C2)=C1	REAL300024358047	0	37	-1.0	-45.95	343.26	3.20	-42.75
O=C(CSC1=NNC(=O)[N-]1)NC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300024358048	0	32	-1.0	-43.42	318.92	3.35	-40.07
CC1=C(C2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=NO2)C=CO1	REAL300024358049	0	32	-1.0	-44.25	306.67	1.75	-42.50
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC2C1C2(F)F	REAL300024358050	0	33	-1.0	-43.79	293.20	1.22	-42.57
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2(CO)CCCC2)C=C1	REAL300024358051	0	43	-1.0	-45.87	355.61	1.24	-44.63
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300024358052	0	41	0.0	-66.24	339.00	1.05	-65.19
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1C1=NC2=CC=CC=C2O1	REAL300024358053	0	39	-1.0	-50.66	339.78	-0.09	-50.75
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300024358054	0	36	-1.0	-43.76	337.46	1.47	-42.29
O=C(CSC1=NNC(=O)[N-]1)NC1=NNC(CC2=CC=CC=C2)=C1	REAL300024358055	0	36	-1.0	-45.87	330.27	2.48	-43.39
CC(C)(C)C1=CC=CN=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358056	0	40	-1.0	-44.66	331.59	1.50	-43.16
CC(C)(C)OC(=O)NCC1(O)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358057	0	50	-1.0	-47.30	404.08	-1.33	-48.63
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
COC(=O)C1=CON=C1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358064	0	41	-1.0	-49.22	361.32	2.60	-46.62
COC(=O)C1CN2C=CN=C2CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358065	0	39	-1.0	-52.25	342.20	2.41	-49.84
NS(=O)(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358066	0	32	-1.0	-52.79	307.46	-7.86	-60.65
CN1C=CN=C1C1=CC2CCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024358067	0	41	-1.0	-49.62	343.03	3.98	-45.64
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCC2C1OCC1=CC=CC=C1	REAL300024358068	0	47	-1.0	-47.82	397.19	4.07	-43.75
CC(C)(C)OC(=O)NC(C)(C)C(=O)NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358069	0	46	-1.0	-43.55	387.60	-2.23	-45.78
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(N2CCSCC2)=N1	REAL300024358070	0	38	-1.0	-49.65	338.92	2.75	-46.90
CN1N=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024358071	0	29	-1.0	-44.27	292.97	-1.12	-45.39
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(O)(C(F)F)C1	REAL300024358072	0	33	-1.0	-45.10	292.32	-1.35	-46.45
CC1=CC=C(OCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024358073	0	39	-1.0	-44.81	342.32	3.30	-41.51
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CCS(=O)(=O)CC2)CC1	REAL300024358074	0	43	-1.0	-52.93	347.51	-1.33	-54.26
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CCSCC2)CC1	REAL300024358075	0	41	-1.0	-44.28	320.66	2.76	-41.52
CCCC1=CC=C(NNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024358076	0	37	-1.0	-42.56	329.15	2.57	-39.99
CC1=CC=C([N+](=O)[O-])C(NNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024358077	0	32	-1.0	-49.54	307.73	1.00	-48.54
CC1=CC=C(C2=NC3=CC=CC=C3S2)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358078	0	41	-1.0	-53.70	376.88	4.78	-48.92
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=NC(C2CCCCC2)=NS1	REAL300024358079	1	37	-1.0	-41.90	333.14	2.11	-39.79
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC12CCOCC2	REAL300024358080	0	38	-1.0	-42.63	300.54	-0.89	-43.52
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(CC(F)(F)F)=CS1	REAL300024358081	0	31	-1.0	-47.31	319.30	-0.09	-47.40
CCOC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12COC2	REAL300024358082	0	40	-1.0	-49.38	343.42	2.06	-47.32
CS(=O)(=O)[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(F)(F)F	REAL300024358083	0	35	-1.0	-52.44	333.33	-1.50	-53.94
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)O1	REAL300024358084	0	42	-1.0	-43.30	342.16	0.82	-42.48
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCCC(O)(C2)C1	REAL300024358085	0	40	-1.0	-43.69	321.54	-1.40	-45.09
COC1=CC(C(F)CNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1Cl	REAL300024358086	0	36	-1.0	-46.16	345.74	1.52	-44.64
CC(C)(C)[N@@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358087	0	44	0.0	-64.38	341.92	1.75	-62.63
CC(C)(C)[N@H+]1CCCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358087	1	44	0.0	-64.60	337.89	2.27	-62.33
COC1=CC(F)=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1OC	REAL300024358088	0	37	-1.0	-45.97	338.33	0.07	-45.90
CC1=CC=C(C23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C=C1	REAL300024358089	0	40	-1.0	-44.26	346.76	5.34	-38.92
NS(=O)(=O)C1=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN2N=C1	REAL300024358090	0	35	-1.0	-49.72	327.42	-5.04	-54.76
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC(C3CC3)=NO2)CC1	REAL300024358091	0	41	-1.0	-46.48	347.12	2.84	-43.64
CC1=NN=C([C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024358092	0	34	-1.0	-52.07	309.12	-3.15	-55.22
CC1=NN=C([C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024358093	0	34	-1.0	-53.97	307.11	-3.06	-57.03
CC1=CC=C(C(F)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024358094	0	38	-1.0	-44.87	338.67	2.88	-41.99
COC1=CC=CC(NC(=O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358095	0	37	-1.0	-49.96	336.32	-1.47	-51.43
COC1=CC=C2C(=C1)CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024358096	0	34	-1.0	-44.01	297.95	2.04	-41.97
COC(=O)C[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358097	0	35	-1.0	-51.01	312.14	1.57	-49.44
CN1C=C(CNC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024358098	0	36	-1.0	-46.36	328.29	2.63	-43.73
COC(=O)C1(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CCCC1	REAL300024358099	0	45	-1.0	-48.19	378.94	4.36	-43.83
COC(=O)[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358100	0	43	-1.0	-49.70	379.22	3.66	-46.04
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CC1CCC2C1	REAL300024358101	0	40	-1.0	-43.17	326.73	2.61	-40.56
CS(=O)(=O)C1=C(CNC(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300024358102	0	32	-1.0	-49.37	315.59	-1.79	-51.16
CN1C(C)(CNC(=O)CSC2=NNC(=O)[N-]2)CCS1(=O)=O	REAL300024358103	0	37	-1.0	-52.32	326.98	-2.87	-55.19
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
CC1=C2C(=CC=C1)C(CCNC(=O)CSC1=NNC(=O)[N-]1)=CN2C	REAL300024358105	0	42	-1.0	-48.70	364.11	3.82	-44.88
COC(=O)C1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024358106	0	45	-1.0	-48.86	375.19	2.80	-46.06
COC(=O)C1=COC2=C1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358107	0	33	-1.0	-49.80	314.45	1.22	-48.58
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(C=CCO2)CC1	REAL300024358108	0	38	-1.0	-47.61	309.93	2.28	-45.33
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CCCO2)CC1	REAL300024358109	0	40	-1.0	-43.08	314.21	2.39	-40.69
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC2)C2=CC=CC=C21	REAL300024358110	0	37	-1.0	-44.28	312.18	4.63	-39.65
CC(C)C1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358111	0	39	-1.0	-46.02	314.40	1.37	-44.65
CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024358112	0	47	-1.0	-48.60	400.51	-1.56	-50.16
CC1(C)CCC2(CCN2C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358113	0	42	-1.0	-45.13	328.88	3.24	-41.89
O=C(CSC1=NNC(=O)[N-]1)N1CC(OC2=NC=CC=N2)C1	REAL300024358114	0	32	-1.0	-48.26	302.80	-2.45	-50.71
COC(=O)C1COCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358115	0	36	-1.0	-47.59	313.17	0.22	-47.37
COC(=O)CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024358116	0	39	-1.0	-49.25	342.78	0.22	-49.03
O=C(CSC1=NNC(=O)[N-]1)NC12CC(CO)(C1)OC21CCOCC1	REAL300024358117	0	43	-1.0	-44.75	353.52	-4.54	-49.29
CC1(C)OC2(CO)CC1(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358118	0	38	-1.0	-45.08	322.09	-3.82	-48.90
O=C(CSC1=NNC(=O)[N-]1)NC1=NC=C(CC2=CC=C(Cl)C=C2)S1	REAL300024358119	0	35	-1.0	-48.87	354.43	4.43	-44.44
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(NC(=O)CSC3=NNC(=O)[N-]3)S2)=C1	REAL300024358120	0	36	-1.0	-53.02	358.56	4.29	-48.73
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
CN(CC1CCCCC12CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358121	0	45	-1.0	-44.17	345.42	4.49	-39.68
CN(CC1COCCN1C(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358122	0	50	-1.0	-47.25	398.61	1.34	-45.91
COC(=O)[C@@H]1CC=CC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358123	0	36	-1.0	-47.69	317.96	1.48	-46.21
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NOC(CO)=C2)CC1	REAL300024358124	0	39	-1.0	-47.91	339.12	-0.67	-48.58
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=C(F)C=C1)C1CC1	REAL300024358125	0	36	-1.0	-43.11	319.91	3.73	-39.38
CC(C)(C)OC(=O)N1CCC12CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358126	0	44	-1.0	-56.57	376.84	1.53	-55.04
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300024358127	0	47	-1.0	-48.34	397.67	-1.10	-49.44
CCOC(=O)CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024358128	0	38	-1.0	-44.59	332.84	1.80	-42.79
CCCOC1=C(F)C=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358129	0	36	-1.0	-42.20	330.21	2.09	-40.11
CCCOC1=CC=C(F)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358130	0	36	-1.0	-45.02	325.62	1.95	-43.07
O=C(CSC1=NNC(=O)[N-]1)NC(CC1CC1)C1=CC=CC(Br)=C1	REAL300024358131	0	39	-1.0	-42.95	358.72	4.50	-38.45
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C2CCC(F)(F)CC2)=C1	REAL300024358132	0	42	-1.0	-44.40	361.07	4.66	-39.74
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(CO)(CO1)CCC2	REAL300024358133	0	41	-1.0	-45.33	335.77	-2.93	-48.26
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CC(C1CC1)=NO2	REAL300024358134	0	35	-1.0	-52.76	318.95	1.24	-51.52
CC(C)(C)OC(=O)NCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358135	0	52	-1.0	-47.55	407.37	2.03	-45.52
CC(C)(C)OC(=O)N1CCCC(C2CC2NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358136	0	53	-1.0	-51.47	430.69	3.25	-48.22
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)[C@H]2COC[C@H]21	REAL300024358137	0	35	-1.0	-44.02	297.51	-1.52	-45.54
CN1C=C(NC(=O)CSC2=NNC(=O)[N-]2)C(C(=O)N2CCC2)=N1	REAL300024358138	0	37	-1.0	-48.91	334.11	-0.55	-49.46
O=C(CSC1=NNC(=O)[N-]1)NCC1=CN(C2=CC=CC=C2)N=C1	REAL300024358139	0	36	-1.0	-46.96	332.78	2.05	-44.91
COC1=CC=C(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1C	REAL300024358140	0	46	-1.0	-45.73	378.43	4.50	-41.23
CC(C)(CC1=CNC2=CC=CC=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358141	0	42	-1.0	-46.96	349.98	2.45	-44.51
O=C(CSC1=NNC(=O)[N-]1)N1CCOCCC1C1=CC=CC=C1	REAL300024358142	0	40	-1.0	-46.43	329.25	2.90	-43.53
COC1=CC=CC(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C2)=C1	REAL300024358143	0	43	-1.0	-46.66	378.42	4.18	-42.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300024358144	0	49	-1.0	-49.89	404.83	1.77	-48.12
CC(C)(C)OC(=O)NCC1CC2CC1CC2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358145	0	53	-1.0	-47.12	426.31	1.30	-45.82
CN1C2=CC=CC=C2NC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024358146	0	39	-1.0	-48.28	338.94	-0.17	-48.45
CC1=NC(Cl)=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358147	0	31	-1.0	-44.36	303.03	0.25	-44.11
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C(=O)NC2CC2)CC1	REAL300024358148	0	40	-1.0	-50.34	340.89	0.92	-49.42
COC1=CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=C1C	REAL300024358149	0	46	-1.0	-45.76	378.44	4.50	-41.26
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300024358187	0	35	-1.0	-48.47	328.64	3.13	-45.34
CC1=CC=C(C2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024358188	0	45	-1.0	-44.29	370.52	5.08	-39.21
COC1=CC=C2C(=C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)C2C(C)C	REAL300024358189	0	46	-1.0	-44.95	371.21	4.63	-40.32
CC(C)(C)OC(=O)N1CC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024358190	0	53	-1.0	-48.83	420.53	3.13	-45.70
CC1(C(F)(F)F)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358191	0	35	-1.0	-43.88	300.99	2.16	-41.72
O=C(CSC1=NNC(=O)[N-]1)NC1=CC2=C(Cl)N=CC(F)=C2C=C1	REAL300024358192	0	31	-1.0	-46.37	309.62	1.61	-44.76
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C(F)(F)F)CC1	REAL300024358193	0	36	-1.0	-45.58	330.84	-0.22	-45.80
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
CN1C=C(C23CCC2CCN3C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024358194	0	40	-1.0	-50.72	337.55	2.55	-48.17
CCOC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024358195	0	42	-1.0	-45.41	348.60	3.23	-42.18
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=NN1C1CC1(F)F	REAL300024358196	0	30	-1.0	-46.80	291.14	1.34	-45.46
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1OCCO	REAL300024358197	0	34	-1.0	-47.36	309.09	-2.02	-49.38
CC1(C)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1C(F)(F)F	REAL300024358198	0	38	-1.0	-45.87	305.42	3.07	-42.80
O=C(CSC1=NNC(=O)[N-]1)NCC12CCCCC1C2(F)F	REAL300024358199	0	36	-1.0	-44.16	309.74	1.85	-42.31
CC(N(C)C(=O)CSC1=NNC(=O)[N-]1)C1(S(C)(=O)=O)CC1	REAL300024358200	0	38	-1.0	-63.02	324.53	-1.15	-64.17
O=C(CSC1=NNC(=O)[N-]1)NCCC(O)(C1=NC=CO1)C(F)(F)F	REAL300024358201	0	35	-1.0	-48.03	335.05	-4.49	-52.52
CSCC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358202	0	39	-1.0	-43.21	325.74	2.96	-40.25
CC1(CS(C)(=O)=O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358203	0	41	-1.0	-52.09	337.50	-0.30	-52.39
CC(C)(C)O[C@@H]1C[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024358204	0	49	-1.0	-44.20	397.69	2.80	-41.40
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(COC(F)(F)F)C1	REAL300024358205	0	36	-1.0	-45.80	324.02	1.30	-44.50
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=CC=C(F)C(O)=C2)C1	REAL300024358206	0	40	-1.0	-47.51	346.10	1.67	-45.84
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300024358207	0	36	-1.0	-46.55	352.42	3.84	-42.71
COC(C)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024358208	0	36	-1.0	-43.99	321.96	1.27	-42.72
O=C(CSC1=NNC(=O)[N-]1)NCC1(C(F)(F)F)CC2CCC1CC2	REAL300024358209	0	42	-1.0	-42.33	337.56	3.07	-39.26
O=C(CSC1=NNC(=O)[N-]1)NCCN1C=NC2=C(C=CS2)C1=O	REAL300024358210	0	34	-1.0	-55.02	331.28	0.91	-54.11
CCOC(=O)C12CCC(CNC(=O)CSC3=NNC(=O)[N-]3)(CC1)OC2(C)C	REAL300024358211	0	52	-1.0	-45.63	408.85	2.28	-43.35
COC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CC2CCC1CC2	REAL300024358212	0	45	-1.0	-43.83	358.05	2.83	-41.00
NS(=O)(=O)CCOC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358213	0	35	-1.0	-53.72	334.01	-5.52	-59.24
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300024358214	0	36	-1.0	-46.42	327.33	3.82	-42.60
COC(=O)[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358215	0	39	-1.0	-49.47	327.31	2.69	-46.78
COC1CC(C(=O)OC(C)(C)C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358217	0	48	-1.0	-45.67	392.53	2.81	-42.86
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CC2=CC=CC=C2)C1	REAL300024358218	0	39	-1.0	-44.66	343.04	3.71	-40.95
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC(F)(F)C1	REAL300024358219	0	35	-1.0	-42.57	295.08	2.67	-39.90
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC=C(O)C=C2CC1	REAL300024358220	0	37	-1.0	-44.53	315.97	0.98	-43.55
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CC(F)(F)F)C1	REAL300024358221	0	32	-1.0	-45.86	300.55	1.05	-44.81
CN1N=C(C(F)F)C=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358222	0	32	-1.0	-45.01	309.65	-0.77	-45.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCS(=O)(=O)C2=CC=C(F)C=C21	REAL300024358223	0	36	-1.0	-53.80	331.96	-1.32	-55.12
COC1=CC(F)=CC(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024358224	0	43	-1.0	-45.36	364.75	3.82	-41.54
CCOC(=O)CC1CCC2(CC1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024358225	0	54	-1.0	-46.48	414.72	5.70	-40.78
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1OCCO	REAL300024358226	0	37	-1.0	-47.67	335.62	-2.00	-49.67
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(F)=C(F)C(C(F)F)=C1	REAL300024358227	0	29	-1.0	-46.22	290.83	1.70	-44.52
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CCCC[C@@]2(CO)C1	REAL300024358228	0	40	-1.0	-46.91	324.07	-0.26	-47.17
O=C(CSC1=NNC(=O)[N-]1)NC1CNC(=O)CC12CCC2	REAL300024358229	0	37	-1.0	-45.84	316.10	-1.66	-47.50
COC(=O)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358230	0	38	-1.0	-51.85	324.05	2.29	-49.56
CC12CCC(CNC(=O)CSC3=NNC(=O)[N-]3)(CC1)OC2	REAL300024358231	0	40	-1.0	-43.32	327.52	0.48	-42.84
COC(=O)C12CCC(CNC(=O)CSC3=NNC(=O)[N-]3)(CC1)OC2	REAL300024358232	0	43	-1.0	-45.98	361.32	0.49	-45.49
COC(=O)C1=CC2=C(C=C(CNC(=O)CSC3=NNC(=O)[N-]3)S2)S1	REAL300024358233	0	35	-1.0	-45.49	357.26	2.19	-43.30
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300024358234	0	36	-1.0	-43.39	337.42	1.49	-41.90
C[N@@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC12CCOCC2	REAL300024358235	0	43	0.0	-65.61	337.55	-0.30	-65.91
C[N@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC12CCOCC2	REAL300024358235	1	43	0.0	-65.68	338.51	-0.11	-65.79
CNC1=CC=C(C(=O)OC)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358236	0	37	-1.0	-52.57	334.89	0.49	-52.08
COC(=O)C[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358237	0	38	-1.0	-51.80	324.05	2.29	-49.51
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1COC(F)(F)F	REAL300024358238	0	36	-1.0	-44.32	313.26	2.49	-41.83
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1=NC2=CC=C(Cl)C=C2O1	REAL300024358239	0	37	-1.0	-42.63	345.35	-0.30	-42.93
COC(=O)C[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358240	0	38	-1.0	-51.78	324.03	2.29	-49.49
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCC(NC(=O)OC(C)(C)C)C1	REAL300024358241	0	52	-1.0	-48.04	403.24	2.16	-45.88
CNS(=O)(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358242	0	32	-1.0	-51.11	308.37	-7.42	-58.53
CC1=NOC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024358243	0	35	-1.0	-47.34	315.71	2.04	-45.30
CC(=O)NC1=CC=C(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024358244	0	39	-1.0	-54.74	347.17	1.87	-52.87
CC(C)C(NC(=O)OC(C)(C)C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358245	0	51	-1.0	-44.35	408.83	1.42	-42.93
CC1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358246	0	51	-1.0	-47.79	421.38	-1.38	-49.17
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC2=C1CCOC2	REAL300024358247	0	34	-1.0	-45.23	298.53	0.99	-44.24
O=C(CSC1=NNC(=O)[N-]1)N1CCOC[C@]2(COC[C@H]3CCCCN32)C1	REAL300024358248	0	50	-1.0	-47.45	373.30	-0.22	-47.67
COC(=O)[C@@H]1CC12CC(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358249	0	36	-1.0	-45.96	326.84	1.31	-44.65
CC1=CC(Br)=CC(C)=C1CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358250	0	38	-1.0	-43.46	332.88	4.47	-38.99
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C(=O)NCC1=CC=CS1	REAL300024358251	0	40	-1.0	-47.60	371.36	2.42	-45.18
O=C(CSC1=NNC(=O)[N-]1)NCC1CC12CCC(O)CC2	REAL300024358252	0	40	-1.0	-44.86	338.31	-0.96	-45.82
CC(C)C(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)N(C)C	REAL300024358253	0	38	-1.0	-44.73	315.76	-0.57	-45.30
CC(C)(C)[C@H]1C[C@@H](CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358254	0	45	-1.0	-45.99	352.41	0.28	-45.71
O=C(CSC1=NNC(=O)[N-]1)NCC1=CNC2=CC=C(F)C=C12	REAL300024358255	0	33	-1.0	-48.06	312.35	0.98	-47.08
O=C(CSC1=NNC(=O)[N-]1)NC1CCOC2(CCSCC2)C1	REAL300024358256	0	41	-1.0	-43.71	338.39	1.03	-42.68
CC(C)(C)OC(=O)NCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024358257	0	52	-1.0	-46.66	417.90	1.43	-45.23
O=C(CSC1=NNC(=O)[N-]1)N[C@H](C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300024358258	0	35	-1.0	-45.28	329.83	2.55	-42.73
O=C(CSC1=NNC(=O)[N-]1)N[C@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F	REAL300024358259	0	35	-1.0	-43.48	341.06	2.86	-40.62
CC(C)[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CO1	REAL300024358260	0	44	0.0	-68.95	353.15	1.52	-67.43
CC(C)[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CO1	REAL300024358260	1	44	0.0	-69.32	355.88	1.91	-67.41
CC(C)N(CCNC(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CO1	REAL300024358260	1	43	-1.0	-45.89	356.23	-0.13	-46.02
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358261	0	49	-1.0	-48.97	396.51	2.27	-46.70
CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358262	0	49	-1.0	-47.94	396.72	2.32	-45.62
CNC(=O)C1=NN(C)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358263	0	33	-1.0	-46.68	306.90	-3.03	-49.71
CN1C=C(NC(=O)CSC2=NNC(=O)[N-]2)C(C(=O)N2CCOCC2)=N1	REAL300024358264	0	41	-1.0	-46.94	354.08	-1.20	-48.14
C[C@H]1CS(=O)(=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358265	0	32	-1.0	-48.35	284.97	-2.23	-50.58
C[C@@H]1CS(=O)(=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358266	0	32	-1.0	-48.35	285.00	-2.22	-50.57
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC2=C1C=C(Br)S2	REAL300024358267	0	33	-1.0	-42.54	319.37	3.99	-38.55
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(OC2=CC=C(F)C(F)=C2)=CC=N1	REAL300024358268	0	39	-1.0	-45.99	370.37	1.98	-44.01
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=CC=CC=C1	REAL300024358269	0	39	-1.0	-49.46	355.14	-0.03	-49.49
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CC=C2C[C@@H]1CO	REAL300024358270	0	37	-1.0	-44.19	311.89	1.99	-42.20
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(N2CCOC2=O)CC1	REAL300024358271	0	41	-1.0	-54.94	342.22	0.81	-54.13
COC(=O)C1(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CCC1	REAL300024358272	0	42	-1.0	-46.47	368.80	3.83	-42.64
CC(C)(C)OC(=O)NCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358273	0	46	-1.0	-49.72	395.93	-2.25	-51.97
COCC(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358274	0	36	-1.0	-54.01	329.36	-2.87	-56.88
CC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=CN=C1Cl	REAL300024358275	0	31	-1.0	-44.58	304.45	0.08	-44.50
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2C3=CC=CC=C3OCC21	REAL300024358276	0	39	-1.0	-43.93	328.09	1.40	-42.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=NC=C1Br	REAL300024358277	0	34	-1.0	-44.80	324.21	0.95	-43.85
COC(=O)C(C#N)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358278	0	39	-1.0	-47.61	341.44	2.43	-45.18
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC2=C1NC(=O)C=C2	REAL300024358279	0	32	-1.0	-49.27	295.97	0.06	-49.21
CCOC(=O)C(CC1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358280	0	40	-1.0	-50.27	365.47	1.87	-48.40
CC1=CC(O)=C(Br)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358281	0	30	-1.0	-45.92	297.09	-0.62	-46.54
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CN=C1OC(F)F	REAL300024358282	0	29	-1.0	-46.28	285.40	-1.71	-47.99
COC(=O)[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(O)C=C1	REAL300024358283	0	36	-1.0	-48.41	336.62	-0.95	-49.36
CN1C(C2CC2)=C(NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1C1=CC=CC=C1	REAL300024358284	0	44	-1.0	-62.70	389.12	4.17	-58.53
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H](N2CCOCC2)C1	REAL300024358285	0	45	-1.0	-44.78	347.82	-0.01	-44.79
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300024358286	0	36	-1.0	-44.39	331.18	4.47	-39.92
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC=C(F)N=C2)C1	REAL300024358287	0	35	-1.0	-47.82	316.03	1.81	-46.01
O=C(CSC1=NNC(=O)[N-]1)NCC1=C(F)C2=CC=CC=C2C=C1	REAL300024358288	0	35	-1.0	-46.09	324.63	3.10	-42.99
COC1=CC=C(F)C=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358289	0	33	-1.0	-44.70	308.78	0.26	-44.44
CC1=CC=C(CN2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024358290	0	44	-1.0	-43.37	366.21	2.92	-40.45
O=C(CSC1=NNC(=O)[N-]1)N1CCCCCC2=CC=CC=C2C1	REAL300024358291	0	42	-1.0	-43.54	333.78	4.67	-38.87
CN1CCCC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C21	REAL300024358292	0	38	-1.0	-46.50	317.86	1.88	-44.62
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(O)=CC(C(F)(F)F)=C1	REAL300024358293	0	30	-1.0	-44.64	297.93	-1.11	-45.75
O=C(CSC1=NNC(=O)[N-]1)NC1(CC2=CC=C(Cl)C=C2)CC1	REAL300024358294	0	36	-1.0	-43.41	332.40	3.09	-40.32
C[C@@]12CSC[C@]1(C)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358295	0	37	-1.0	-44.80	312.86	2.42	-42.38
CN(C)C1=CC=C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300024358296	0	44	-1.0	-45.57	356.73	4.22	-41.35
CC1=NN(C2=NC=CC=C2NC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1	REAL300024358297	0	38	-1.0	-47.22	337.92	3.51	-43.71
CCOC(=O)CC1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358298	0	41	-1.0	-46.96	338.53	4.00	-42.96
CCOC(=O)C(CCCOC)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358299	0	41	-1.0	-48.86	366.23	0.57	-48.29
COC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024358300	0	39	-1.0	-43.34	330.69	0.00	-43.34
CC1(C)CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358301	0	44	-1.0	-42.51	337.00	2.52	-39.99
CCOC(=O)C12CC(CO)(C1)OC21CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358302	0	45	-1.0	-52.59	390.75	-1.46	-54.05
O=C(CSC1=NNC(=O)[N-]1)NC1=CNN=C1C(=O)NC1CC1	REAL300024358303	0	34	-1.0	-45.01	315.69	-2.67	-47.68
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C(=O)NC2CC2)NN=C1	REAL300024358303	1	34	-1.0	-46.53	314.56	-2.65	-49.18
O=C(CSC1=NNC(=O)[N-]1)NC(CCO)C1=CC=C(Br)C=C1	REAL300024358304	0	36	-1.0	-43.43	337.99	-0.40	-43.83
CCCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC(F)=CC=C1F	REAL300024358305	0	38	-1.0	-43.84	337.60	3.20	-40.64
CC(C)CN1C=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024358306	0	38	-1.0	-45.42	335.15	1.10	-44.32
COC1(OC)CC2(CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024358307	0	44	-1.0	-44.76	372.97	0.66	-44.10
C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358308	0	41	-1.0	-43.77	328.60	-2.86	-46.63
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358308	1	42	0.0	-64.75	329.80	-0.66	-65.41
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358308	1	42	0.0	-65.50	326.89	-0.31	-65.81
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C1)C1=CC=CC=C1O2	REAL300024358309	0	36	-1.0	-46.99	318.46	3.71	-43.28
O=C(CSC1=NNC(=O)[N-]1)N1CC(COC(F)(F)F)C1	REAL300024358310	0	30	-1.0	-45.27	294.64	-0.31	-45.58
COC(=O)C1=CC2(CN(C(=O)CSC3=NNC(=O)[N-]3)C2)OC1	REAL300024358311	0	35	-1.0	-47.15	327.27	0.06	-47.09
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC(C(F)(F)F)=C1	REAL300024358312	0	33	-1.0	-45.62	316.69	1.03	-44.59
CCOC(=O)CC(C(F)F)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358313	0	37	-1.0	-47.43	329.86	2.92	-44.51
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2CCOC2)C1	REAL300024358314	0	38	-1.0	-43.72	318.70	-0.51	-44.23
CC12COC(CNC(=O)CSC3=NNC(=O)[N-]3)(C1)CCC2	REAL300024358315	0	40	-1.0	-43.35	326.10	0.38	-42.97
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(Br)=CNC1=O	REAL300024358316	0	29	-1.0	-50.80	298.86	-1.64	-52.44
N#CC1=CC=CC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024358317	0	38	-1.0	-50.39	338.87	1.70	-48.69
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CC2)CCCCCC1	REAL300024358318	0	42	-1.0	-43.41	321.66	3.44	-39.97
CC(C)(C)OC(=O)N1C2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358319	0	50	-1.0	-52.46	409.65	2.44	-50.02
O=C(CSC1=NNC(=O)[N-]1)N1CC(OC2=CC=CC=C2C(F)(F)F)C1	REAL300024358320	0	37	-1.0	-46.27	348.27	3.02	-43.25
CC(C)(C)OC(=O)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2CCCCC21	REAL300024358321	0	53	-1.0	-43.24	404.99	3.78	-39.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC(N2C(=O)COCC2=O)CC1	REAL300024358322	0	40	-1.0	-50.38	337.33	-0.55	-50.93
O=C(CSC1=NNC(=O)[N-]1)N1CCNS(=O)(=O)CC1	REAL300024358323	0	31	-1.0	-47.87	276.99	-3.98	-51.85
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCC1OCC1=CC=CC=C1	REAL300024358324	0	46	-1.0	-46.53	390.32	3.60	-42.93
COC1=CC2=C(C(C)NC(=O)CSC3=NNC(=O)[N-]3)N=CC=C2C=C1	REAL300024358325	0	41	-1.0	-47.93	360.10	1.34	-46.59
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C(CC1)C2(F)F	REAL300024358326	0	33	-1.0	-45.24	286.83	2.46	-42.78
NS(=O)(=O)C1=CC=CC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C21	REAL300024358327	0	37	-1.0	-53.55	343.29	-2.03	-55.58
CC(C1=CC=C(Cl)C=N1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358328	0	34	-1.0	-43.92	316.93	2.85	-41.07
COC(=O)C1=CC=C(F)C2=C1CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358329	0	39	-1.0	-46.06	344.85	3.70	-42.36
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=NN1CC(F)F	REAL300024358330	0	32	-1.0	-45.90	308.57	-0.41	-46.31
CC12CC(NC(=O)CSC3=NNC(=O)[N-]3)(C1)C1(CCC1)O2	REAL300024358331	0	38	-1.0	-42.44	320.90	0.19	-42.25
CC1=NC(C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=C(F)C=C2)=NO1	REAL300024358332	0	37	-1.0	-47.54	349.34	0.09	-47.45
COC1=CC(F)=CC(F)=C1C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024358333	0	41	-1.0	-45.05	361.00	1.96	-43.09
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300024358334	0	44	-1.0	-56.51	388.08	0.18	-56.33
CC1=NN2C=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C2=N1	REAL300024358335	0	31	-1.0	-56.03	294.58	0.90	-55.13
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300024358336	0	48	0.0	-65.29	368.07	3.59	-61.70
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@H+](C2CCCC2)C1	REAL300024358336	1	48	0.0	-65.34	368.07	3.58	-61.76
CC(C)CC1CCCCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358337	0	44	-1.0	-43.18	352.37	3.29	-39.89
CC(F)(F)CCCN(CCCC(C)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358338	0	46	-1.0	-50.41	403.32	5.80	-44.61
CN(C(=O)OCC1=CC=CC=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358339	0	47	-1.0	-52.19	402.76	4.10	-48.09
CS(=O)(=O)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024358340	0	34	-1.0	-52.85	329.79	-3.51	-56.36
CCCC(C(=O)OC)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358341	0	37	-1.0	-44.70	322.41	2.48	-42.22
COC1=CC=CC(F)=C1C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358342	0	40	-1.0	-47.75	344.93	3.87	-43.88
CCOC(=O)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024358343	0	44	-1.0	-45.92	363.46	3.61	-42.31
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(CC2=CC(F)=CC=C2F)CC1	REAL300024358344	0	44	-1.0	-45.73	366.60	3.52	-42.21
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CN(C)C2=CC=CC=C12	REAL300024358345	0	36	-1.0	-48.64	325.09	4.20	-44.44
CN1C=C(NC(=O)CSC2=NNC(=O)[N-]2)C(C2CCC2)=N1	REAL300024358346	0	36	-1.0	-44.34	318.25	1.18	-43.16
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CCCCC2O)C1	REAL300024358349	0	43	-1.0	-45.42	330.45	0.84	-44.58
CC(C)[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)N(C)C	REAL300024358350	0	38	-1.0	-44.85	315.07	-0.53	-45.38
NS(=O)(=O)C1=CC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C=C1	REAL300024358351	0	37	-1.0	-51.02	348.31	-2.05	-53.07
COC1=CC=C2NC(NC(=O)CSC3=NNC(=O)[N-]3)=NC2=C1	REAL300024358352	0	33	-1.0	-44.72	303.04	1.45	-43.27
COC1=CC=C2N=C(NC(=O)CSC3=NNC(=O)[N-]3)NC2=C1	REAL300024358352	1	33	-1.0	-44.76	303.06	1.45	-43.31
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=C(N2CCOCC2)N=C1	REAL300024358353	0	37	-1.0	-46.78	326.37	-0.91	-47.69
COC(=O)C1=C(NC(=O)CSC2=NNC(=O)[N-]2)C(C)=NN1C	REAL300024358354	0	35	-1.0	-46.96	322.83	-0.14	-47.10
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CCC3(CC2)OCCO3)C1	REAL300024358355	0	46	-1.0	-44.91	365.09	1.07	-43.84
COC(=O)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)CO1	REAL300024358356	0	43	-1.0	-46.92	357.14	2.30	-44.62
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)C1OCC1=CC=CC=C1	REAL300024358357	0	46	-1.0	-43.69	393.21	3.72	-39.97
CC1=CC=CC=C1OC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024358358	0	40	-1.0	-45.65	356.76	4.28	-41.37
CC12CC3CC(C)(C1)CC(CNC(=O)CSC1=NNC(=O)[N-]1)(C3)C2	REAL300024358359	0	49	-1.0	-42.05	373.52	4.04	-38.01
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2CC2)C2=C(F)C=CC=C21	REAL300024358360	0	39	-1.0	-42.75	328.10	3.02	-39.73
CC(C)(C)OC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C2COCC12	REAL300024358361	0	48	-1.0	-48.19	395.94	-0.55	-48.74
CC(C)OC1=CC=CC=C1[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358362	0	42	-1.0	-45.94	358.50	2.68	-43.26
O=C(CSC1=NNC(=O)[N-]1)N=S1(=O)CCCC2(C1)OCCO2	REAL300024358363	0	37	-1.0	-57.98	327.43	-1.96	-59.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]1C1=CC=CC2=C1OCCO2	REAL300024358364	0	39	-1.0	-47.86	344.85	1.45	-46.41
O=C(CSC1=NNC(=O)[N-]1)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300024358365	0	43	-1.0	-51.36	357.56	-2.63	-53.99
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2CC2(F)F)C=C1	REAL300024358366	0	33	-1.0	-45.91	309.63	2.97	-42.94
CNS(=O)(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358367	0	35	-1.0	-51.52	329.87	-6.64	-58.16
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(N2CCC2)=C1	REAL300024358368	0	35	-1.0	-47.69	305.73	-0.18	-47.87
CC1C2=CC=CN=C2CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358369	0	35	-1.0	-45.40	304.25	2.09	-43.31
C[NH+](C)CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024358370	0	42	0.0	-67.32	342.82	1.48	-65.84
CS(C)(=O)=NC(=O)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358371	0	38	-1.0	-63.51	356.20	-0.97	-64.48
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC=CC=C2CC1	REAL300024358372	0	36	-1.0	-43.90	303.81	3.99	-39.91
COC1=CC(O)=CC=C1OCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358373	0	38	-1.0	-49.19	344.11	-2.50	-51.69
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H]21	REAL300024358374	0	44	-1.0	-52.97	375.11	1.25	-51.72
CC1CCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024358375	0	42	-1.0	-43.23	321.34	3.70	-39.53
CC1=C2C(CCNC(=O)CSC3=NNC(=O)[N-]3)=CN(C)C2=CC=C1	REAL300024358376	0	42	-1.0	-48.27	362.39	3.74	-44.53
CCOCC(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OCC	REAL300024358377	0	38	-1.0	-43.81	344.78	-0.18	-43.99
NS(=O)(=O)C1=CC2=C(NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C2C=C1	REAL300024358378	0	37	-1.0	-50.17	344.41	-1.91	-52.08
CN1C=CC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C21	REAL300024358379	0	33	-1.0	-49.62	302.08	2.49	-47.13
CC(C)(C)OC(=O)N1CC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024358380	0	50	-1.0	-47.70	401.72	2.22	-45.48
CC1CCC2CCCCC2N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358381	0	42	-1.0	-43.19	317.67	3.53	-39.66
CC(C)(C)OC(=O)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024358382	0	49	-1.0	-44.20	398.58	1.35	-42.85
COC(=O)C1=CC=C2C(=C1)N(C(=O)CSC1=NNC(=O)[N-]1)CCN2C	REAL300024358383	0	41	-1.0	-51.80	351.87	2.18	-49.62
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1C1=CC=C(C(F)(F)F)C=C1	REAL300024358384	0	40	-1.0	-43.96	352.61	2.94	-41.02
O=C(CNC(=O)CSC1=NNC(=O)[N-]1)NC1CCCC2=CC=CC=C21	REAL300024358385	0	43	-1.0	-47.22	366.27	1.05	-46.17
CC1=NN(C2=CC=CC(CNC(=O)CSC3=NNC(=O)[N-]3)=C2)C(C)=C1	REAL300024358386	0	42	-1.0	-49.93	373.12	3.04	-46.89
COCCCC(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)N(C)C	REAL300024358387	0	42	-1.0	-50.92	363.43	-1.16	-52.08
O=C(CSC1=NNC(=O)[N-]1)N1CC(CF)OCC12CNC(=O)OC2	REAL300024358388	0	39	-1.0	-55.92	328.55	-1.75	-57.67
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=C(Br)C(Cl)=C1	REAL300024358389	0	26	-1.0	-42.41	298.79	2.26	-40.15
C[NH+](C)C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024358390	0	41	0.0	-61.45	346.22	3.01	-58.44
COC1=CC=CC(C(=O)C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024358391	0	45	-1.0	-46.24	380.76	3.68	-42.56
C[C@@H]1CN(CCNC(=O)CSC2=NNC(=O)[N-]2)C[C@H](C)O1	REAL300024358392	0	41	-1.0	-44.34	344.77	-2.19	-46.53
CCOC(=O)C(F)(F)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358393	0	31	-1.0	-43.53	303.46	-0.25	-43.78
COC(=O)C(CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358394	0	40	-1.0	-42.55	326.58	1.88	-40.67
O=C(CSC1=NNC(=O)[N-]1)NCCNS(=O)(=O)C1CC1	REAL300024358395	0	34	-1.0	-51.34	323.49	-4.26	-55.60
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300024358396	0	33	-1.0	-45.11	330.23	3.02	-42.09
CC1=NN(C2=CC=CN=C2)N=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358397	0	34	-1.0	-50.42	321.34	0.44	-49.98
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C1=CC=C(O)C=C1	REAL300024358398	0	43	-1.0	-45.72	347.48	1.75	-43.97
COC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(CC(C)C)=C1	REAL300024358399	0	44	-1.0	-44.55	373.93	4.77	-39.78
CC1=C(C)SC(NNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024358400	0	30	-1.0	-44.08	291.69	-0.22	-44.30
CC1=CC(NNC(=O)CSC2=NNC(=O)[N-]2)=NC=C1C(F)(F)F	REAL300024358401	0	33	-1.0	-42.81	316.98	1.13	-41.68
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(CC2CC2)C=C1	REAL300024358402	0	39	-1.0	-42.78	348.44	3.85	-38.93
CC(C)(C)OC(=O)N1CCCC1C(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358403	0	55	-1.0	-45.79	423.94	3.41	-42.38
O=C(CSC1=NNC(=O)[N-]1)N1CCCCNC(=O)C(F)(F)C1	REAL300024358404	0	36	-1.0	-49.53	300.25	-0.29	-49.82
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H](O)C1=CC=C(F)C(Br)=C1	REAL300024358405	0	33	-1.0	-46.47	330.40	-0.88	-47.35
CC(C)(C)OC(=O)N1CCCC1C(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358406	0	52	-1.0	-47.23	402.28	2.70	-44.53
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=NN1CC1=CC=CC=C1	REAL300024358407	0	39	-1.0	-47.30	350.67	3.80	-43.50
COC1=CC(F)=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024358408	0	30	-1.0	-43.70	298.48	0.69	-43.01
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CC2)CCCCCC1	REAL300024358409	0	42	-1.0	-43.41	321.66	3.44	-39.97
CC12CC(NC(=O)CSC3=NNC(=O)[N-]3)(C1)C1(COC1)O2	REAL300024358410	0	36	-1.0	-43.02	311.86	-2.54	-45.56
COC1=CC(F)=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358411	0	33	-1.0	-44.32	308.78	0.25	-44.07
O=C(CSC1=NNC(=O)[N-]1)N[C@@H](C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300024358412	0	35	-1.0	-47.20	327.87	2.64	-44.56
O=C(CSC1=NNC(=O)[N-]1)N[C@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F	REAL300024358413	0	35	-1.0	-45.89	338.45	2.88	-43.01
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=C(F)C=C2)CCCCC1	REAL300024358414	0	42	-1.0	-44.93	346.79	4.53	-40.40
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C(OC2CC2)C=N1	REAL300024358415	0	36	-1.0	-43.91	324.43	0.62	-43.29
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=CC(F)=C2)CCCCC1	REAL300024358416	0	42	-1.0	-44.19	346.80	4.53	-39.66
CC1=CC(Br)=CC(C)=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358417	0	35	-1.0	-42.17	329.86	2.49	-39.68
CC1=CC=CC=C1C1(NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024358418	0	45	-1.0	-44.48	351.69	5.29	-39.19
COC1=CC=C([C@H](NC(=O)CSC2=NNC(=O)[N-]2)C(F)F)C=C1	REAL300024358419	0	36	-1.0	-46.26	329.75	1.26	-45.00
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC2=NC=C(Br)C=C12	REAL300024358420	0	31	-1.0	-43.17	306.84	1.85	-41.32
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC2(CC2(F)F)C1	REAL300024358421	0	36	-1.0	-45.75	324.22	2.05	-43.70
COC1=CC=C2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2=C1	REAL300024358422	0	43	-1.0	-49.76	358.65	2.43	-47.33
CCOC(=O)N1CCC2=C(C1)SC(NC(=O)CSC1=NNC(=O)[N-]1)=N2	REAL300024358423	0	40	-1.0	-45.10	366.24	1.10	-44.00
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
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC2=CC=CNC2=C1	REAL300024358424	0	32	-1.0	-56.70	298.79	-0.78	-57.48
CN(C)C(=O)NCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358425	0	37	-1.0	-52.07	328.50	-2.17	-54.24
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2C(CC1)C2(F)F	REAL300024358426	0	36	-1.0	-45.35	305.29	2.43	-42.92
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(C2=NC=CN2)C=C1	REAL300024358427	0	36	-1.0	-48.48	332.66	1.38	-47.10
O=C(CSC1=NNC(=O)[N-]1)N1CCC(=O)C(CC2=CC=CC=C2)C1	REAL300024358428	0	41	-1.0	-44.32	347.35	4.50	-39.82
CC(C)(C)OC(=O)C1N(C(=O)CSC2=NNC(=O)[N-]2)CC12CCC2	REAL300024358429	0	45	-1.0	-47.92	380.43	4.36	-43.56
O=C(CSC1=NNC(=O)[N-]1)N1COC[C@]2(COC[C@H]3CCCCN32)C1	REAL300024358430	0	47	-1.0	-45.88	359.90	-1.63	-47.51
O=C(CSC1=NNC(=O)[N-]1)NCC(C1=CC=CC=C1)C(F)F	REAL300024358431	0	35	-1.0	-46.19	319.94	2.34	-43.85
CCOC(=O)C1=NNC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358432	0	35	-1.0	-47.28	332.08	-1.20	-48.48
C[NH+](C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C2(C1)CCOCC2	REAL300024358433	0	46	0.0	-74.99	348.66	2.38	-72.61
O=C(CSC1=NNC(=O)[N-]1)NNC1=NC=CC=C1Cl	REAL300024358434	0	27	-1.0	-44.59	276.49	0.20	-44.39
O=C(CSC1=NNC(=O)[N-]1)NC(CC1CC1)C1=CC=C(Cl)C=C1	REAL300024358435	0	39	-1.0	-44.03	362.39	4.90	-39.13
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=CS2)CC1	REAL300024358436	0	40	-1.0	-49.24	356.58	1.06	-48.18
COC1(OC)CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358437	0	40	-1.0	-44.43	337.18	-0.58	-45.01
CC(CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(N(C)C)N=C1	REAL300024358438	0	42	-1.0	-47.57	359.81	2.00	-45.57
COC1=C(Cl)C=C2N=C(NC(=O)CSC3=NNC(=O)[N-]3)SC2=C1	REAL300024358439	0	32	-1.0	-48.79	327.27	1.56	-47.23
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
COC1CC2(CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024358440	0	40	-1.0	-44.15	344.56	0.73	-43.42
CC(C)(C)OC(=O)NCCC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358441	0	52	-1.0	-48.56	425.28	1.08	-47.48
CN(C)C1=CC=C(C(C)(C)CNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024358442	0	45	-1.0	-47.65	372.55	2.49	-45.16
CN1C=NC(C(CNC(=O)CSC2=NNC(=O)[N-]2)N2CCCC2)=C1	REAL300024358443	0	44	-1.0	-47.00	366.27	1.43	-45.57
CC1=CC(CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C#N	REAL300024358444	0	36	-1.0	-47.65	335.46	2.51	-45.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC2=CC=CC=C2C1	REAL300024358445	0	42	-1.0	-43.71	348.79	3.95	-39.76
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358446	0	43	-1.0	-46.92	369.81	-0.72	-47.64
CC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024358447	0	34	-1.0	-46.90	315.25	1.73	-45.17
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1COC1	REAL300024358448	0	33	-1.0	-43.78	299.94	-1.96	-45.74
CC(C)(C)OC(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(N)=O)C1	REAL300024358449	0	47	-1.0	-54.38	405.25	-3.21	-57.59
CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358450	0	46	-1.0	-49.08	385.73	2.33	-46.75
CS(=O)CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024358451	0	39	-1.0	-51.60	331.55	-0.33	-51.93
CC(C)(C)OCCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358452	0	41	-1.0	-44.69	346.86	0.55	-44.14
CC(C)(C)OC(=O)N1[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)COC1(C)C	REAL300024358453	0	50	-1.0	-46.26	408.84	-0.24	-46.50
CC(C)(C)OC(=O)N1CC(OCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358454	0	47	-1.0	-49.93	403.81	-0.52	-50.45
COC(=O)C(C1COC1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358455	0	36	-1.0	-44.96	310.10	-0.21	-45.17
CN(CCS(C)(=O)=NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024358456	0	47	-1.0	-57.85	408.61	0.18	-57.67
CCOC(=O)C(F)(F)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358457	0	34	-1.0	-45.76	323.78	0.45	-45.31
O=C(CSC1=NNC(=O)[N-]1)N1CC(=C2CC(=O)NC2=O)C1	REAL300024358458	0	31	-1.0	-51.41	301.36	-2.07	-53.48
CCOC(=O)C(F)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358459	0	34	-1.0	-47.04	319.33	0.42	-46.62
COC(=O)C1=CC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)OC1	REAL300024358460	0	41	-1.0	-46.11	354.69	1.74	-44.37
CCOC(=O)C(C)(C)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358461	0	48	-1.0	-47.11	376.96	1.13	-45.98
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CC(=O)NC2=O)C1	REAL300024358462	0	33	-1.0	-52.46	306.77	-2.13	-54.59
CC(C)(C)OC(=O)N1CCN2C(NC(=O)CSC3=NNC(=O)[N-]3)=CN=C2C1	REAL300024358463	0	47	-1.0	-49.55	393.79	2.56	-46.99
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCCC1(F)F	REAL300024358464	0	38	-1.0	-45.58	314.33	1.61	-43.97
CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358465	0	46	-1.0	-46.87	392.14	-0.10	-46.97
CCOC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=NS1	REAL300024358466	0	34	-1.0	-45.44	334.41	0.57	-44.87
CCOC(=O)C(F)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358467	0	37	-1.0	-46.20	332.07	0.97	-45.23
C#C[51C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024358468	0	33	-1.0	-43.79	294.34	1.17	-42.62
O=C(CSC1=NNC(=O)[N-]1)N1CC(OC2=CC=C(F)C=C2)C1	REAL300024358469	0	34	-1.0	-44.68	317.31	1.99	-42.69
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(F)=CC(C(F)F)=C1	REAL300024358470	0	29	-1.0	-46.77	288.71	1.72	-45.05
CC(C)(C)OC(=O)N1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024358471	0	52	-1.0	-47.92	415.92	2.05	-45.87
CC(C)(C)OC(=O)N1CCC(=CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358472	0	50	-1.0	-46.91	409.20	2.43	-44.48
COCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1	REAL300024358473	0	45	-1.0	-45.45	362.26	3.13	-42.32
COCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCCCC1	REAL300024358474	0	48	-1.0	-44.81	375.04	3.49	-41.32
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2=NC(C(F)(F)F)=NO2)C1	REAL300024358475	0	31	-1.0	-46.22	313.55	-0.98	-47.20
O=C(CSC1=NNC(=O)[N-]1)N1CC(OC2=CC=CC(Br)=C2)C1	REAL300024358476	0	34	-1.0	-44.67	332.17	2.64	-42.03
O=C(CSC1=NNC(=O)[N-]1)N1CC(OC2=CC=C(Br)C=C2)C1	REAL300024358477	0	34	-1.0	-44.02	332.19	2.56	-41.46
CC(C)(C)OC(=O)N1CCCCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358478	0	52	-1.0	-48.77	414.40	2.95	-45.82
C=CCN(CC1=CC=C(C#N)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358479	0	37	-1.0	-47.21	345.91	4.90	-42.31
O=C(CSC1=NNC(=O)[N-]1)N1CCC12CC(C(F)F)C2	REAL300024358480	0	33	-1.0	-49.35	300.80	2.16	-47.19
O=C(CSC1=NNC(=O)[N-]1)N1CC(CC(F)F)(C2CC2)C1	REAL300024358481	0	36	-1.0	-46.34	313.44	2.65	-43.69
CC1(C)CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NO1	REAL300024358482	0	37	-1.0	-48.90	328.60	1.24	-47.66
CCC1=CSC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024358483	0	41	-1.0	-44.70	359.60	3.04	-41.66
CC(C)(C)OC(=O)C(CCC#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358484	0	41	-1.0	-45.21	357.51	1.91	-43.30
CSC1=NSC(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024358485	0	37	-1.0	-45.57	348.09	0.74	-44.83
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C=NNC2=O)C1	REAL300024358486	0	32	-1.0	-49.39	288.77	-1.26	-50.65
COC(=O)C1=NOC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358487	0	36	-1.0	-46.77	333.08	-1.10	-47.87
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=C(C2CC2)C=C1	REAL300024358488	0	39	-1.0	-44.79	344.67	3.73	-41.06
CCOCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358489	0	36	-1.0	-50.91	329.71	-2.68	-53.59
N#CC1=CC=CC(NC(=O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358490	0	34	-1.0	-51.67	327.69	-0.37	-52.04
NC(=O)C1=CC=CC(NC(=O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358491	0	37	-1.0	-57.76	341.37	-3.98	-61.74
CC(C)CN1N=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358492	0	38	-1.0	-43.24	335.26	0.86	-42.38
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(C2=CC=CC(F)=C2)C1	REAL300024358493	0	34	-1.0	-48.07	312.73	-0.15	-48.22
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(C2=CC=CC=C2F)C1	REAL300024358494	0	34	-1.0	-47.44	309.64	-0.31	-47.75
COC1=CC=CC(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024358495	0	37	-1.0	-46.04	328.27	2.30	-43.74
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(C2=CC(F)=CC(F)=C2)C1	REAL300024358496	0	34	-1.0	-47.15	319.12	-0.07	-47.22
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2=NC(C3=NC=CC=N3)=NO2)C1	REAL300024358497	0	36	-1.0	-54.02	344.06	-1.02	-55.04
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CCSCC2)C1	REAL300024358498	0	37	-1.0	-45.58	325.08	2.92	-42.66
O=C(CSC1=NNC(=O)[N-]1)N(CC1CCOCC1)C1COC1	REAL300024358499	0	41	-1.0	-47.23	329.18	-0.11	-47.34
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC2=NC=CN21	REAL300024358500	0	36	-1.0	-48.26	310.27	1.50	-46.76
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC2=[NH+]C=CN21	REAL300024358500	1	37	0.0	-60.88	313.67	1.96	-58.92
C#CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024358501	0	31	-1.0	-44.48	303.60	2.22	-42.26
CCC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024358502	0	35	-1.0	-44.30	322.52	2.31	-41.99
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C2CCCCC2=C1F	REAL300024358503	0	39	-1.0	-44.80	341.18	3.32	-41.48
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL300024358504	0	43	-1.0	-44.17	361.74	4.38	-39.79
O=C(CSC1=NNC(=O)[N-]1)NCCN1N=NC2=CC=CC=C21	REAL300024358505	0	34	-1.0	-51.52	318.41	-0.48	-52.00
CC1(C)NC(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024358506	0	37	-1.0	-50.53	337.37	-2.83	-53.36
CC(F)(F)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358507	0	35	-1.0	-42.44	300.93	2.36	-40.08
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCCF)CC1	REAL300024358508	0	38	-1.0	-44.53	318.84	3.20	-41.33
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)NC(=O)C1=CC=CC=C1N2	REAL300024358509	0	37	-1.0	-47.58	336.02	-1.58	-49.16
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2C3CC4CC(C3)CC2C4)C1	REAL300024358510	0	47	-1.0	-43.77	359.62	4.74	-39.03
O=C(CSC1=NNC(=O)[N-]1)NCC1=COC2=CC=C(F)C=C12	REAL300024358511	0	32	-1.0	-46.01	308.28	1.28	-44.73
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(C(F)(F)F)=CS1	REAL300024358512	0	29	-1.0	-43.03	304.06	0.97	-42.06
C[C@@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)CCS1	REAL300024358513	0	36	-1.0	-43.69	310.46	1.49	-42.20
COC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024358514	0	35	-1.0	-44.47	318.34	-1.70	-46.17
CC1=CC=C(NNC(=O)CSC2=NNC(=O)[N-]2)C=C1C(F)(F)F	REAL300024358515	0	34	-1.0	-43.53	319.15	1.88	-41.65
CCOC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCOCC2	REAL300024358516	0	46	-1.0	-45.72	364.00	2.76	-42.96
CC1=CC(Br)=NC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358517	0	31	-1.0	-43.97	307.84	0.33	-43.64
CCCSC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358518	0	36	-1.0	-47.26	331.30	3.38	-43.88
O=C(CSC1=NNC(=O)[N-]1)NCC1(CC2CC2)CCCC1	REAL300024358519	0	42	-1.0	-42.69	344.22	3.35	-39.34
CCC(C)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024358520	0	41	-1.0	-42.65	352.62	3.44	-39.21
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CCS1(=O)=O	REAL300024358521	0	38	-1.0	-52.63	335.47	-1.99	-54.62
C[C@@H]1C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)CCS1(=O)=O	REAL300024358522	0	38	-1.0	-52.35	328.25	-2.17	-54.52
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCC(F)(F)F)CC1	REAL300024358523	0	38	-1.0	-45.76	330.38	3.45	-42.31
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=CC(Cl)=CC=C1F	REAL300024358524	0	36	-1.0	-45.25	335.83	4.92	-40.33
CC1=CC2=C(C=C1NC(=O)CSC1=NNC(=O)[N-]1)C(C)=CC(=O)N2	REAL300024358525	0	38	-1.0	-47.85	335.25	1.20	-46.65
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(P2(=O)CCCC2)=C1	REAL300024358526	0	39	-1.0	-52.39	350.85	1.74	-50.65
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@@H](C)CC1=CC=C(F)C=C1F	REAL300024358527	0	41	-1.0	-47.49	345.96	5.55	-41.94
COC1=CC=CC(CCNC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300024358528	0	36	-1.0	-49.28	330.22	0.97	-48.31
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCC[C@H](CF)C1	REAL300024358529	0	38	-1.0	-43.77	322.96	1.99	-41.78
CC1(C(F)(F)F)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358530	0	35	-1.0	-43.14	303.10	2.63	-40.51
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2CCCCC2)C1	REAL300024358531	0	43	-1.0	-42.41	343.82	2.60	-39.81
CC1=CC(C)=CC(C(=O)N(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)=C1	REAL300024358532	0	48	-1.0	-44.38	394.73	4.59	-39.79
COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358533	0	39	-1.0	-51.88	350.01	-0.43	-52.31
CC(C)(C)OC(=O)N1CC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC1CC2	REAL300024358534	0	53	-1.0	-46.60	418.46	2.94	-43.66
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CN1C=CN=N1	REAL300024358535	0	38	-1.0	-44.71	321.52	1.50	-43.21
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC2=C1C=NN2C1CCCC1	REAL300024358536	0	46	-1.0	-51.13	378.76	3.12	-48.01
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2(C1)CC(F)(F)C2	REAL300024358537	0	36	-1.0	-45.17	324.36	1.95	-43.22
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)N1CCOCC1	REAL300024358538	0	39	-1.0	-49.06	339.31	-3.31	-52.37
CC(C)(C)OC(=O)NC12CCC(CNC(=O)CSC3=NNC(=O)[N-]3)(C1)OC2	REAL300024358539	0	51	-1.0	-47.14	418.27	-1.33	-48.47
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C1=CC=CC=C1Br	REAL300024358540	0	41	-1.0	-44.21	355.10	5.49	-38.72
O=C(CSC1=NNC(=O)[N-]1)NC1=CC2=CC(O)=CC=C2C=C1	REAL300024358541	0	33	-1.0	-48.92	305.37	0.15	-48.77
CC(C)(C)O[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358542	0	45	-1.0	-44.53	359.33	1.71	-42.82
CC(C)(C)O[C@H]1CCCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358543	0	45	-1.0	-44.51	359.31	1.72	-42.79
COC1=CC(CCNC(=O)CSC2=NNC(=O)[N-]2)=CC(OC)=C1O	REAL300024358544	0	41	-1.0	-50.28	364.93	-1.37	-51.65
CC(C)(C)CCC1=NC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2=N1	REAL300024358545	0	49	-1.0	-45.19	400.16	4.20	-40.99
NC(=O)C1CCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024358546	0	43	-1.0	-52.19	356.24	-1.17	-53.36
COC1=CC=C2C(CC(C)(C)NC(=O)CSC3=NNC(=O)[N-]3)=CNC2=C1	REAL300024358547	0	46	-1.0	-47.97	379.21	1.71	-46.26
CC1=NC(C)=C(CNC(=O)CSC2=NNC(=O)[N-]2)N=C1C	REAL300024358548	0	36	-1.0	-45.68	320.44	-1.23	-46.91
COC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024358549	0	38	-1.0	-46.35	323.03	2.08	-44.27
O=C(CSC1=NNC(=O)[N-]1)NCC1COCC2=CC=CC=C21	REAL300024358550	0	37	-1.0	-44.99	321.68	0.79	-44.20
CC1=C(CNC(=O)CSC2=NNC(=O)[N-]2)OC2=CC=C(Cl)C=C21	REAL300024358551	0	35	-1.0	-43.70	338.95	2.50	-41.20
O=C(CSC1=NNC(=O)[N-]1)NCCCN1C=CC2=CC=CC=C2C1=O	REAL300024358552	0	41	-1.0	-52.86	367.10	2.98	-49.88
CC(C)(C)OC(=O)COCCOCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358553	0	48	-1.0	-52.00	414.39	0.80	-51.20
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C(F)F)=C1	REAL300024358554	0	29	-1.0	-44.60	280.32	1.59	-43.01
COC1=C(F)C=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300024358555	0	30	-1.0	-42.42	293.25	0.33	-42.09
O=C(CSC1=NNC(=O)[N-]1)N1CCC(N2CC(=O)NC2=O)CC1	REAL300024358556	0	38	-1.0	-55.46	328.80	-1.23	-56.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C2=CC=CC=C2)CC1	REAL300024358557	0	44	-1.0	-44.22	358.12	3.27	-40.95
O=C(CSC1=NNC(=O)[N-]1)NC(C(F)F)C12CC3CC(CC(C3)C1)C2	REAL300024358558	0	46	-1.0	-44.37	354.44	3.87	-40.50
CN1CC2CCCC(CC1=O)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024358559	0	40	-1.0	-44.76	311.75	1.82	-42.94
C[NH+](C)CC1CC2(CCN2C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358560	0	42	0.0	-66.77	344.54	3.13	-63.64
O=C(CSC1=NNC(=O)[N-]1)NCC1CCOC2=CC=C(Br)C=C21	REAL300024358561	0	37	-1.0	-45.71	343.08	1.95	-43.76
CCC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCCCC1	REAL300024358562	0	44	-1.0	-42.30	328.06	3.18	-39.12
O=C(CSC1=NNC(=O)[N-]1)NCC1(C(F)(F)F)CCCCC1	REAL300024358563	0	38	-1.0	-42.45	318.98	2.10	-40.35
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC(F)(F)C(=O)N1	REAL300024358564	0	36	-1.0	-53.86	314.81	-1.98	-55.84
O=C(CSC1=NNC(=O)[N-]1)NCC1=NOC(C2CCCC2)=C1	REAL300024358565	0	38	-1.0	-44.54	336.38	1.65	-42.89
CC(C)(C)OC(=O)N1CCOCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358566	0	50	-1.0	-49.02	406.07	0.61	-48.41
CC(C)(C)OC(=O)NCC(CNC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024358567	0	45	-1.0	-47.66	391.09	0.04	-47.62
CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358568	0	47	-1.0	-47.62	394.88	-3.02	-50.64
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(Cl)=CS1	REAL300024358569	0	26	-1.0	-42.29	281.05	0.46	-41.83
O=C(CSC1=NNC(=O)[N-]1)NC(CC1CC1)C1=CC=CC=N1	REAL300024358570	0	38	-1.0	-43.79	341.42	2.27	-41.52
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C(F)(F)F)CC1	REAL300024358571	0	35	-1.0	-45.80	303.67	2.92	-42.88
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC2=CC(Br)=CC=C2C1	REAL300024358572	0	39	-1.0	-44.15	349.43	5.11	-39.04
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=CS2)CCOCC1	REAL300024358573	0	40	-1.0	-43.03	346.04	1.20	-41.83
O=C(CSC1=NNC(=O)[N-]1)NCC1=NOC(C2=CC=CC=C2F)=C1	REAL300024358574	0	35	-1.0	-47.62	336.96	2.04	-45.58
CC1(C)C(O)C(C)(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358575	0	39	-1.0	-43.54	318.23	-1.30	-44.84
CC1=NN(C)C=C1C(=O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358576	0	34	-1.0	-48.90	316.66	-0.75	-49.65
CN1C=NC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C2C1=O	REAL300024358577	0	34	-1.0	-52.30	314.32	1.42	-50.88
CC1=CC2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2C=N1	REAL300024358578	0	34	-1.0	-45.30	307.03	1.96	-43.34
O=C(CSC1=NNC(=O)[N-]1)NC1=CNN=C1C1=CN=CC=N1	REAL300024358579	0	31	-1.0	-45.24	295.40	-2.43	-47.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COC[C@@H]1N1C=CN=C1	REAL300024358580	0	34	-1.0	-47.88	303.88	0.16	-47.72
CN1C2=C(CN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C2=CC=C(Cl)C(F)=C21	REAL300024358581	0	40	-1.0	-46.31	363.59	5.31	-41.00
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)OC(C)(C)C	REAL300024358582	0	49	-1.0	-47.63	403.90	1.66	-45.97
CC(C)(C)OC(=O)N1CC(F)(F)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358583	0	46	-1.0	-49.22	395.06	1.26	-47.96
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H](OCC2=CC=CC=C2)[C@@H]2CCC[C@@H]21	REAL300024358584	0	47	-1.0	-43.44	390.01	4.85	-38.59
O=C(CSC1=NNC(=O)[N-]1)NCCOC1=CC=CC=C1OCC(F)(F)F	REAL300024358585	0	40	-1.0	-50.54	374.52	1.74	-48.80
CC(F)(F)C1(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358586	0	35	-1.0	-46.91	312.65	1.28	-45.63
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=CC=C2F)CCCC1	REAL300024358587	0	42	-1.0	-42.26	348.55	4.38	-37.88
O=C(CSC1=NNC(=O)[N-]1)NCC1=NOC(C2=CC=C(F)C=C2)=C1	REAL300024358588	0	35	-1.0	-45.35	335.31	1.99	-43.36
CC(C)(C)OC(=O)NCC=CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358589	0	43	-1.0	-46.95	374.62	-0.96	-47.91
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC=C1NC1=CC=CC=C1	REAL300024358590	0	38	-1.0	-44.49	350.65	3.83	-40.66
CCOC(=O)C1=CSC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024358591	0	37	-1.0	-47.68	355.88	0.23	-47.45
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(OC(F)(F)C(F)(F)F)C=N1	REAL300024358592	0	35	-1.0	-45.65	346.05	2.01	-43.64
COC1=CC=C2C(=C1Br)CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024358593	0	37	-1.0	-43.78	331.74	3.33	-40.45
CCCC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)OC(C)(C)C	REAL300024358594	0	54	-1.0	-46.67	438.64	1.55	-45.12
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=C(Cl)C=CC=C1Cl	REAL300024358595	0	36	-1.0	-45.03	333.60	5.14	-39.89
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300024358596	0	43	-1.0	-44.41	357.94	1.97	-42.44
O=C(CSC1=NNC(=O)[N-]1)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300024358597	0	35	-1.0	-44.93	345.64	2.43	-42.50
CC(C)(C)OC(=O)NC1(CCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024358598	0	49	-1.0	-47.18	404.45	0.63	-46.55
COC1=CC(OC(C)C)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358599	0	40	-1.0	-44.33	346.73	1.03	-43.30
NC(=O)CNC(=O)C1=NNC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358600	0	34	-1.0	-48.44	321.12	-7.37	-55.81
NC(=O)CNC(=O)C1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=NN1	REAL300024358600	1	34	-1.0	-48.61	320.00	-7.36	-55.97
CCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C1=CC=C(Cl)C=N1	REAL300024358601	0	37	-1.0	-43.85	331.77	3.57	-40.28
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=C(F)C(Br)=C2)CC1	REAL300024358602	0	33	-1.0	-43.82	329.08	2.76	-41.06
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=CC=C(Br)C=C2CC1	REAL300024358603	0	36	-1.0	-42.76	326.22	4.41	-38.35
COC(=O)C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(Cl)=C1	REAL300024358604	0	38	-1.0	-49.99	364.31	3.49	-46.50
COC(=O)C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(Cl)=C1	REAL300024358605	0	38	-1.0	-49.18	364.32	3.50	-45.68
CCOC(=O)C1(CCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024358606	0	41	-1.0	-49.02	355.17	1.95	-47.07
CCCC(=O)NC1=CC=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358607	0	39	-1.0	-46.35	343.25	1.52	-44.83
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC(C(F)(F)F)=CO1	REAL300024358608	0	32	-1.0	-46.64	317.02	0.80	-45.84
O=C(CSC1=NNC(=O)[N-]1)NCC1=C(C2=CC=CC=C2)C2=CC(F)=CC=C2O1	REAL300024358609	0	42	-1.0	-44.41	388.03	5.04	-39.37
O=C(CSC1=NNC(=O)[N-]1)NC[C@H](O)C1=CC=C(F)C(Br)=C1	REAL300024358610	0	33	-1.0	-46.33	329.92	-0.80	-47.13
O=C(CSC1=NNC(=O)[N-]1)NCC(O)C1=CSC2=CC=CC=C12	REAL300024358611	0	36	-1.0	-45.98	339.62	-0.11	-46.09
CC(C)(C)OC(=O)NCC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CO1	REAL300024358612	0	50	-1.0	-48.03	417.68	-1.45	-49.48
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C2NC=CC2=C1	REAL300024358613	0	33	-1.0	-48.83	301.53	2.53	-46.30
CCOC(=O)C1=CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358614	0	36	-1.0	-45.26	320.38	2.46	-42.80
CC1=CC=C(F)C2=C1CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358615	0	36	-1.0	-44.68	312.83	3.74	-40.94
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CC(OCC1=CC=CC=C1)C2	REAL300024358616	0	47	-1.0	-45.75	402.60	4.20	-41.55
COC(=O)C(CCCCNC(=O)CSC1=NNC(=O)[N-]1)CC(F)(F)F	REAL300024358617	0	43	-1.0	-47.61	384.46	2.43	-45.18
COC(=O)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024358618	0	38	-1.0	-45.59	344.79	2.05	-43.54
COC(=O)CC1CCC(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358619	0	44	-1.0	-46.45	353.39	4.38	-42.07
O=C(CSC1=NNC(=O)[N-]1)NCC12CC3CC(CC(C3)O1)C2	REAL300024358620	0	41	-1.0	-43.29	327.44	0.99	-42.30
NC(=O)C12CC(CNC(=O)CSC3=NNC(=O)[N-]3)(C1)OC2	REAL300024358621	0	35	-1.0	-48.66	317.43	-4.85	-53.51
CSCC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024358622	0	38	-1.0	-44.89	324.70	1.81	-43.08
CC(C)(C)C1CCC(CO)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358623	0	45	-1.0	-43.45	344.14	1.69	-41.76
CCOC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCO1	REAL300024358624	0	42	-1.0	-47.79	359.37	0.95	-46.84
COC(=O)C12CCC(CC1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358625	0	39	-1.0	-51.02	330.74	2.40	-48.62
O=C(CSC1=NNC(=O)[N-]1)NCC1(CF)CC12CCOCC2	REAL300024358626	0	40	-1.0	-43.32	335.23	0.72	-42.60
O=C(CSC1=NNC(=O)[N-]1)N(CCCO)C1CCCCC1	REAL300024358627	0	42	-1.0	-46.34	340.39	0.76	-45.58
O=C(CSC1=NNC(=O)[N-]1)N(CCCO)C1CCCCCC1	REAL300024358628	0	45	-1.0	-46.17	354.26	1.27	-44.90
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358629	0	46	-1.0	-50.45	382.06	1.09	-49.36
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC(Cl)=CC=C1Cl	REAL300024358630	0	32	-1.0	-44.58	325.93	2.55	-42.03
CCOC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358631	0	42	-1.0	-46.39	346.77	3.14	-43.25
CCCC1=NC=CN1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358632	0	45	-1.0	-46.69	373.92	4.53	-42.16
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358632	1	46	0.0	-60.44	377.02	4.97	-55.47
CC1=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C(C(F)(F)F)=CO1	REAL300024358633	0	35	-1.0	-46.75	334.58	1.32	-45.43
O=C(CSC1=NNC(=O)[N-]1)NCC12CCCC1C2(F)F	REAL300024358634	0	33	-1.0	-44.37	298.53	1.44	-42.93
NC(=O)CC1COC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358635	0	37	-1.0	-52.17	326.51	-4.48	-56.65
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C(C)C1=CC=CC=C1	REAL300024358636	0	41	-1.0	-44.77	338.17	4.99	-39.78
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300024358637	0	36	-1.0	-57.42	333.06	-2.90	-60.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CCC(F)(F)F)C1	REAL300024358638	0	38	-1.0	-43.91	330.74	3.44	-40.47
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=NOC(C3CCCC3)=N2)C1	REAL300024358639	0	45	-1.0	-46.47	381.05	0.33	-46.14
O=C(CSC1=NNC(=O)[N-]1)NCCCNS(=O)(=O)C1CC1	REAL300024358640	0	37	-1.0	-51.22	344.99	-3.47	-54.69
CC1(C)CC(CCNC(=O)CSC2=NNC(=O)[N-]2)CO1	REAL300024358641	0	39	-1.0	-45.24	332.76	0.15	-45.09
CC(C)CN1C=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024358642	0	38	-1.0	-46.56	339.67	0.94	-45.62
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)C1=CN=CC(Br)=C1	REAL300024358643	0	29	-1.0	-43.65	303.07	-1.58	-45.23
O=C(CSC1=NNC(=O)[N-]1)NNC1=NC=C(Cl)C=C1C(F)(F)F	REAL300024358644	0	30	-1.0	-42.83	313.26	1.23	-41.60
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1=NC(C2=CC=CS2)=NN1	REAL300024358645	0	38	-1.0	-45.37	353.09	1.07	-44.30
COC1=NSC(OC)=C1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358646	0	36	-1.0	-45.56	338.62	-2.76	-48.32
CS(=O)(=O)CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358647	0	32	-1.0	-57.10	306.25	-2.41	-59.51
O=C(CSC1=NNC(=O)[N-]1)N1CC(OC2=CC=CC=N2)C1	REAL300024358648	0	33	-1.0	-46.00	308.05	-0.33	-46.33
COC(=O)C1(OC)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358649	0	33	-1.0	-45.57	304.98	-0.66	-46.23
O=C(CSC1=NNC(=O)[N-]1)N1CC(OC2=CC=CC(Cl)=C2)C1	REAL300024358650	0	34	-1.0	-44.69	327.60	2.53	-42.16
O=C(CSC1=NNC(=O)[N-]1)N1CC(OCC2=CC=CC=C2)C1	REAL300024358651	0	37	-1.0	-45.33	337.03	2.51	-42.82
CCC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C2=CC=CC=C2)N1C	REAL300024358652	0	43	-1.0	-64.04	381.55	3.22	-60.82
COCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=N1	REAL300024358653	0	35	-1.0	-44.56	319.80	-0.57	-45.13
CCC1CCCC(CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358654	0	44	-1.0	-42.39	345.82	2.99	-39.40
CC(C)OC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC(C(F)(F)F)=C1	REAL300024358655	0	39	-1.0	-44.92	356.39	2.58	-42.34
O=C(CSC1=NNC(=O)[N-]1)NC1(CC2=CC=CC(Cl)=C2)CCOC1	REAL300024358656	0	40	-1.0	-47.27	354.59	2.05	-45.22
COC(=O)C1(NC(=O)CSC2=NNC(=O)[N-]2)CC2=CC=CC=C2C1	REAL300024358657	0	39	-1.0	-46.50	343.27	3.44	-43.06
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300024358658	0	43	-1.0	-50.52	373.81	3.77	-46.75
CC(C)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C(F)(F)F	REAL300024358659	0	38	-1.0	-47.00	341.15	3.45	-43.55
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C(Cl)C=C1C1CC1	REAL300024358660	0	36	-1.0	-42.08	328.96	3.96	-38.12
CC(C)(C)OC1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024358661	0	45	-1.0	-43.33	363.94	2.22	-41.11
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(N2C=CC=N2)=N1	REAL300024358662	0	35	-1.0	-47.90	329.64	1.28	-46.62
CC1=C(Br)C=C2N=C(NC(=O)CSC3=NNC(=O)[N-]3)NC2=C1	REAL300024358663	0	32	-1.0	-42.05	312.98	3.35	-38.70
CC1=C(Br)C=C2NC(NC(=O)CSC3=NNC(=O)[N-]3)=NC2=C1	REAL300024358663	1	32	-1.0	-42.05	312.99	3.35	-38.70
CC1=CC=C2C(CC(C)(C)NC(=O)CSC3=NNC(=O)[N-]3)=CNC2=C1	REAL300024358664	0	45	-1.0	-46.95	371.31	3.10	-43.85
CC(C)C1=CC=C2OCCN(C(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024358665	0	40	-1.0	-44.87	336.36	3.58	-41.29
CC1(C)CN(CC2=CC=CC=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358666	0	47	-1.0	-44.05	374.21	3.38	-40.67
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358666	1	48	0.0	-70.45	377.57	5.71	-64.74
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358666	1	48	0.0	-70.35	377.46	5.71	-64.64
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CC=C(CO)C=C1	REAL300024358667	0	36	-1.0	-46.99	328.26	-1.05	-48.04
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=NOC(C(F)(F)F)=N2)C1	REAL300024358668	0	37	-1.0	-43.90	343.67	0.31	-43.59
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358669	0	46	-1.0	-48.04	378.29	1.72	-46.32
CC(C)(C)OC(=O)NC1CC(C)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358670	0	49	-1.0	-46.83	404.13	0.29	-46.54
CC(C)(C)OC(=O)NCCN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358671	0	51	-1.0	-47.41	412.40	-0.94	-48.35
CC1=CC=C(C(C)C)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358672	0	38	-1.0	-44.48	326.88	3.55	-40.93
COC(=O)CN1C=CC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C21	REAL300024358673	0	39	-1.0	-52.99	358.36	3.65	-49.34
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=C(C2CCCC2)N=C1	REAL300024358674	0	37	-1.0	-45.04	324.10	1.30	-43.74
O=C(CSC1=NNC(=O)[N-]1)NCC1(C2=CC=CC=N2)CC2(CCC2)C1	REAL300024358675	0	45	-1.0	-43.59	380.41	3.46	-40.13
CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358676	0	49	-1.0	-44.28	396.06	3.17	-41.11
CN(CC1CCN(C(=O)OC(C)(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358677	0	49	-1.0	-55.63	397.83	3.02	-52.61
CC(C)(C)OC(=O)NCC12CC(CNC(=O)CSC3=NNC(=O)[N-]3)(C1)CO2	REAL300024358678	0	51	-1.0	-47.17	426.01	-1.08	-48.25
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@@H]21	REAL300024358679	0	50	-1.0	-45.64	392.17	3.02	-42.62
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(F)=C1OC(F)(F)F	REAL300024358680	0	30	-1.0	-42.63	303.54	1.05	-41.58
NC(=O)C1=CC(Cl)=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358681	0	30	-1.0	-47.33	299.39	-1.98	-49.31
CC(C)C1=CC=C(O)C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358682	0	36	-1.0	-44.33	317.56	-0.09	-44.42
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(CC2=CC=C(F)C=C2F)C(=O)C=C1	REAL300024358683	0	39	-1.0	-47.86	366.10	3.43	-44.43
CC(C)(C)OC(=O)N1CCC(C2CC2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358684	0	53	-1.0	-48.02	421.82	4.07	-43.95
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)C1NC(=O)OC(C)(C)C	REAL300024358685	0	52	-1.0	-45.16	403.08	2.13	-43.03
CCOC(=O)N1CCCC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C21	REAL300024358686	0	44	-1.0	-48.54	375.22	2.87	-45.67
O=C(CSC1=NNC(=O)[N-]1)NC12CC(CO)(C1)OC21CCC1	REAL300024358687	0	39	-1.0	-44.99	332.30	-3.13	-48.12
O=C(CSC1=NNC(=O)[N-]1)NC12CC(CO)(C1)OC21COC1	REAL300024358688	0	37	-1.0	-45.72	322.95	-5.67	-51.39
CC1OC2(CO)CC1(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358689	0	35	-1.0	-50.37	306.49	-4.53	-54.90
O=C(CSC1=NNC(=O)[N-]1)NCC12CCC(CO)(CC1)OC2	REAL300024358690	0	41	-1.0	-46.31	335.70	-2.45	-48.76
O=C(CSC1=NNC(=O)[N-]1)N=S1(=O)CCC2(C1)OCCO2	REAL300024358691	0	34	-1.0	-56.22	313.80	-2.86	-59.08
N#CC1=CC=C([C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024358692	0	37	-1.0	-47.12	338.57	3.20	-43.92
CCCCS(=O)(=O)N1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358693	0	46	-1.0	-50.92	395.66	-0.60	-51.52
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358694	0	46	-1.0	-46.99	392.12	-0.11	-47.10
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358695	0	46	-1.0	-48.30	394.37	-0.24	-48.54
COC(=O)CC1=CC=C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024358696	0	42	-1.0	-49.24	361.68	4.91	-44.33
CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358697	0	49	-1.0	-44.77	396.62	1.18	-43.59
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358698	0	49	-1.0	-44.76	396.62	1.18	-43.58
CC(C)(C)OC(=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358699	0	43	-1.0	-48.26	369.17	-0.17	-48.43
O=C(CSC1=NNC(=O)[N-]1)NCC12CCC(CO)(CO1)C2	REAL300024358700	0	38	-1.0	-45.55	327.49	-3.62	-49.17
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C2=CC=C(F)C=C2)=CS1	REAL300024358701	0	35	-1.0	-45.80	343.45	1.67	-44.13
CCOC(=O)C(F)(CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024358702	0	40	-1.0	-44.69	348.57	1.59	-43.10
CCOC(OCC)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024358703	0	44	-1.0	-45.23	366.34	0.81	-44.42
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC(Cl)=CC=C1Cl)C1CC1	REAL300024358704	0	36	-1.0	-42.81	343.23	4.55	-38.26
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(C2=CC=C(F)C(F)=C2)CC1	REAL300024358705	0	40	-1.0	-46.39	346.74	1.61	-44.78
O=C(CSC1=NNC(=O)[N-]1)N1CCN([C@@H]2COC[C@H]2O)CC1	REAL300024358706	0	40	-1.0	-46.29	330.33	-4.63	-50.92
CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358707	0	49	-1.0	-46.55	401.58	1.92	-44.63
CC(C)(C)C1(CO)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358708	0	42	-1.0	-45.58	330.04	0.24	-45.34
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@]2(C1)C[C@H](O)CNC2=O	REAL300024358709	0	38	-1.0	-53.55	324.82	-3.91	-57.46
COC(=O)[C@@H]1[C@@H](C)OCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358710	0	36	-1.0	-48.02	312.09	0.87	-47.15
COC1(OC)CC(CNC(=O)CSC2=NNC(=O)[N-]2)(C(=O)OC(C)C)C1	REAL300024358711	0	49	-1.0	-44.20	411.48	1.55	-42.65
COC1(OC)CC2(C1)CC(O)CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358712	0	45	-1.0	-45.62	367.65	-1.55	-47.17
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)OC(C(F)(F)F)C1	REAL300024358713	0	34	-1.0	-44.78	314.74	-2.63	-47.41
CC(C)(C)OC(=O)N1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358714	0	47	-1.0	-51.70	379.14	3.34	-48.36
CC(C)(C)OC(=O)NCC1(F)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358715	0	49	-1.0	-46.46	401.31	1.63	-44.83
CC1(C)CC2=CC=CC(CNC(=O)CSC3=NNC(=O)[N-]3)=C2O1	REAL300024358716	0	40	-1.0	-45.85	351.27	2.06	-43.79
CC(C)(C)OC(=O)NCC12CCC(NC(=O)CSC3=NNC(=O)[N-]3)(CO1)C2	REAL300024358717	0	51	-1.0	-47.48	417.56	-1.20	-48.68
CC(C)(C)OC(=O)N1CCCC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024358718	0	53	-1.0	-49.75	425.02	2.87	-46.88
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2C(=O)OC[C@@]21CO	REAL300024358719	0	34	-1.0	-47.61	298.16	-0.41	-48.02
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=C2NC(=O)COC2=C1	REAL300024358720	0	31	-1.0	-47.51	293.84	-2.93	-50.44
CC1=CC=C(F)C(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300024358721	0	39	-1.0	-46.64	342.38	5.16	-41.48
CC(C)(C)[C@@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024358722	0	39	-1.0	-51.84	328.83	-1.49	-53.33
CC(=O)C1=CC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2=C1	REAL300024358723	0	38	-1.0	-48.09	331.62	3.60	-44.49
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H]1C(F)(F)F	REAL300024358724	0	32	-1.0	-46.33	279.89	1.98	-44.35
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@@H]1C(F)(F)F	REAL300024358725	0	32	-1.0	-46.29	279.96	2.01	-44.28
CC1=CC=CC=C1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358726	0	38	-1.0	-44.11	332.28	2.88	-41.23
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	REAL300024358727	0	47	-1.0	-51.48	388.89	3.13	-48.35
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CC2CCC(C2)C1	REAL300024358728	0	40	-1.0	-43.33	315.55	-0.07	-43.40
O=C(CSC1=NNC(=O)[N-]1)NC1CCS(=O)(=O)C2(CC(CO)C2)C1	REAL300024358729	0	43	-1.0	-51.94	370.66	-4.19	-56.13
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CO1)C1=CC=CC=C1	REAL300024358730	0	36	-1.0	-45.37	332.07	2.79	-42.58
CC1NC(=O)OC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358731	0	35	-1.0	-51.80	304.53	-2.36	-54.16
CC(C)CC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024358732	0	37	-1.0	-44.57	331.22	1.03	-43.54
NC(=O)C1COC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024358733	0	41	-1.0	-49.42	342.52	-2.08	-51.50
CS(=O)(=O)C1=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN2N=C1	REAL300024358734	0	36	-1.0	-50.34	330.61	-2.57	-52.91
CC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=CN=C1Br	REAL300024358735	0	31	-1.0	-44.56	308.50	0.13	-44.43
CC1=C(CNC(=O)CSC2=NNC(=O)[N-]2)N=C(C2=CC=CC=C2)O1	REAL300024358736	0	38	-1.0	-46.89	351.21	0.04	-46.85
O=C(CSC1=NNC(=O)[N-]1)N(CC1CCOCC1)C1CCC1	REAL300024358737	0	43	-1.0	-45.87	338.47	2.76	-43.11
O=C(CSC1=NNC(=O)[N-]1)NCCNS(=O)(=O)C(F)F	REAL300024358738	0	30	-1.0	-52.47	305.78	-5.62	-58.09
COC(=O)C1=CC=CC([C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024358739	0	42	-1.0	-48.37	372.51	3.46	-44.91
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358740	0	42	-1.0	-47.64	352.74	1.46	-46.18
CCOC(=O)CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358741	0	41	-1.0	-51.73	345.91	3.21	-48.52
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300024358742	0	42	-1.0	-44.29	376.74	5.31	-38.98
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC2COCCC2C1	REAL300024358743	0	43	-1.0	-44.04	348.78	1.19	-42.85
COC1=CC=C(NNC(=O)CSC2=NNC(=O)[N-]2)C=C1OC	REAL300024358744	0	36	-1.0	-46.05	323.51	-0.45	-46.50
CC1=CC=C(C(F)(F)F)C=C1NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358745	0	34	-1.0	-43.31	321.31	2.08	-41.23
CC1=CC2=CC=CC=C2C(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024358746	0	34	-1.0	-49.62	308.63	3.38	-46.24
CC1CC2CCCCC2N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358747	0	42	-1.0	-43.14	323.78	4.12	-39.02
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL300024358748	0	42	-1.0	-42.30	340.73	2.74	-39.56
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC2=NC=CN21	REAL300024358749	0	36	-1.0	-48.26	310.27	1.50	-46.76
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC2=[NH+]C=CN21	REAL300024358749	1	37	0.0	-60.88	313.67	1.96	-58.92
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OC2=CC=CC=N2)CC1	REAL300024358750	0	39	-1.0	-45.72	337.73	1.20	-44.52
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300024358751	0	39	-1.0	-45.06	341.92	4.64	-40.42
CCOC(=O)C1CC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024358752	0	42	-1.0	-47.95	354.91	3.85	-44.10
CCOC(=O)C1=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCC2=NN1C	REAL300024358753	0	42	-1.0	-49.05	364.74	2.45	-46.60
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(Br)=CC(Cl)=C1F	REAL300024358754	0	29	-1.0	-42.98	317.09	1.98	-41.00
CC(C)(C)OC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358755	0	41	-1.0	-44.81	347.45	2.92	-41.89
CC1=NN=C(CCCNC(=O)CSC2=NNC(=O)[N-]2)N1C	REAL300024358756	0	37	-1.0	-53.04	332.35	1.24	-51.80
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=C2C=C(Br)C=CN12	REAL300024358757	0	29	-1.0	-47.06	295.42	2.78	-44.28
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(NS(=O)(=O)C2CC2)=C1	REAL300024358758	0	38	-1.0	-48.81	352.15	-0.77	-49.58
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)O1	REAL300024358759	0	39	-1.0	-44.47	335.59	1.61	-42.86
COC(=O)C1(C(F)F)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358760	0	38	-1.0	-46.75	330.43	2.18	-44.57
CC(F)(F)C1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024358761	0	34	-1.0	-45.02	323.05	0.78	-44.24
CCCN(CC1=CC(F)=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358762	0	38	-1.0	-43.36	340.39	4.62	-38.74
CC1=CC(C(F)F)=NC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)=N1	REAL300024358763	0	43	-1.0	-49.36	371.55	3.07	-46.29
CC1(C2=NC(C3=NC=CC=N3)=NO2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358764	0	42	-1.0	-54.24	379.22	0.17	-54.07
CC1(C)C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)[C@H]1OCC1=CC=CC=C1	REAL300024358765	0	46	-1.0	-45.88	388.73	4.19	-41.69
O=C(CSC1=NNC(=O)[N-]1)N1C2=CC=C(F)C=C2NC(=O)C12CCC2	REAL300024358766	0	38	-1.0	-41.42	324.95	1.43	-39.99
O=C(CSC1=NNC(=O)[N-]1)N(C1=CC=CC(Br)=C1)C1CCC1	REAL300024358767	0	36	-1.0	-41.42	320.05	4.35	-37.07
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2)CC(F)(F)C1	REAL300024358768	0	36	-1.0	-45.29	307.87	2.85	-42.44
CP(C)(=O)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358769	0	38	-1.0	-48.43	331.43	0.62	-47.81
COC(=O)C1COC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024358770	0	43	-1.0	-46.56	360.31	1.91	-44.65
COC(=O)C1CC2CC1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358771	0	39	-1.0	-50.18	309.82	3.51	-46.67
CN(C)C(=O)OCCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358772	0	36	-1.0	-49.09	326.67	-1.13	-50.22
CP(C)(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358773	0	38	-1.0	-51.37	330.45	0.63	-50.74
COC1=CC=CC(CC2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024358774	0	40	-1.0	-44.54	355.46	2.44	-42.10
COC1=C2NC=C(CCNC(=O)CSC3=NNC(=O)[N-]3)C2=CC=C1	REAL300024358775	0	40	-1.0	-49.03	356.88	0.95	-48.08
COC(=O)[C@@H]1COCC[C@@H]1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358776	0	49	-1.0	-47.84	387.44	3.48	-44.36
CC(C)(C)OCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358777	0	45	-1.0	-43.45	361.64	2.88	-40.57
CC(C)(C)OCC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358778	0	45	-1.0	-46.21	361.83	2.83	-43.38
CC1=CC2=NC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C=C1	REAL300024358779	0	34	-1.0	-45.96	310.79	1.77	-44.19
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2C(=O)CNC2=O)C=C1	REAL300024358780	0	35	-1.0	-52.02	318.28	-1.27	-53.29
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC=C1C1=CC=CN=C1	REAL300024358781	0	38	-1.0	-45.25	343.63	2.49	-42.76
CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358782	0	33	-1.0	-54.77	329.38	-1.34	-56.11
CCOC(=O)[C@H]1C[C@@](F)(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358783	0	38	-1.0	-45.78	344.90	1.56	-44.22
CC1=CN2C=C(NC(=O)CSC3=NNC(=O)[N-]3)C=CC2=N1	REAL300024358784	0	32	-1.0	-48.06	299.21	1.90	-46.16
O=C(CSC1=NNC(=O)[N-]1)N1CC(=O)N2CCCCC2C1	REAL300024358785	0	37	-1.0	-46.46	309.55	0.84	-45.62
CC(C)(C)OC(=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358786	0	49	-1.0	-46.65	392.34	1.90	-44.75
CC(C)(C)OC(=O)NC1CCCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358787	0	49	-1.0	-53.11	392.98	1.83	-51.28
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CCS1	REAL300024358788	0	36	-1.0	-43.69	310.39	1.51	-42.18
CC(C)OC1=CC(F)=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358789	0	36	-1.0	-44.76	323.87	1.64	-43.12
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2CNS(=O)(=O)C2=C1	REAL300024358790	0	32	-1.0	-50.97	306.56	-3.84	-54.81
CCN(CC1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358791	0	39	-1.0	-45.10	320.70	1.68	-43.42
N#CC1=CN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)N=C1	REAL300024358792	0	34	-1.0	-50.35	327.41	2.40	-47.95
COC(=O)C1(CO)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358793	0	36	-1.0	-46.59	319.39	-1.13	-47.72
CC1(C)NC(=O)OC12CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024358794	0	41	-1.0	-49.42	332.20	-0.96	-50.38
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300024358795	0	47	-1.0	-46.07	378.89	3.63	-42.44
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1COC(F)F	REAL300024358796	0	36	-1.0	-44.37	306.50	2.28	-42.09
C#CC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024358797	0	31	-1.0	-45.50	306.76	2.06	-43.44
CCN1N=CC=C1CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(OC)C=C1	REAL300024358798	0	46	-1.0	-47.89	389.69	3.73	-44.16
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1C(F)F	REAL300024358799	0	46	-1.0	-47.76	393.91	0.94	-46.82
CN1C=C([C@@H]2C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)C=N1	REAL300024358800	0	43	-1.0	-49.45	370.39	4.22	-45.23
O=C(CSC1=NNC(=O)[N-]1)N1CCCCNS(=O)(=O)CC1	REAL300024358801	0	37	-1.0	-50.88	312.74	-2.92	-53.80
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(=O)N2N=CC=C2N1	REAL300024358802	0	32	-1.0	-56.14	305.72	-1.51	-57.65
CC(C)(C)OC(=O)NC12CCC(CC1NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358803	0	50	-1.0	-46.70	396.78	1.07	-45.63
CC1(C)OC(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)OC1(C)C	REAL300024358804	0	47	-1.0	-46.58	386.19	2.77	-43.81
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)C[C@@H]1C1=CC=C(C(F)(F)F)C=C1	REAL300024358805	0	40	-1.0	-47.16	365.51	1.97	-45.19
CC1=CN(C(F)F)N=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358806	0	29	-1.0	-51.19	286.08	0.51	-50.68
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(C2=CC=NC(F)=C2)N=C1	REAL300024358807	0	32	-1.0	-50.79	307.70	0.09	-50.70
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(CNC(=O)OC(C)(C)C)C=C1	REAL300024358808	0	49	-1.0	-47.15	417.93	2.95	-44.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCC(O)C1	REAL300024358809	0	39	-1.0	-44.72	318.07	-1.61	-46.33
O=C(CSC1=NNC(=O)[N-]1)NCC(CCO)C1=CC=C(C(F)(F)F)C=C1	REAL300024358810	0	42	-1.0	-47.18	381.29	0.55	-46.63
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C2C=CC(=O)NC2=N1	REAL300024358811	0	34	-1.0	-52.83	320.61	-1.07	-53.90
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358812	0	44	-1.0	-50.72	368.84	1.38	-49.34
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358813	0	51	-1.0	-47.90	408.47	3.26	-44.64
O=C(CSC1=NNC(=O)[N-]1)NC12CCC(C(F)(F)F)(CC1)C2	REAL300024358814	0	36	-1.0	-42.49	318.62	1.60	-40.89
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
CCOC1=CC=C(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)C=C1	REAL300024358816	0	43	-1.0	-47.23	362.48	2.98	-44.25
COC1=CC=C2CC(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2=C1	REAL300024358817	0	43	-1.0	-46.98	358.64	2.43	-44.55
CCOC1=CC(OCC)=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358818	0	40	-1.0	-46.96	350.54	1.19	-45.77
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)C[C@@H]1C1=NC(C2CC2)=NO1	REAL300024358819	0	39	-1.0	-51.98	351.26	-2.38	-54.36
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@@H](O)CC2(CCOCC2)C1	REAL300024358820	0	45	-1.0	-44.93	340.65	-3.56	-48.49
NS(=O)(=O)NCCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358821	0	42	-1.0	-52.41	362.68	-4.18	-56.59
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2C(=C1)CCCS2(=O)=O	REAL300024358822	0	36	-1.0	-57.12	329.11	-0.73	-57.85
CC(C)(C)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=NN21	REAL300024358823	0	42	-1.0	-45.34	337.45	4.10	-41.24
CC1=CSC(SC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)N=C2)=N1	REAL300024358824	0	35	-1.0	-49.55	352.65	2.17	-47.38
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C=CC(F)(F)F)=C1	REAL300024358825	0	33	-1.0	-45.58	318.34	3.04	-42.54
COC1(C(F)(F)CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024358826	0	39	-1.0	-42.28	329.19	0.03	-42.25
O=C(CSC1=NNC(=O)[N-]1)NCCC(O)C1=CC=C(Br)C=C1	REAL300024358827	0	36	-1.0	-46.38	345.53	-0.12	-46.50
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C1COC1	REAL300024358828	0	39	-1.0	-43.82	315.18	-1.95	-45.77
C[N@@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C1COC1	REAL300024358828	1	40	0.0	-72.85	318.07	0.28	-72.57
C[N@H+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1C1COC1	REAL300024358828	1	40	0.0	-72.64	318.79	0.16	-72.48
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC2=CC=C(O)C=C21	REAL300024358829	0	40	-1.0	-44.16	326.86	1.94	-42.22
COC(=O)[C@H]1C[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C1	REAL300024358830	0	39	-1.0	-52.99	334.33	2.60	-50.39
COC(=O)C1(C2CCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358831	0	42	-1.0	-44.98	346.82	3.84	-41.14
COC(=O)[C@@H]1CO[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]21	REAL300024358832	0	37	-1.0	-50.85	320.16	0.03	-50.82
O=C(CSC1=NNC(=O)[N-]1)NC1=CN=C(C2CCC2)N=C1	REAL300024358833	0	34	-1.0	-45.23	306.40	0.83	-44.40
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2(C1)CCCCC2	REAL300024358834	0	42	-1.0	-42.95	334.11	2.67	-40.28
CC1(C)CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC2=CC=CC=C21	REAL300024358835	0	45	-1.0	-46.43	354.96	3.76	-42.67
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(OCCO)=C1	REAL300024358836	0	34	-1.0	-51.09	310.86	-2.16	-53.25
CC(C)C1=CC=C(Cl)C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358837	0	35	-1.0	-42.65	323.05	3.29	-39.36
CC(C)C1=CC=C(C(F)(F)F)C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358838	0	38	-1.0	-42.55	342.96	3.94	-38.61
CC(C)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C(F)(F)F	REAL300024358839	0	38	-1.0	-43.13	341.16	3.45	-39.68
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(Br)C=C1O	REAL300024358840	0	30	-1.0	-44.14	305.19	-1.34	-45.48
CCC1=NC(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)=NO1	REAL300024358841	0	37	-1.0	-52.91	341.91	0.82	-52.09
CC(C)(C)C1=CC=C(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024358842	0	47	-1.0	-42.47	376.42	4.46	-38.01
CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C(=O)NC1CC1	REAL300024358843	0	40	-1.0	-46.39	352.18	1.40	-44.99
O=C(CSC1=NNC(=O)[N-]1)NC1=C(O)C=CC(Cl)=C1F	REAL300024358844	0	27	-1.0	-48.65	285.60	-1.42	-50.07
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
NC(=O)C1CC2(CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024358845	0	37	-1.0	-47.77	325.33	-2.13	-49.90
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=CC=C(F)C=C2F)C(=O)C1	REAL300024358846	0	37	-1.0	-46.48	342.43	2.76	-43.72
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=CC=C(F)C=C2F)C(=O)C1	REAL300024358847	0	40	-1.0	-44.62	356.82	2.99	-41.63
O=C(CSC1=NNC(=O)[N-]1)N1CCC(F)(C(F)(F)F)C1	REAL300024358848	0	29	-1.0	-43.38	281.29	1.20	-42.18
COC(=O)C(C)(C)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358849	0	41	-1.0	-43.80	333.78	3.11	-40.69
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024358850	0	38	-1.0	-45.04	327.11	2.18	-42.86
COC(=O)[C@]12CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]1CCCC2	REAL300024358851	0	42	-1.0	-51.32	347.08	3.38	-47.94
O=C(CSC1=NNC(=O)[N-]1)NC1C[C@@H]2CSC[C@H]2C1	REAL300024358852	0	34	-1.0	-44.11	302.99	1.40	-42.71
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC2CCC1C2	REAL300024358853	0	42	-1.0	-43.31	329.47	2.91	-40.40
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C=CC(F)(F)F)C=C1	REAL300024358854	0	33	-1.0	-44.75	318.60	3.03	-41.72
C=C(C)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C(F)(F)F	REAL300024358855	0	36	-1.0	-44.08	336.07	3.39	-40.69
CC(COC1=CC=CC=C1)(NC(=O)CSC1=NNC(=O)[N-]1)C(N)=O	REAL300024358856	0	40	-1.0	-52.62	352.94	-1.89	-54.51
O=C(CSC1=NNC(=O)[N-]1)NC1(C23CC4CC(CC(C4)C2)C3)CC1	REAL300024358857	0	47	-1.0	-42.22	350.01	3.95	-38.27
COCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C2NC=CC2=C1	REAL300024358858	0	40	-1.0	-46.13	353.73	0.94	-45.19
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358859	0	48	-1.0	-43.33	366.70	0.62	-42.71
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300024358860	0	48	0.0	-64.83	387.54	4.00	-60.83
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300024358860	1	48	0.0	-64.72	387.65	3.98	-60.74
O=C(CSC1=NNC(=O)[N-]1)NC1CCCOC12CCOCC2	REAL300024358861	0	41	-1.0	-43.59	329.84	-0.56	-44.15
CN(C)C(=O)CC1(NC(=O)CSC2=NNC(=O)[N-]2)COC1	REAL300024358862	0	37	-1.0	-48.80	324.12	-2.05	-50.85
O=C(CSC1=NNC(=O)[N-]1)NN=C1CCC2=CC=CC=C21	REAL300024358863	0	33	-1.0	-48.28	299.81	2.31	-45.97
NS(=O)(=O)NC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024358864	0	33	-1.0	-48.92	315.02	-5.14	-54.06
CCOCC1=NC(C(C)NC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024358865	0	37	-1.0	-45.42	341.21	-2.95	-48.37
CC1(C)NC(=O)OC12CCN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358866	0	38	-1.0	-54.02	321.19	-1.79	-55.81
CCOC(=O)[C@]12CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]1CCCC2	REAL300024358867	0	45	-1.0	-50.86	364.95	4.00	-46.86
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C2(C1)CCOCC2	REAL300024358868	0	43	-1.0	-44.68	345.94	1.92	-42.76
CCOC(=O)[C@]12CCCC[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)CCC2	REAL300024358869	0	48	-1.0	-51.44	370.88	4.93	-46.51
COC(=O)C1CC2(C1)CCCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024358870	0	39	-1.0	-45.46	330.69	2.39	-43.07
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
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCC(F)(F)CC1	REAL300024358872	0	41	-1.0	-46.17	338.26	2.74	-43.43
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCC(C(F)(F)F)CC1	REAL300024358873	0	44	-1.0	-46.93	357.46	3.29	-43.64
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=C(F)C=CC(Cl)=C1F	REAL300024358874	0	36	-1.0	-45.97	338.29	5.00	-40.97
COC1=CC(OC)=C(C2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C(OC)=C1	REAL300024358875	0	48	-1.0	-49.09	396.73	2.90	-46.19
O=C(CSC1=NNC(=O)[N-]1)N1CCCC12CCS(=O)(=O)C2	REAL300024358876	0	36	-1.0	-53.85	305.65	-0.55	-54.40
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCOCC2)C12CC2	REAL300024358877	0	41	-1.0	-44.59	325.50	1.73	-42.86
CN1C2=CC=NC=C2N=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358878	0	31	-1.0	-52.54	291.60	2.16	-50.38
CC(C)(C)C(CS(C)(=O)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358879	0	40	-1.0	-57.08	340.90	-1.45	-58.53
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=CC=C2Br)CC1	REAL300024358880	0	33	-1.0	-43.49	317.48	2.48	-41.01
COC1=CC2=NC(NC(=O)CSC3=NNC(=O)[N-]3)=CC(C)=C2C=C1	REAL300024358881	0	38	-1.0	-56.54	337.75	2.42	-54.12
CC1CCC(CNC(=O)C(F)(F)F)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358882	0	42	-1.0	-46.26	363.10	1.96	-44.30
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
CN1N=NN=C1C1=CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358883	0	35	-1.0	-48.84	316.20	0.40	-48.44
O=C(CSC1=NNC(=O)[N-]1)N1CC=CCC2(CCOCC2)C1	REAL300024358884	0	41	-1.0	-45.28	319.39	2.16	-43.12
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CN=C1OC(F)F	REAL300024358885	0	32	-1.0	-48.03	311.07	-1.68	-49.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC2=CC(O)=CC=C21	REAL300024358886	0	37	-1.0	-46.95	318.25	-0.31	-47.26
CSCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1Cl	REAL300024358887	0	36	-1.0	-46.04	351.05	3.87	-42.17
COC(=O)C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)[C@H]2COC[C@@H]2O1	REAL300024358888	0	41	-1.0	-48.06	349.53	0.01	-48.05
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C2(CCC2)CO1	REAL300024358889	0	40	-1.0	-44.50	337.67	1.60	-42.90
COC(=O)[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1C(F)(F)F	REAL300024358890	0	35	-1.0	-46.50	329.76	1.57	-44.93
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(C(F)(F)F)=C(Cl)C=C1O	REAL300024358891	0	30	-1.0	-44.53	310.02	-0.59	-45.12
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
CC1=CC(O)=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C(F)(F)F	REAL300024358892	0	33	-1.0	-45.55	312.57	-0.49	-46.04
CN(C)S(=O)(=O)C1=CC=C(O)C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358893	0	38	-1.0	-52.11	352.92	-4.01	-56.12
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	0	38	-1.0	-52.46	355.00	-4.98	-57.44
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
CCOC(=O)C1=NOC2=C1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024358895	0	38	-1.0	-47.16	343.06	2.26	-44.90
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300024358896	0	45	-1.0	-44.78	367.19	5.81	-38.97
CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358897	0	48	-1.0	-46.26	393.15	2.07	-44.19
CC1(C)CC1(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358898	0	42	-1.0	-44.49	347.76	3.93	-40.56
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
COCC1CCOCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358900	0	37	-1.0	-45.83	306.37	0.16	-45.67
CC1=CN=C(C(O)(CCNC(=O)CSC2=NNC(=O)[N-]2)C(F)(F)F)O1	REAL300024358901	0	38	-1.0	-47.88	357.00	-3.68	-51.56
CC(C)(C)OC(=O)N1[C@H](CNC(=O)CSC2=NNC(=O)[N-]2)COC1(C)C	REAL300024358902	0	50	-1.0	-44.42	404.68	0.59	-43.83
O=C(CSC1=NNC(=O)[N-]1)NC1(COC2=CC=CC=C2)CC1	REAL300024358903	0	37	-1.0	-45.82	334.39	1.80	-44.02
CC1=C(NC(=O)CSC2=NNC(=O)[N-]2)C=CC=C1S(C)(=O)=O	REAL300024358904	0	35	-1.0	-51.51	315.23	-0.97	-52.48
COC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024358905	0	36	-1.0	-45.32	320.79	-0.60	-45.92
COC(=O)C12CCC(CNC(=O)CSC3=NNC(=O)[N-]3)(C1)OC2	REAL300024358906	0	40	-1.0	-46.58	349.59	-0.20	-46.78
O=C(CSC1=NNC(=O)[N-]1)N1CCOCCC12CCOCC2	REAL300024358907	0	41	-1.0	-45.15	309.11	-0.43	-45.58
COC(=O)C1=C(C2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)OC=N1	REAL300024358908	0	41	-1.0	-51.85	360.21	-0.08	-51.93
CC(C)(C)C(O)CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024358909	0	42	-1.0	-43.66	338.63	0.98	-42.68
CSC1=NC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024358910	0	34	-1.0	-49.16	328.10	0.15	-49.01
CC1=CC=C2C(=C1)N(C(=O)CSC1=NNC(=O)[N-]1)CCN2C1CC1	REAL300024358911	0	42	-1.0	-44.19	344.91	3.57	-40.62
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2CCOCC2)C=C1Cl	REAL300024358912	0	39	-1.0	-43.06	346.85	0.18	-42.88
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358913	0	38	-1.0	-45.21	343.94	3.90	-41.31
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2CCCNS2(=O)=O)C=C1	REAL300024358914	0	40	-1.0	-57.37	354.02	-2.28	-59.65
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CC1CC2(O)C(F)(F)F	REAL300024358915	0	37	-1.0	-45.39	323.65	-1.32	-46.71
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)OCC12CCC2	REAL300024358916	0	38	-1.0	-44.36	314.44	-2.25	-46.61
CC1=NC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2C=C1	REAL300024358917	0	34	-1.0	-46.81	310.96	1.72	-45.09
COC1=CC=CC(OC)=C1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358918	0	44	-1.0	-46.89	367.35	2.79	-44.10
CCCC[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024358919	0	46	-1.0	-42.74	379.64	2.96	-39.78
CCCC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024358920	0	46	-1.0	-46.74	387.11	3.40	-43.34
CC(C)(C)OC(=O)[C@]12C[C@H]1[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024358921	0	42	-1.0	-46.11	362.10	2.73	-43.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NC=C(C2=CC=C(F)C=C2)O1	REAL300024358922	0	38	-1.0	-44.45	355.65	0.30	-44.15
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@]2(CO)CCCC[C@H]12	REAL300024358923	0	43	-1.0	-42.80	324.87	0.66	-42.14
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@]2(CO)CCC[C@@H]12	REAL300024358924	0	40	-1.0	-43.35	319.59	-0.12	-43.47
CN1C=C(S(C)(=O)=NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024358925	0	31	-1.0	-56.86	303.98	-2.52	-59.38
CN(CCC(O)C1=CC=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358926	0	36	-1.0	-46.14	334.33	0.40	-45.74
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=NC=CC(C(F)(F)F)=N2)CC1	REAL300024358927	0	34	-1.0	-50.90	332.99	0.69	-50.21
COC(=O)COC1=CC=CC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358928	0	42	-1.0	-49.36	377.00	3.92	-45.44
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1O	REAL300024358929	0	39	-1.0	-44.29	313.84	-0.42	-44.71
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)CO1	REAL300024358930	0	39	-1.0	-44.52	331.54	1.37	-43.15
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NOCC2)CC1	REAL300024358931	0	37	-1.0	-50.40	316.14	1.28	-49.12
CN1C=CN=C1[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024358932	0	43	-1.0	-49.37	328.79	3.53	-45.84
C[NH+](C)CC1=CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024358933	0	44	0.0	-70.24	373.86	3.53	-66.71
CC1=CC=C2C(=C1)N(C)CCN2C(=O)CSC1=NNC(=O)[N-]1	REAL300024358934	0	38	-1.0	-44.36	318.63	2.13	-42.23
O=C(CSC1=NNC(=O)[N-]1)NCC1=NNC2=CC=C(Cl)C=C21	REAL300024358935	0	32	-1.0	-44.90	317.74	-0.03	-44.93
O=C(CSC1=NNC(=O)[N-]1)NCC1=C2C=C(Cl)C=CC2=NN1	REAL300024358935	1	32	-1.0	-45.01	317.50	-0.05	-45.06
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300024358936	0	40	-1.0	-48.61	349.74	3.98	-44.63
COC(=O)C12COC(CNC(=O)CSC3=NNC(=O)[N-]3)(C1)CCC2	REAL300024358937	0	43	-1.0	-46.68	360.33	0.41	-46.27
COC(=O)CC1COC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024358938	0	39	-1.0	-49.59	344.30	-0.57	-50.16
COC1=CC(C)=CC(C)=C1C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358939	0	42	-1.0	-44.09	355.90	2.63	-41.46
CCSC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024358940	0	33	-1.0	-42.97	324.53	3.05	-39.92
CC(C)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1F	REAL300024358941	0	35	-1.0	-43.20	313.11	2.68	-40.52
CS(=O)(CCCCC#N)=NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358942	0	34	-1.0	-67.45	326.04	-0.10	-67.55
COC1(OC)CCS(=O)(=NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358943	0	39	-1.0	-55.91	332.45	-1.96	-57.87
O=C(CSC1=NNC(=O)[N-]1)N1CCCOCC12CCCC2	REAL300024358944	0	40	-1.0	-42.31	309.83	1.81	-40.50
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC2=CC=CC=C2C1	REAL300024358945	0	42	-1.0	-43.92	346.89	4.50	-39.42
CC(C)(C)OC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024358946	0	41	-1.0	-48.37	370.25	3.83	-44.54
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300024358947	0	48	0.0	-71.25	381.21	4.58	-66.67
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300024358947	1	48	0.0	-70.39	382.26	4.50	-65.89
O=C(CSC1=NNC(=O)[N-]1)N1CCOCCC1C1CCOCC1	REAL300024358948	0	44	-1.0	-45.17	340.36	0.77	-44.40
O=C(CSC1=NNC(=O)[N-]1)N1CCOCCC1C1=CC=C(F)C=C1	REAL300024358949	0	40	-1.0	-47.13	335.64	2.98	-44.15
COC(=O)CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(F)F	REAL300024358950	0	41	-1.0	-48.23	345.39	3.58	-44.65
CN1C(CC2=CC=CC=C2)=CN=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358951	0	42	-1.0	-46.95	373.42	3.33	-43.62
CCC1=CSC(CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024358952	0	34	-1.0	-46.45	323.18	0.11	-46.34
O=C(CSC1=NNC(=O)[N-]1)N1CC2=CC=CC=C2C2CC1C2	REAL300024358953	0	37	-1.0	-44.99	310.07	4.15	-40.84
CN1C=NC=C1C(CCO)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024358954	0	39	-1.0	-49.71	338.41	-1.43	-51.14
CN1C=C(NC(=O)CSC2=NNC(=O)[N-]2)C(C2CCCC2)=N1	REAL300024358955	0	39	-1.0	-44.28	335.24	1.70	-42.58
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OCC2=NC=CS2)C1	REAL300024358956	0	36	-1.0	-47.95	338.00	0.39	-47.56
COC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC2=CC=C(OC)C=C21	REAL300024358957	0	43	-1.0	-46.87	371.23	3.01	-43.86
COC(=O)[C@@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CS1	REAL300024358958	0	33	-1.0	-45.54	312.82	0.48	-45.06
COC1(C)CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358959	0	39	-1.0	-44.55	315.73	-0.35	-44.90
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1OC(F)(F)F	REAL300024358960	0	36	-1.0	-45.26	335.24	1.60	-43.66
CC(C)OC1=CC(Cl)=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024358961	0	36	-1.0	-44.17	334.19	2.09	-42.08
N#CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1OC1CCCC1	REAL300024358962	0	41	-1.0	-51.14	362.44	3.34	-47.80
O=C(CSC1=NNC(=O)[N-]1)NC1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300024358963	0	40	-1.0	-44.87	363.82	2.55	-42.32
COC1=CC=C(C(C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024358964	0	35	-1.0	-44.91	318.53	-1.64	-46.55
COC(=O)CN1C=CC2=C(NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C21	REAL300024358965	0	39	-1.0	-51.94	358.05	3.65	-48.29
CC(C)(CC1=CNC2=CC(F)=CC=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358966	0	42	-1.0	-47.32	356.18	2.49	-44.83
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)C(OCC2=CC=CC=C2)C1	REAL300024358967	0	49	-1.0	-44.87	404.83	4.69	-40.18
CCOC(=O)CC1=CC=CC2=C1CN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024358968	0	45	-1.0	-46.90	384.83	5.35	-41.55
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C[C@@H]1CO)OCCO2	REAL300024358969	0	36	-1.0	-47.78	311.16	-1.99	-49.77
O=C(CSC1=NNC(=O)[N-]1)N1CCC2=C(C1)C(C(F)(F)F)=NNC2=O	REAL300024358970	0	35	-1.0	-45.21	322.99	-0.45	-45.66
CN1N=CC2=C1N=CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C2=O	REAL300024358971	0	37	-1.0	-57.03	343.97	0.53	-56.50
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC2(CCOCC2)C1	REAL300024358972	0	43	-1.0	-44.04	320.25	1.96	-42.08
CC1=CSC(COC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024358973	0	39	-1.0	-48.18	359.78	0.99	-47.19
COC(=O)[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024358974	0	38	-1.0	-44.32	331.22	2.60	-41.72
COC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CC=CC1	REAL300024358975	0	36	-1.0	-44.56	319.74	1.35	-43.21
CCCOC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024358976	0	42	-1.0	-44.59	352.09	1.28	-43.31
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC2(CCCCC2)C1	REAL300024358977	0	45	-1.0	-43.22	344.87	3.01	-40.21
O=C(CSC1=NNC(=O)[N-]1)NC(CO)C12CC3CC(CC(C3)C1)C2	REAL300024358978	0	47	-1.0	-42.99	354.83	0.77	-42.22
O=C(CSC1=NNC(=O)[N-]1)NC1=NC2=C(S1)C(=O)NCCC2	REAL300024358979	0	33	-1.0	-47.74	309.79	-1.94	-49.68
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
COC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1C1=CC=CC=C1	REAL300024358980	0	40	-1.0	-48.02	356.06	3.79	-44.23
CC(C)OC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC(C(F)(F)F)=C1	REAL300024358981	0	39	-1.0	-44.92	356.39	2.58	-42.34
CSCC(CC1=CC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358982	0	36	-1.0	-47.47	343.77	2.79	-44.68
CCOC(=O)C(CCC#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358983	0	35	-1.0	-45.65	324.45	0.80	-44.85
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=C(C(F)(F)F)C=C1)C(F)F	REAL300024358984	0	35	-1.0	-45.96	338.99	2.95	-43.01
CC1=NC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358985	0	46	0.0	-70.23	375.84	2.01	-68.22
CC1=NC(N2CCN(C)CC2)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024358985	1	45	-1.0	-44.28	372.95	-0.38	-44.66
O=C(CSC1=NNC(=O)[N-]1)NC1=NNC=C1C1=CC=C([N+](=O)[O-])C=C1	REAL300024358986	0	35	-1.0	-53.23	337.89	2.76	-50.47
COC1=CC=C2NC=C(C(C)CNC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024358987	0	43	-1.0	-48.64	375.16	1.62	-47.02
COC(=O)C(NC(=O)CSC1=NNC(=O)[N-]1)C12CC3CC(CC(C3)C1)C2	REAL300024358988	0	49	-1.0	-45.88	380.58	4.04	-41.84
O=C(CSC1=NNC(=O)[N-]1)N(CC1=CN(C2=CC=CC=C2)N=C1)C1CC1	REAL300024358989	0	43	-1.0	-47.31	371.56	5.25	-42.06
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(C#CC2CC2)C=C1	REAL300024358990	0	38	-1.0	-44.78	354.98	4.58	-40.20
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1C(O)CCC2O	REAL300024358991	0	38	-1.0	-48.51	305.98	-3.59	-52.10
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1C[C@H](O)[C@@H]2O	REAL300024358992	0	35	-1.0	-46.86	301.34	-4.36	-51.22
CCCOC(=O)NCCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024358993	0	42	-1.0	-48.12	368.62	0.22	-47.90
COC1(OC)CC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024358994	0	44	-1.0	-45.33	368.63	1.81	-43.52
CCC1=C(C2=CC=CC=C2)N=C(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024358995	0	38	-1.0	-49.74	353.25	4.31	-45.43
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(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024358996	0	36	-1.0	-50.20	354.93	4.03	-46.17
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(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024358997	0	38	-1.0	-46.49	355.11	1.81	-44.68
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
CC(C)(C)OC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C1	REAL300024358998	0	49	-1.0	-48.38	398.44	1.40	-46.98
CCC(NC(=O)CSC1=NNC(=O)[N-]1)C1COCCO1	REAL300024358999	0	37	-1.0	-44.27	312.15	-1.26	-45.53
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC=C(C(F)F)C=N1	REAL300024359000	0	30	-1.0	-47.14	298.29	-1.04	-48.18
COC1=CC=CC(C(NC(=O)CSC2=NNC(=O)[N-]2)C2CCCCC2)=C1	REAL300024359001	0	49	-1.0	-44.79	389.23	4.12	-40.67
O=C(CSC1=NNC(=O)[N-]1)NC12CC(N3CCCCC3=O)(C1)C2	REAL300024359002	0	41	-1.0	-46.52	348.81	0.70	-45.82
CCCO[C@@H]1CCCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359003	0	42	-1.0	-44.70	351.90	1.35	-43.35
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC(F)=C21	REAL300024359004	0	35	-1.0	-42.83	299.62	1.44	-41.39
COCCOC1=CC=C(Cl)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359005	0	37	-1.0	-46.28	348.07	0.86	-45.42
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2OC(C(F)F)=NC2=C1	REAL300024359006	0	31	-1.0	-51.88	304.57	-1.30	-53.18
COC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1S(N)(=O)=O	REAL300024359007	0	35	-1.0	-51.49	330.31	-4.52	-56.01
CC(C)N(CC1=NOC(C2CC2)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359008	0	41	-1.0	-50.48	350.75	3.84	-46.64
COC(=O)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024359009	0	32	-1.0	-52.49	302.95	1.39	-51.10
COC(=O)C1(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024359010	0	39	-1.0	-47.63	346.16	3.36	-44.27
O=C(CSC1=NNC(=O)[N-]1)NC1CC[Si]2(CCCC2)CC1	REAL300024359011	0	42	-1.0	-45.30	347.98	4.60	-40.70
O=C(CSC1=NNC(=O)[N-]1)NC1CC[Si]2(CCCCC2)CC1	REAL300024359012	0	45	-1.0	-45.41	364.38	4.97	-40.44
CC1CCC(CNC(=O)OC(C)(C)C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024359013	0	52	-1.0	-46.80	413.24	2.09	-44.71
CC(C)(C)OC(=O)N1CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C1	REAL300024359014	0	50	-1.0	-51.90	398.90	3.16	-48.74
CN(C(=O)OC(C)(C)C)C1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024359015	0	46	-1.0	-46.54	393.49	3.22	-43.32
O=C(CSC1=NNC(=O)[N-]1)NC(C(F)(F)F)C12CC3CC(CC(C3)C1)C2	REAL300024359016	0	46	-1.0	-42.33	357.70	3.95	-38.38
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300024359017	0	36	-1.0	-45.83	315.81	3.98	-41.85
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(CC2=NC=CC=N2)N=C1	REAL300024359018	0	34	-1.0	-52.78	321.49	-0.42	-53.20
COC(=O)C1=C(C)C=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024359019	0	35	-1.0	-46.00	329.68	2.10	-43.90
COC(=O)C1=NC=CC2=C(NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C21	REAL300024359020	0	37	-1.0	-47.07	337.30	1.84	-45.23
CC(C)(C)O[C@H]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024359021	0	45	-1.0	-44.80	364.29	1.61	-43.19
COC1=CC=C(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCCCC2)C=C1	REAL300024359022	0	46	-1.0	-46.43	369.88	3.76	-42.67
CC(C)(C)OC(=O)N1CC2CCCC(C1)N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024359023	0	50	-1.0	-44.19	386.95	4.25	-39.94
COC1=CC(Br)=C(Cl)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359024	0	30	-1.0	-43.29	311.96	1.22	-42.07
COC(=O)C(CC1=COC2=CC=CC=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359025	0	41	-1.0	-50.59	372.95	3.19	-47.40
CC(C)(C)OC(=O)NCCN1C=C(NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024359026	0	46	-1.0	-54.73	398.14	-0.90	-55.63
O=C(CSC1=NNC(=O)[N-]1)NC1=NC(C2=CC=CC=N2)=NN1C1=CC=CC=C1	REAL300024359027	0	41	-1.0	-53.15	377.44	6.38	-46.77
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC=C(C2=CC=CC=C2)S1	REAL300024359028	0	35	-1.0	-44.78	336.74	1.67	-43.11
CCSC1=CC(C(=O)OC)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359029	0	39	-1.0	-43.93	362.23	3.39	-40.54
COC1=CC=CC(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCCCC2)=C1	REAL300024359030	0	46	-1.0	-45.70	369.89	3.77	-41.93
CC12CC3(C)CC(F)(C1)CC(NC(=O)CSC1=NNC(=O)[N-]1)(C2)C3	REAL300024359031	0	46	-1.0	-45.70	356.11	3.18	-42.52
CCC[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024359032	0	43	0.0	-66.30	337.81	1.30	-65.00
CCC[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024359032	1	43	0.0	-66.00	338.38	1.39	-64.61
CC1=CSC(CCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024359033	0	34	-1.0	-48.63	319.86	1.47	-47.16
CC(CCC1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359034	0	37	-1.0	-45.37	330.88	1.61	-43.76
COCC1=NC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024359035	0	34	-1.0	-46.78	311.39	-1.54	-48.32
CN1N=CC2=C1CC(NC(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024359036	0	36	-1.0	-47.56	316.16	0.29	-47.27
CC1=C(C2=CC=C(OC(F)F)C=C2)C(NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024359037	0	40	-1.0	-50.79	370.49	2.13	-48.66
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CC1=CC=C(F)C=C1)C1=NC=CN1C	REAL300024359038	0	45	-1.0	-48.15	390.88	6.14	-42.01
C=CCC1C(NC(=O)CSC2=NNC(=O)[N-]2)CC1OC(C)(C)C	REAL300024359039	0	46	-1.0	-42.37	376.09	2.76	-39.61
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL300024359040	0	40	-1.0	-44.58	339.59	3.93	-40.65
C[C@@H]1C[C@]1(CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359041	0	39	-1.0	-43.35	338.99	3.50	-39.85
COC(=O)C1=CC(C#N)=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024359042	0	33	-1.0	-49.88	323.49	1.78	-48.10
O=C(CSC1=NNC(=O)[N-]1)NCC1=CN=C(C2=CC=CC=C2)O1	REAL300024359043	0	35	-1.0	-45.77	330.61	-0.48	-46.25
CC(C)C1CCOCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024359044	0	39	-1.0	-44.74	307.56	1.27	-43.47
COC(=O)C1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C(OC)=C1	REAL300024359045	0	39	-1.0	-47.14	357.13	0.83	-46.31
COC(=O)C1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C(F)(F)F	REAL300024359046	0	38	-1.0	-48.32	358.93	2.31	-46.01
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CC[C@H](C2=CC=CC=C2)C1	REAL300024359047	0	39	-1.0	-43.84	336.07	3.41	-40.43
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)CCC2=CC=CC=C21	REAL300024359048	0	37	-1.0	-43.15	318.31	1.03	-42.12
O=C(CSC1=NNC(=O)[N-]1)NC1(C2=CC=CC=C2F)CCCC1	REAL300024359049	0	39	-1.0	-43.77	325.64	3.04	-40.73
COC(=O)CN(CC1=CC=CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359050	0	35	-1.0	-49.75	326.69	2.47	-47.28
CC[C@H](CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359051	0	38	-1.0	-45.08	327.50	3.23	-41.85
COC(=O)C1CCC2(CCOCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024359052	0	46	-1.0	-51.23	362.89	3.00	-48.23
O=C(CSC1=NNC(=O)[N-]1)N(CC(O)C(F)(F)F)C1CC1	REAL300024359053	0	33	-1.0	-44.22	305.67	-0.49	-44.71
COC1=CC=C([C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1[N+](=O)[O-]	REAL300024359054	0	38	-1.0	-51.15	346.97	2.42	-48.73
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CS(=O)(=O)C2=CC=CC=C21	REAL300024359055	0	36	-1.0	-47.62	322.96	0.14	-47.48
COC1=CC2=C(NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C2C=C1	REAL300024359056	0	36	-1.0	-46.47	319.82	2.43	-44.04
COC(=O)C(CC1=CC=C(Cl)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359057	0	37	-1.0	-51.98	359.45	1.48	-50.50
C[C@H](CC1=CC=C2OCCOC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359058	0	41	-1.0	-49.73	358.16	1.78	-47.95
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(CC(COCC3=CC=CC=C3)C2)C1	REAL300024359059	0	50	-1.0	-45.34	423.65	4.92	-40.42
CCN(CC(C)NC(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359060	0	48	-1.0	-49.75	393.51	1.96	-47.79
CC1=C2N=C(NC(=O)CSC3=NNC(=O)[N-]3)NC2=CC=C1	REAL300024359061	0	32	-1.0	-44.16	295.01	2.81	-41.35
CC1=C2NC(NC(=O)CSC3=NNC(=O)[N-]3)=NC2=CC=C1	REAL300024359061	1	32	-1.0	-44.16	295.01	2.82	-41.34
CCOC1=CC=C(C2(NC(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024359062	0	40	-1.0	-46.61	350.07	2.67	-43.94
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@@H](C2=CC=CO2)C1	REAL300024359063	0	39	-1.0	-43.70	326.75	3.44	-40.26
COC(=O)C1=NNC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024359064	0	42	-1.0	-49.25	367.03	1.67	-47.58
CC1=C(CNC(=O)CSC2=NNC(=O)[N-]2)N=C(C2=CC=C(F)C=C2)O1	REAL300024359065	0	38	-1.0	-45.57	357.61	0.11	-45.46
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024359066	0	42	-1.0	-42.66	324.62	2.97	-39.69
CCON1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024359067	0	38	-1.0	-44.49	328.40	-0.72	-45.21
CC1=NOC2(C1)CCN(C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024359068	0	37	-1.0	-46.90	315.82	1.24	-45.66
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OC(F)(F)C(F)(F)F)C=N1	REAL300024359069	0	32	-1.0	-49.35	324.36	1.21	-48.14
CCOC(=O)CC1(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024359070	0	35	-1.0	-44.95	320.03	0.99	-43.96
C[C@H](CC1=CC=C2CCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359071	0	42	-1.0	-45.57	359.21	4.53	-41.04
COC(=O)C12CCC(CC1NC(=O)CSC1=NNC(=O)[N-]1)C2(C)C	REAL300024359072	0	45	-1.0	-44.20	358.40	2.94	-41.26
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2=CC(Br)=CC=C2C1	REAL300024359073	0	36	-1.0	-44.83	325.44	4.41	-40.42
CC(C)(C)OC(=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024359074	0	52	-1.0	-48.33	414.65	1.75	-46.58
COC(=O)C1=NOC(CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024359075	0	34	-1.0	-50.31	327.54	-0.22	-50.53
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C(O)C2CC2)=NN1	REAL300024359076	0	36	-1.0	-45.35	330.82	-3.22	-48.57
O=C(CSC1=NNC(=O)[N-]1)NCC1=NNC(C(O)C2CC2)=N1	REAL300024359076	1	36	-1.0	-45.95	334.35	-3.49	-49.44
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C2=CC=C(Cl)C=C2)SC=C1	REAL300024359077	0	33	-1.0	-45.07	330.89	4.33	-40.74
COC1=CC2=CC=C(C[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=C2C=C1	REAL300024359078	0	45	-1.0	-49.43	389.01	4.19	-45.24
CN(C)S(=O)(=NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024359079	0	36	-1.0	-55.45	338.29	0.20	-55.25
CC1=CC(CS(N)(=O)=O)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359080	0	37	-1.0	-54.81	343.88	-2.76	-57.57
CN1C(=O)NN=C1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024359081	0	39	-1.0	-52.42	336.66	0.62	-51.80
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=CC=CC(O)=C2)CC1	REAL300024359082	0	43	-1.0	-46.23	360.84	2.39	-43.84
CSCC(C1=CC=CC=C1Cl)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359083	0	39	-1.0	-45.43	359.62	5.32	-40.11
CCOC1=CC=C(C[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1OC	REAL300024359084	0	46	-1.0	-50.11	394.26	2.76	-47.35
CC1=CC=CC(OCC2=CC=CC=C2)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359085	0	43	-1.0	-47.87	382.87	5.05	-42.82
COC1CCC2C(OC)CCC1N2C(=O)CSC1=NNC(=O)[N-]1	REAL300024359086	0	44	-1.0	-46.14	349.96	0.71	-45.43
O=C(CSC1=NNC(=O)[N-]1)NC1=CN(C2=NC=CC=C2Cl)N=C1	REAL300024359087	0	32	-1.0	-49.64	316.34	1.84	-47.80
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(=C(F)F)CC1	REAL300024359088	0	33	-1.0	-43.33	298.95	1.14	-42.19
N#CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCC1(F)F	REAL300024359089	0	36	-1.0	-49.59	311.77	2.84	-46.75
CC(CCNC(=O)OC(C)(C)C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359090	0	48	-1.0	-52.19	395.28	1.35	-50.84
COC1C(C)(C)CN(C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024359091	0	42	-1.0	-45.03	339.42	2.02	-43.01
CCC(COC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359092	0	32	-1.0	-42.64	298.95	-0.96	-43.60
CCOC(=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024359093	0	39	-1.0	-46.62	343.65	4.25	-42.37
O=C(CSC1=NNC(=O)[N-]1)NC1=CC2=C(C=C1F)NC(=O)CO2	REAL300024359094	0	32	-1.0	-45.86	303.72	-1.93	-47.79
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1[N+](=O)[O-]	REAL300024359095	0	31	-1.0	-45.48	291.82	1.91	-43.57
COC(=O)C1=CC=CC(N(C)C(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024359096	0	38	-1.0	-48.10	338.42	4.18	-43.92
CCC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C(=O)OC(C)(C)C	REAL300024359097	0	43	-1.0	-42.68	358.14	2.18	-40.50
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC1)CC(=O)NCC2O	REAL300024359098	0	41	-1.0	-50.29	329.18	-3.53	-53.82
COC1=CC=CC=C1[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024359099	0	40	-1.0	-45.20	345.64	2.18	-43.02
COC(=O)CCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024359100	0	38	-1.0	-47.10	334.64	2.37	-44.73
CC1=NN(C)C(C(F)F)=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359101	0	32	-1.0	-48.62	305.62	-0.29	-48.91
CC(C)C(C)OC1=NN(C)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359102	0	42	-1.0	-43.98	362.79	-0.45	-44.43
O=C(CSC1=NNC(=O)[N-]1)N1CCS(=O)(=O)N2CCCCCC12	REAL300024359103	0	41	-1.0	-45.78	331.28	0.02	-45.76
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC2=CC(Br)=CC=C2[C@H]1O	REAL300024359104	0	37	-1.0	-46.43	343.49	0.13	-46.30
COC1=CC=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C3(CC3)CC2=C1	REAL300024359105	0	41	-1.0	-44.44	347.23	3.65	-40.79
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CC1=CC=C(CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1O	REAL300024359108	0	36	-1.0	-46.88	326.54	-0.48	-47.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NN=NN1C1=CC=CC=C1	REAL300024359109	0	37	-1.0	-45.55	337.04	0.59	-44.96
COC12CCCC(CC(NC(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024359110	0	43	-1.0	-44.58	333.36	0.55	-44.03
COC1=CC([C@@H]2C[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=C(OC)C=C1C	REAL300024359111	0	44	-1.0	-47.04	379.47	1.66	-45.38
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CC1=CC=C([C@H]2C[C@H](C)CCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024359113	0	42	-1.0	-43.77	348.67	4.25	-39.52
CCC1=CC=C([C@@H]2C[C@@H](C)CCN2C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024359114	0	45	-1.0	-43.45	370.15	5.05	-38.40
CCN(CCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024359115	0	46	-1.0	-45.37	387.02	5.38	-39.99
CC1C2=CC(F)=CC=C2CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024359116	0	36	-1.0	-44.46	315.58	3.96	-40.50
CCO[C@@H]1C[C@@H](C(=O)OC)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024359117	0	39	-1.0	-47.73	345.71	1.13	-46.60
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC(NC(=O)OC(C)(C)C)CC1	REAL300024359118	0	55	-1.0	-49.60	411.95	2.64	-46.96
COC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=NC=C12	REAL300024359119	0	37	-1.0	-46.07	336.45	1.86	-44.21
CC(CCC(=O)OC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024359120	0	43	-1.0	-45.14	365.67	2.43	-42.71
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CC1=CC=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1C(F)(F)F	REAL300024359122	0	32	-1.0	-42.71	298.18	2.75	-39.96
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CCOC(=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C12CCSCC2	REAL300024359126	0	46	-1.0	-45.71	369.67	3.92	-41.79
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OCC2=CC=CC=N2)C=C1	REAL300024359127	0	39	-1.0	-47.00	352.17	2.31	-44.69
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CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024359129	0	49	-1.0	-54.13	396.20	3.09	-51.04
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[N-]=[N+]=NC1=CC=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024359137	0	31	-1.0	-43.24	301.49	-1.44	-44.68
[N-]=[N+]=NC1=CC=C(CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024359138	0	31	-1.0	-43.17	301.49	-1.45	-44.62
[N-]=[N+]=NC[C@H]1CCC[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024359139	0	40	-1.0	-43.91	346.15	-1.44	-45.35
[N-]=[N+]=NC1=CC=CC=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024359140	0	31	-1.0	-44.39	300.46	-1.39	-45.78
[N-]=[N+]=NC1CC2CCC1(NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024359141	0	35	-1.0	-44.94	308.11	-2.58	-47.52
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
COCCC1=NN=C(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024359142	1	31	-1.0	-50.16	306.48	-1.32	-51.48
CC(C)C1=C(C#N)C(NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024359143	0	33	-1.0	-47.18	313.76	0.63	-46.55
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CNC(=O)N2)CC1	REAL300024359144	0	36	-1.0	-49.36	304.29	-2.83	-52.19
CN(C(=O)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CC=N1	REAL300024359145	0	45	-1.0	-49.10	378.27	3.08	-46.02
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC2=CC=C(Br)N=C21	REAL300024359146	0	31	-1.0	-46.30	309.05	1.80	-44.50
C[C@@H]1C[N@H+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C[C@H](C)O1	REAL300024359147	0	49	0.0	-70.39	380.13	2.99	-67.40
C[C@@H]1C[N@@H+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C[C@H](C)O1	REAL300024359147	1	49	0.0	-70.89	373.21	3.01	-67.88
CCC1(N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)COC1	REAL300024359148	0	42	-1.0	-43.23	334.69	-1.06	-44.29
O=C(CSC1=NNC(=O)[N-]1)NC(C1=CC=CO1)C(F)F	REAL300024359149	0	29	-1.0	-43.08	287.15	0.03	-43.05
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[C@H]1CCCC[C@@H]1O	REAL300024601299	0	46	-1.0	-48.73	384.87	-3.03	-51.76
C[C@@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)N1C=NN=N1	REAL300024601300	0	37	-1.0	-57.55	342.58	-3.05	-60.60
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=NC(Cl)=C1	REAL300024601301	0	34	-1.0	-49.19	337.59	-3.11	-52.30
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CN1C=C(OCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024601303	0	40	-1.0	-54.34	368.86	-2.35	-56.69
COC12CCC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)(CC1)CC2	REAL300024601304	0	50	-1.0	-47.69	401.39	-0.91	-48.60
O=NN1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601305	0	39	-1.0	-54.32	353.79	-3.71	-58.03
O=C(CCCC1=NC=CS1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601306	0	41	-1.0	-51.91	382.83	-1.32	-53.23
CC1=CSC(CCCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024601307	0	44	-1.0	-52.22	404.63	-0.73	-52.95
CCC1CC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601308	0	39	-1.0	-47.60	348.44	-0.80	-48.40
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(C2=CC=NC=C2)=NN1	REAL300024601309	0	42	-1.0	-50.91	387.20	-2.44	-53.35
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NN2CCNC(=O)C2=C1	REAL300024601310	0	41	-1.0	-56.45	375.29	-5.35	-61.80
CS(C)(=O)=NCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601311	0	39	-1.0	-60.56	363.67	-6.31	-66.87
[N-]=[N+]=NCCCCCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601312	0	46	-1.0	-48.97	411.27	-3.24	-52.21
CC(O)(CCC1=CC=CC=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601313	0	49	-1.0	-48.14	423.64	-1.12	-49.26
CC(O)CCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601314	0	42	-1.0	-50.58	369.94	-3.97	-54.55
CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)COC2=CC=CC=C2O1	REAL300024601315	0	45	-1.0	-49.41	396.13	-0.80	-50.21
CC1=NOC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024601316	0	38	-1.0	-53.96	352.08	-1.84	-55.80
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=CN=CC=C1Cl	REAL300024601317	0	38	-1.0	-50.35	364.50	-1.38	-51.73
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1(O)CC1	REAL300024601318	0	37	-1.0	-51.46	336.72	-4.96	-56.42
O=C(CCCCC(F)(F)F)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601319	0	41	-1.0	-48.74	377.76	-0.29	-49.03
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=CC=NNC1=O	REAL300024601320	0	38	-1.0	-57.16	353.73	-4.48	-61.64
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C([N+](=O)[O-])O1	REAL300024601321	0	38	-1.0	-49.24	362.63	-1.27	-50.51
CC1=CC(=O)N(CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024601322	0	44	-1.0	-56.19	396.99	-0.62	-56.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C2CCOCC21	REAL300024601323	0	41	-1.0	-47.60	358.96	-2.10	-49.70
CC1=CN(C(C)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024601324	0	42	-1.0	-52.85	375.75	-1.43	-54.28
CC(C)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)N1C=NN=C1	REAL300024601325	0	44	-1.0	-56.00	379.24	0.40	-55.60
O=C(CCC1=CC=C(F)N=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601326	0	41	-1.0	-51.10	377.81	-1.06	-52.16
O=C(C=CCF)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601327	0	33	-1.0	-49.85	314.89	-2.28	-52.13
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C2CC1(C1=CN=CO1)CC2	REAL300024601328	0	46	-1.0	-51.97	396.42	-1.36	-53.33
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(CC(F)F)CCC1	REAL300024601329	0	42	-1.0	-48.87	366.53	-0.42	-49.29
COC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C2=NC=CN2C=C1	REAL300024601330	0	43	-1.0	-56.53	386.63	1.05	-55.48
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C(F)CC1CC1	REAL300024601331	0	39	-1.0	-48.50	354.82	-0.65	-49.15
CCC(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024601332	0	45	-1.0	-46.93	380.83	0.38	-46.55
CC1=C2N=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2N=C1	REAL300024601333	0	41	-1.0	-49.86	377.04	-1.06	-50.92
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN(C2CCOCC2)C=N1	REAL300024601334	0	47	-1.0	-50.49	409.83	-0.74	-51.23
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024601335	0	44	-1.0	-47.82	385.74	-3.87	-51.69
CN1N=CC=C1C(O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601336	0	40	-1.0	-51.08	361.88	-4.44	-55.52
CC12CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)(CO1)CCC2	REAL300024601337	0	47	-1.0	-47.87	387.68	-1.42	-49.29
CN1N=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C2=C1CCOC2	REAL300024601338	0	44	-1.0	-52.35	387.72	-2.95	-55.30
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC(C2(O)COC2)=C1	REAL300024601339	0	45	-1.0	-52.86	396.38	-3.65	-56.51
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601340	0	44	-1.0	-48.88	402.95	-1.43	-50.31
CC1=CC=CN=C1C=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601341	0	42	-1.0	-49.67	380.08	-0.49	-50.16
CCC(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300024601342	0	48	-1.0	-47.04	394.97	0.85	-46.19
CN1C=CC(C2=NNC=C2C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024601343	0	43	-1.0	-59.80	392.56	-2.59	-62.39
CC1(C)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCS1(=O)=O	REAL300024601344	0	45	-1.0	-56.48	389.85	-3.72	-60.20
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)NC2=CC(C)=CC=C21	REAL300024601345	0	46	-1.0	-48.91	403.27	0.58	-48.33
COCC1=CC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024601346	0	42	-1.0	-55.48	384.98	-2.78	-58.26
CC1=NC(CO)=NC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601347	0	41	-1.0	-51.17	370.22	-5.50	-56.67
CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC(C2CC2)=NO1	REAL300024601348	0	44	-1.0	-48.61	391.05	-1.15	-49.76
CC(C)C1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300024601349	0	45	-1.0	-52.61	393.88	1.24	-51.37
CC(C)(C)C1=CC=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024601350	0	47	-1.0	-48.24	404.54	-0.07	-48.31
COC1C[N@@H+]2CCCC2(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601351	0	50	0.0	-67.86	406.18	-1.65	-69.51
COC1C[N@H+]2CCCC2(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601351	1	50	0.0	-70.95	408.61	-1.32	-72.27
NS(=O)(=O)C1=COC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024601352	0	38	-1.0	-55.33	371.25	-7.81	-63.14
O=C(C=CC1=NC=CN1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601353	0	37	-1.0	-51.10	347.47	-2.56	-53.66
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=CC(C2=COC=C2)=C1	REAL300024601354	0	42	-1.0	-50.59	384.70	-0.90	-51.49
CC(=CC1=CC=C(F)C=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601355	0	43	-1.0	-48.53	384.11	1.13	-47.40
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CC1(C)OC2(CO)CC1(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024601998	0	48	-1.0	-51.63	403.71	-4.59	-56.22
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CC1=CC=C(C)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024602005	0	41	-1.0	-48.34	365.40	-1.14	-49.48
CC1OC2(C)CC1(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024602006	0	44	-1.0	-47.79	380.54	-1.94	-49.73
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CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=NC=C1C(F)F	REAL300024602008	0	41	-1.0	-49.44	377.74	-1.01	-50.45
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CCC1=NON=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602010	0	37	-1.0	-45.38	345.39	-2.72	-48.10
CCC(C)C1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024602011	0	48	-1.0	-53.09	411.76	-0.83	-53.92
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1(CO)CCOCC1	REAL300024602012	0	47	-1.0	-47.36	384.22	-5.11	-52.47
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=NSN=C1	REAL300024602013	0	34	-1.0	-53.89	331.85	-4.01	-57.90
C=CCC(C)(C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602014	0	45	-1.0	-46.72	377.49	-0.03	-46.75
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC(=O)N(C2CC2)C1	REAL300024602015	0	47	-1.0	-52.15	400.78	-1.01	-53.16
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(C#CC2CC2)C=C1	REAL300024602016	0	45	-1.0	-49.49	411.49	3.03	-46.46
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC(C#CC2CC2)=C1	REAL300024602017	0	45	-1.0	-51.68	411.55	3.02	-48.66
COCCCC[N@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602018	0	54	0.0	-77.42	447.49	-0.48	-77.90
COCCCC[N@@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602018	1	54	0.0	-77.42	447.49	-0.48	-77.90
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC(C2=CC=CC=C2)O1	REAL300024602019	0	44	-1.0	-53.85	393.55	0.48	-53.37
CC1C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC2=CC=CC=C21	REAL300024602020	0	44	-1.0	-48.67	387.92	1.76	-46.91
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O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC2=CC=NN2C=C1	REAL300024602022	0	39	-1.0	-51.69	358.00	-0.93	-52.62
COC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC(C)=N1	REAL300024602023	0	42	-1.0	-48.51	379.52	-3.36	-51.87
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CCSC1=NC=CN=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602025	0	41	-1.0	-50.18	382.46	-2.16	-52.34
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NOC(C(F)(F)F)=C1	REAL300024602026	0	35	-1.0	-45.79	350.49	-2.22	-48.01
CC(C)(C)C1=NN=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024602027	0	43	-1.0	-48.32	395.97	-2.12	-50.44
CCC(C)(OC)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602028	0	42	-1.0	-50.63	358.12	-1.80	-52.43
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CC(C)[C@H](O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602035	0	39	-1.0	-47.88	342.23	-3.62	-51.50
CSC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024602036	0	40	-1.0	-45.79	362.30	-0.61	-46.40
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CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCS(=O)(=O)CC1	REAL300024602038	0	45	-1.0	-55.23	385.62	-3.75	-58.98
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=N1	REAL300024602039	0	41	-1.0	-51.15	365.90	-1.40	-52.55
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CC(O)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=N1	REAL300024602041	0	42	-1.0	-50.46	375.97	-3.84	-54.30
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
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COC1=CC=CN=C1C(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602044	0	45	-1.0	-52.44	396.23	-1.67	-54.11
CN1C=CC2=CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)=CC=C21	REAL300024602045	0	43	-1.0	-52.28	384.16	1.06	-51.22
C[NH+](C)C1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024602046	0	48	0.0	-73.88	381.84	-0.09	-73.97
COC1=CC=NC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024602047	0	42	-1.0	-53.04	378.34	-2.34	-55.38
CC(CS(C)=O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602048	0	40	-1.0	-55.16	363.19	-3.50	-58.66
CC(CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024602049	0	47	0.0	-71.64	388.01	-0.56	-72.20
O=C(C=CC1=CC=NC=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602050	0	39	-1.0	-50.16	360.10	-1.26	-51.42
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=CC(F)=N1	REAL300024602051	0	34	-1.0	-47.02	328.96	-4.33	-51.35
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN(C2CC2)N=C1	REAL300024602052	0	40	-1.0	-50.45	365.20	-1.43	-51.88
CC1=CC=CC(COCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024602053	0	46	-1.0	-52.71	411.03	1.03	-51.68
O=C(CCC1=NN=C(C2CC2)O1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602054	0	44	-1.0	-51.99	400.05	-4.65	-56.64
CC(C)C(CO)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602055	0	42	-1.0	-47.29	357.06	-4.00	-51.29
CC(C)CC1=CN=CC=C1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602056	0	50	-1.0	-50.77	422.04	0.52	-50.25
CCOC=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602057	0	37	-1.0	-47.70	341.78	-2.77	-50.47
CC1C2=CNN=C2CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602058	0	46	-1.0	-50.39	390.23	-1.41	-51.80
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=CC2=NNC=C21	REAL300024602059	0	42	-1.0	-52.81	371.87	-1.32	-54.13
CCN1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602060	0	42	0.0	-69.04	355.52	-1.56	-70.60
CC[N@@H+]1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602060	1	42	0.0	-70.08	362.35	-1.26	-71.34
CC[N@H+]1CCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602060	1	42	0.0	-70.08	362.35	-1.26	-71.34
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC(C2=CC=CC=N2)=NO1	REAL300024602061	0	43	-1.0	-54.95	394.79	-1.12	-56.07
CC1=NC(C=CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024602062	0	39	-1.0	-49.62	373.41	-1.61	-51.23
CSC1=CC(C)=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024602063	0	40	-1.0	-46.93	375.85	-0.82	-47.75
O=C(CO)NCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602064	0	40	-1.0	-62.24	366.71	-6.80	-69.04
CCC(O)CN1C=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024602065	0	45	-1.0	-53.81	406.29	-5.28	-59.09
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@H]1CC[C@H](OC(F)F)CC1	REAL300024602066	0	46	-1.0	-49.43	397.98	-1.17	-50.60
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C(CCCO)C1=CC=CC=C1	REAL300024602067	0	49	-1.0	-48.90	425.76	-1.41	-50.31
CS(=O)(=O)SCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602068	0	36	-1.0	-64.00	353.57	-3.78	-67.78
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=CC(Cl)=C1Cl	REAL300024602069	0	35	-1.0	-48.69	353.63	-1.52	-50.21
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN2C=NN=C2C=N1	REAL300024602070	0	37	-1.0	-51.41	348.64	-1.14	-52.55
CC(=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CS1	REAL300024602071	0	40	-1.0	-46.57	373.55	0.35	-46.22
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCS1(=O)=O	REAL300024602072	0	40	-1.0	-58.66	365.83	-4.45	-63.11
CC(C1=CC=CC=C1F)C(O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602073	0	46	-1.0	-50.66	403.87	-0.42	-51.08
O=C(C=CCCC1=CC=CC=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602074	0	46	-1.0	-48.64	411.20	2.17	-46.47
CC1=CC(C)=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)O1	REAL300024602075	0	41	-1.0	-53.79	367.12	0.07	-53.72
CC(C)[N@@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024602076	0	51	0.0	-64.75	403.35	0.70	-64.05
CC(C)[N@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024602076	1	51	0.0	-64.75	403.35	0.70	-64.05
CN1C=CN=C1N1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024602077	0	49	0.0	-64.66	416.82	0.15	-64.51
CN1C=C[NH+]=C1N1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024602077	1	49	0.0	-64.66	416.82	0.15	-64.51
COC1=CC=C(C=CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024602078	0	44	-1.0	-49.93	394.48	-0.20	-50.13
CC1=CC=C2CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024602079	0	43	-1.0	-50.64	382.81	1.18	-49.46
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCCC2=C1N=CS2	REAL300024602080	0	42	-1.0	-48.19	377.68	-0.63	-48.82
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CNN=C1[N+](=O)[O-]	REAL300024602081	0	35	-1.0	-60.62	336.20	-1.69	-62.31
CSCCCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602082	0	42	-1.0	-48.41	382.87	-0.22	-48.63
CC1=NC(=O)NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024602083	0	38	-1.0	-55.06	352.28	-5.22	-60.28
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300024602084	0	51	0.0	-71.53	425.61	1.72	-69.81
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300024602084	1	50	-1.0	-49.22	420.80	-0.62	-49.84
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)N(C)CC1=CC=CC=C1	REAL300024602084	1	50	-1.0	-49.22	420.80	-0.62	-49.84
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1(O)CCCC1	REAL300024602085	0	43	-1.0	-47.47	364.44	-2.66	-50.13
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCCC1O	REAL300024602086	0	40	-1.0	-50.37	348.44	-4.31	-54.68
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1(O)CCCCC1	REAL300024602087	0	46	-1.0	-50.09	382.00	-1.78	-51.87
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(F)=CN=C1Cl	REAL300024602088	0	35	-1.0	-48.99	344.60	-1.96	-50.95
CC(C)C1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024602089	0	42	-1.0	-50.00	374.89	-2.12	-52.12
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C(Cl)C=C1Cl	REAL300024602090	0	35	-1.0	-48.03	355.12	-1.55	-49.58
CCC1=NC(C)=NC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602091	0	43	-1.0	-48.24	377.59	-1.38	-49.62
CC1=C(C)C(C)=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024602092	0	43	-1.0	-49.40	375.16	-1.11	-50.51
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@H+]1CCCC1CO	REAL300024602093	0	46	0.0	-70.57	383.73	-3.73	-74.30
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[N@@H+]1CCCC1CO	REAL300024602093	1	45	-1.0	-51.61	382.76	-6.03	-57.64
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1CCCC1CO	REAL300024602093	1	45	-1.0	-51.61	382.76	-6.03	-57.64
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NN2C=CC=CC2=C1	REAL300024602094	0	39	-1.0	-52.52	361.83	-1.05	-53.57
CCCCSCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602095	0	45	-1.0	-47.19	404.33	0.69	-46.50
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C(O)C1=CC=CC([N+](=O)[O-])=C1	REAL300024602096	0	42	-1.0	-52.85	391.47	-1.31	-54.16
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(OC(F)F)C=N1	REAL300024602097	0	39	-1.0	-50.01	367.01	-2.89	-52.90
CC1=NN(C)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1Cl	REAL300024602098	0	39	-1.0	-49.29	374.64	-1.97	-51.26
CC1=C([N+](=O)[O-])C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=NN1C	REAL300024602099	0	41	-1.0	-56.93	385.43	-1.62	-58.55
CCCC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC(Cl)=N1	REAL300024602100	0	44	-1.0	-47.73	406.36	0.16	-47.57
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NC=C(Cl)N=C1Cl	REAL300024602101	0	34	-1.0	-47.37	352.10	-3.41	-50.78
CCC1=CN=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024602102	0	38	-1.0	-47.34	362.02	-2.00	-49.34
CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C([N+](=O)[O-])=C1	REAL300024602103	0	41	-1.0	-56.39	378.61	1.31	-55.08
CC(C)C1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300024602104	0	45	-1.0	-54.87	396.18	-1.80	-56.67
CCSC1=CC=CC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024602105	0	46	-1.0	-50.90	416.83	1.83	-49.07
CSSCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602106	0	34	-1.0	-50.42	340.02	-0.96	-51.38
CN1C=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(C(F)(F)F)=C1	REAL300024602107	0	40	-1.0	-56.07	377.04	-0.05	-56.12
NC(=O)C(O)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602108	0	37	-1.0	-55.80	342.20	-7.55	-63.35
CCC(C)=C(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602109	0	42	-1.0	-46.78	358.64	-0.34	-47.12
CSC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024602110	0	45	-1.0	-46.77	387.64	-0.27	-47.04
COC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024602111	0	40	-1.0	-45.98	348.50	-2.59	-48.57
CSC1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024602112	0	40	-1.0	-50.89	370.71	0.31	-50.58
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=COC(Cl)=N1	REAL300024602113	0	32	-1.0	-46.90	326.63	-5.58	-52.48
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC2=NC=CC=C2N=C1	REAL300024602114	0	40	-1.0	-52.81	366.84	-2.21	-55.02
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C(Cl)S1	REAL300024602115	0	32	-1.0	-47.18	334.75	-3.04	-50.22
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2(C1)CCCCC2	REAL300024602116	0	49	-1.0	-47.24	401.54	1.18	-46.06
CN1N=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1OC(F)F	REAL300024602117	0	40	-1.0	-52.72	378.21	-4.04	-56.76
CC(C)(O)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602118	0	42	-1.0	-47.89	365.01	-4.24	-52.13
COCCC(C)(C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602119	0	48	-1.0	-47.36	396.23	-1.57	-48.93
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC2(CCC2)CC1	REAL300024602120	0	49	-1.0	-47.10	400.12	1.19	-45.91
CC(C)(C)C(CO)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602121	0	45	-1.0	-47.00	369.00	-3.58	-50.58
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CN2N=CN=C2N1C	REAL300024602122	0	45	-1.0	-50.42	387.82	1.72	-48.70
CS(=O)C1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024602123	0	41	-1.0	-54.72	382.72	-2.12	-56.84
CC1=NC(C)=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024602124	0	43	-1.0	-48.95	385.60	-1.85	-50.80
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C2C=CN=C2NC=C1	REAL300024602125	0	39	-1.0	-53.10	354.97	-1.42	-54.52
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C2C=CNC2=NC=C1	REAL300024602125	1	39	-1.0	-53.10	354.97	-1.42	-54.52
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2CCCC[N@@H+]2C1	REAL300024602126	0	49	0.0	-71.21	398.22	0.47	-70.74
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2CCCC[N@H+]2C1	REAL300024602126	1	49	0.0	-71.21	398.22	0.47	-70.74
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H](O)C1=CC=CC=C1	REAL300024602127	0	40	-1.0	-48.91	363.25	-1.97	-50.88
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(=O)C=CN1	REAL300024602128	0	36	-1.0	-61.54	335.45	-2.95	-64.49
CC1CC(=O)NC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602129	0	40	-1.0	-54.70	358.05	-4.51	-59.21
CC1=CC(O)=CC(=O)N1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602130	0	46	-1.0	-57.32	406.66	-3.38	-60.70
CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=NC2=C1C(=O)NN2	REAL300024602131	0	42	-1.0	-50.74	383.55	-3.88	-54.62
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C(Cl)C([N+](=O)[O-])=NN1	REAL300024602132	0	35	-1.0	-51.57	355.69	-2.09	-53.66
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CSN=C1	REAL300024602133	0	32	-1.0	-49.23	316.43	-3.06	-52.29
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=CC(Cl)=N1	REAL300024602134	0	34	-1.0	-46.61	339.43	-3.87	-50.48
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(Cl)C(F)=C1F	REAL300024602135	0	36	-1.0	-52.85	357.52	-0.07	-52.92
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CN=C1OCCO	REAL300024602136	0	43	-1.0	-56.29	388.78	-4.94	-61.23
C[NH+]1CCC(C)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024602137	0	48	0.0	-70.13	387.98	-0.21	-70.34
CC1=NC=CC(Cl)=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602138	0	38	-1.0	-48.93	364.76	-1.67	-50.60
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(N2C=CC=N2)CC1	REAL300024602139	0	40	-1.0	-47.33	368.40	-1.56	-48.89
CC1(C)CCC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024602140	0	46	-1.0	-47.04	382.39	0.48	-46.56
CCC1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024602141	0	39	-1.0	-50.64	355.88	-2.69	-53.33
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN2C=CN=CC2=N1	REAL300024602142	0	38	-1.0	-50.85	355.84	-1.98	-52.83
COC1=CN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=CC1=O	REAL300024602143	0	46	-1.0	-67.39	406.94	-0.62	-68.01
C[NH+](C)CC1=CNC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024602144	0	46	0.0	-76.02	397.11	-0.96	-76.98
NC(=O)C1=CC=CC(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024602145	0	43	-1.0	-56.53	389.70	-3.25	-59.78
CC(C)(C)C1(C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024602146	0	51	-1.0	-46.98	403.08	0.61	-46.37
CCC1=NNC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024602147	0	38	-1.0	-50.13	351.82	-2.82	-52.95
CCC1=NN=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024602147	1	38	-1.0	-50.13	351.82	-2.82	-52.95
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C(F)(F)C(O)C1CC1	REAL300024602148	0	40	-1.0	-46.65	368.43	-3.30	-49.95
C#CCC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCCO1	REAL300024602149	0	45	-1.0	-46.71	385.74	-0.42	-47.13
C[C@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C2OCOC2=C1	REAL300024609610	0	45	-1.0	-51.53	397.11	-0.81	-52.34
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CC(CO1)CCC2	REAL300024609611	0	44	-1.0	-46.69	366.97	-1.85	-48.54
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC(=O)CC12CCC2	REAL300024609612	0	45	-1.0	-48.89	385.22	-0.36	-49.25
COCC1=NOC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024609613	0	38	-1.0	-50.46	359.73	-6.27	-56.73
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(Cl)=C(F)C=C1O	REAL300024609614	1	37	-1.0	-48.57	361.91	-1.59	-50.16
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1CC(O)C12CCC2	REAL300024609615	0	47	-1.0	-50.63	397.58	-2.68	-53.31
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300024609616	0	39	-1.0	-49.86	364.26	-4.42	-54.28
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCCN1C(=O)CCCC2	REAL300024609617	0	50	-1.0	-50.55	402.02	-0.19	-50.74
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC2CCC(=O)N21	REAL300024609618	0	44	-1.0	-59.19	380.78	-1.96	-61.15
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=NN1C(C)C(C)C	REAL300024609619	0	51	-1.0	-49.58	431.01	0.51	-49.07
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C(F)C1=CCCCC1	REAL300024609620	0	43	-1.0	-48.69	375.17	0.16	-48.53
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(N2C=CC=C2)CCCC1	REAL300024609621	0	47	-1.0	-47.17	394.67	1.51	-45.66
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609622	0	49	0.0	-71.97	409.42	-0.26	-72.23
C[C@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024609623	0	42	-1.0	-49.40	377.48	0.59	-48.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2(CC(F)C2)C1	REAL300024609624	0	43	-1.0	-48.45	377.33	0.21	-48.24
CC1=CC2=CC=CN=C2C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609625	0	44	-1.0	-55.47	390.96	0.77	-54.70
CC1=NC=NC2=C1CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024609626	0	47	-1.0	-50.42	401.31	0.17	-50.25
CCN1N=CN=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609627	0	38	-1.0	-47.48	348.41	-1.42	-48.90
CC1=CC(N)=C(C)N=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609628	0	43	-1.0	-49.50	376.81	-3.15	-52.65
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C2NC(=O)NCC2=C1	REAL300024609629	0	43	-1.0	-53.05	384.80	-3.63	-56.68
CN1C=NC(CC(O)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609630	0	43	-1.0	-53.10	388.72	-2.08	-55.18
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCCC1C2(F)F	REAL300024609631	0	40	-1.0	-50.49	359.91	-0.29	-50.78
NC1=CC(O)=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1Cl	REAL300024609632	0	39	-1.0	-50.36	366.76	-5.10	-55.46
CCOC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024609633	0	46	-1.0	-49.94	382.03	-0.23	-50.17
CC1(C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024609634	0	46	-1.0	-48.64	382.14	-1.72	-50.36
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C(F)(F)C1CC1	REAL300024609635	0	36	-1.0	-45.74	336.00	-1.34	-47.08
CC(=O)OC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609636	0	39	-1.0	-53.56	358.79	-0.92	-54.48
CN1N=CC2=CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)=CC(O)=C21	REAL300024609637	0	43	-1.0	-51.96	387.78	-3.50	-55.46
CCOC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N=C(C)O1	REAL300024609638	0	42	-1.0	-51.10	385.48	-3.58	-54.68
N#CC1=CC=C(C2(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)CC2)C=C1	REAL300024609639	0	44	-1.0	-51.31	402.32	1.39	-49.92
CCCCC[C@H](O)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609640	0	48	-1.0	-50.87	411.80	-1.52	-52.39
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C2CCCCC2=C1	REAL300024609641	0	45	-1.0	-48.84	388.51	-0.03	-48.87
CC(=O)OC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024609642	0	38	-1.0	-49.82	364.84	-0.87	-50.69
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C(F)C(F)=NC(F)=C1F	REAL300024609643	0	35	-1.0	-46.33	354.47	-2.63	-48.96
CC1=CC=C(C2=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C=NO2)O1	REAL300024609644	0	42	-1.0	-51.31	387.00	0.53	-50.78
O=C(COCCO)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609645	0	37	-1.0	-54.11	341.08	-5.82	-59.93
CC(=O)C1=CN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024609646	0	40	-1.0	-58.15	376.08	-3.53	-61.68
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C(Cl)C(C2CC2)=C1	REAL300024609647	0	42	-1.0	-48.13	389.26	-0.06	-48.19
CC1(C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300024609648	0	40	-1.0	-47.36	360.89	-2.78	-50.14
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NC=C(F)C=N1	REAL300024609649	0	34	-1.0	-49.63	329.78	-3.16	-52.79
CC(C)(CF)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609650	0	38	-1.0	-46.55	338.57	-1.69	-48.24
CC(C)[C@@H](O)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609651	0	42	-1.0	-50.44	361.74	-3.13	-53.57
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C2SC=CC2=C1	REAL300024609652	0	38	-1.0	-50.09	362.47	-1.23	-51.32
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C([N+](=O)[O-])C=NN1	REAL300024609653	0	35	-1.0	-53.56	336.10	-2.59	-56.15
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NNC=C1[N+](=O)[O-]	REAL300024609653	1	35	-1.0	-56.87	337.13	-2.64	-59.51
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(F)C(O)=C1	REAL300024609654	0	37	-1.0	-50.52	347.75	-3.48	-54.00
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)C1CC(=O)N(C2CC2)C1	REAL300024609655	0	44	-1.0	-52.46	384.29	-1.53	-53.99
C=CCNC1=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024609656	0	41	-1.0	-47.73	389.74	-2.27	-50.00
CC(C)(CO)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609657	0	39	-1.0	-47.63	342.92	-4.98	-52.61
O=C(CSCC1=CC=CS1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609658	0	40	-1.0	-51.26	389.80	0.43	-50.83
[NH2+]=C1SC=CN1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609659	0	38	0.0	-67.66	357.79	-2.11	-69.77
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=CC=C2OCOC2=C1	REAL300024609660	0	42	-1.0	-53.48	381.22	-1.36	-54.84
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1CSCC1=O	REAL300024609661	0	38	-1.0	-54.36	359.43	-2.65	-57.01
CC1=CC(C)=CC(NCCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609662	0	50	-1.0	-50.31	432.98	0.22	-50.09
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC(CO)=C1	REAL300024609663	0	40	-1.0	-51.42	363.34	-3.39	-54.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C(O)C2=NC=CC=C2C=C1	REAL300024609664	0	42	-1.0	-55.65	380.13	-1.68	-57.33
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
C=CCC(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609665	0	39	-1.0	-47.28	347.31	-1.10	-48.38
CC(OC1=CC=C(C#N)C=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609666	0	44	-1.0	-53.73	401.51	0.89	-52.84
CC1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024609667	0	41	-1.0	-47.41	359.35	-1.74	-49.15
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=C2NCCCC2=C1	REAL300024609669	0	45	-1.0	-49.95	388.35	-0.72	-50.67
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609670	0	43	-1.0	-50.19	388.38	-0.88	-51.07
CSCC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609671	0	40	-1.0	-48.90	381.39	-0.65	-49.55
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
CC1=CC=CC(N)=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609673	0	41	-1.0	-48.23	367.13	-2.42	-50.65
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C(F)(F)C(F)(F)F	REAL300024609674	0	32	-1.0	-45.50	324.63	-2.41	-47.91
O=C(CSC1=NNC(=O)[N-]1)NCC[N-]C(=O)C(F)(F)C(F)(F)F	REAL300024609674	1	31	-2.0	-79.40	322.25	-3.95	-83.35
CCSC1=CC=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609675	0	43	-1.0	-50.31	387.71	1.14	-49.17
COC1=CC=C(O)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609676	0	41	-1.0	-50.55	368.82	-2.88	-53.43
CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1C	REAL300024609677	0	43	-1.0	-50.54	376.38	-0.92	-51.46
N#CC(=CC1=CC=C(F)C=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609678	0	41	-1.0	-49.70	387.05	0.64	-49.06
CC(NC(=O)C1=CC=CO1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609679	0	43	-1.0	-51.41	393.28	-3.36	-54.77
NC(=O)NC(CO)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609680	0	39	-1.0	-52.35	357.20	-10.56	-62.91
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(O)C=C1O	REAL300024609681	0	38	-1.0	-51.73	350.33	-4.99	-56.72
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CSC1=CC=CC=C1	REAL300024609682	0	40	-1.0	-50.48	373.67	0.44	-50.04
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC1(Cl)Cl	REAL300024609683	0	33	-1.0	-47.65	338.66	-1.22	-48.87
CC(C)(C)SCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609684	0	42	-1.0	-49.57	374.53	-0.59	-50.16
CC1=CC=C(C=C(C#N)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024609685	0	44	-1.0	-49.00	401.92	1.22	-47.78
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(Cl)C=C1O	REAL300024609686	0	37	-1.0	-49.46	356.08	-1.65	-51.11
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300024609686	1	36	-2.0	-96.31	352.52	-0.64	-96.95
CC1=C(C)C(C)=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1C	REAL300024609687	0	51	-1.0	-48.86	420.45	1.72	-47.14
COC(=O)NC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024609688	0	44	-1.0	-53.81	397.60	-2.49	-56.30
O=C(COC1=CC=C([N+](=O)[O-])C=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609689	0	42	-1.0	-55.23	392.27	0.53	-54.70
CC1=CC=C(CSCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024609690	0	46	-1.0	-51.38	420.98	2.02	-49.36
CC1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024609691	0	40	-1.0	-48.85	360.22	-0.67	-49.52
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CSC1=CC=CC=C1O	REAL300024609692	0	41	-1.0	-52.59	383.89	-2.38	-54.97
N#CCC1=CC=CC=C1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609693	0	43	-1.0	-51.20	391.72	0.85	-50.35
CC(O)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024609694	0	43	-1.0	-48.14	384.49	-2.42	-50.56
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(O)CCSC1	REAL300024609695	0	38	-1.0	-49.31	346.09	-4.42	-53.73
COC(=O)C1=CC=CC=C1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609696	0	45	-1.0	-51.96	402.61	0.33	-51.63
CC(=O)C1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024609697	0	41	-1.0	-57.50	377.77	-0.15	-57.65
CC(C)CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300024609698	0	48	-1.0	-55.27	416.24	-0.79	-56.06
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[C@H](O)C1=CC=CC=C1	REAL300024609699	0	43	-1.0	-50.95	383.25	-1.48	-52.43
CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)COC(=O)OC1	REAL300024609700	0	40	-1.0	-56.79	357.87	-1.69	-58.48
O=C(CCSCC1=CC=CC=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609701	0	46	-1.0	-48.47	421.24	2.15	-46.32
CSC1=CC=CC=C1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609702	0	43	-1.0	-49.92	392.62	0.87	-49.05
COC1=CC=C(F)C(N)=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609703	0	42	-1.0	-49.93	382.25	-3.52	-53.45
NC1=CC=CC(C(O)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609704	0	42	-1.0	-49.23	378.33	-4.10	-53.33
O=C(C=CC1=CC=C(O)C(O)=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609705	0	42	-1.0	-52.84	386.78	-4.42	-57.26
CC1=CC(C)=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(N)=C1	REAL300024609706	0	44	-1.0	-48.30	388.51	-1.76	-50.06
COC1=CC(N(C)C)=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609707	0	48	-1.0	-52.77	409.03	0.27	-52.50
CNC(=O)N1CCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609708	0	45	-1.0	-58.42	388.37	-2.39	-60.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(O)=CC(=O)N1	REAL300024609709	0	37	-1.0	-52.83	346.02	-6.52	-59.35
COC(=O)C1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024609710	0	42	-1.0	-51.47	389.81	0.00	-51.47
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC2=NSN=C2C=C1	REAL300024609711	0	37	-1.0	-51.41	354.62	-2.35	-53.76
COC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC(OC)=C1O	REAL300024609712	0	45	-1.0	-51.22	399.89	-3.65	-54.87
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC(O)C1=CC=CC=C1	REAL300024609713	0	43	-1.0	-50.95	383.25	-1.48	-52.43
N#CC1=NN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024609714	0	36	-1.0	-60.94	351.48	-1.74	-62.68
CC1CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCC1=O	REAL300024609715	0	44	-1.0	-51.96	378.65	-0.68	-52.64
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609716	0	44	-1.0	-49.38	393.36	1.37	-48.01
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(O)CCCCCC1	REAL300024609717	0	46	-1.0	-47.88	373.88	-2.69	-50.57
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300024609718	0	38	-2.0	-83.61	366.16	-2.13	-85.74
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(O)=CC([N+](=O)[O-])=C1	REAL300024609718	1	39	-1.0	-53.07	369.73	-2.90	-55.97
NC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=CN=C1Cl	REAL300024609719	0	37	-1.0	-48.72	350.75	-3.79	-52.51
COC(=O)C1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609720	0	39	-1.0	-48.23	371.72	-1.86	-50.09
CNC(=O)N1CCC[C@@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609721	0	45	-1.0	-57.81	391.20	-3.55	-61.36
CC1=NC(N)=C(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024609722	0	43	-1.0	-58.71	386.93	-4.48	-63.19
N#CCC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024609723	0	43	-1.0	-51.21	387.06	1.15	-50.06
CC1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609724	0	42	-1.0	-47.34	358.88	-0.50	-47.84
CC1CCC(O)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609725	0	46	-1.0	-47.91	384.25	-2.77	-50.68
CC1CCC(C)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609726	0	45	-1.0	-47.36	376.47	0.05	-47.31
CC1=CC(O)=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609727	0	40	-1.0	-48.99	357.56	-2.87	-51.86
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)SC2=CN=CN21	REAL300024609728	0	39	-1.0	-48.44	367.57	0.29	-48.15
CC1(C)CCC(O)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609729	0	49	-1.0	-47.77	397.38	-2.47	-50.24
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=CC=C(O)C(O)=C1	REAL300024609730	0	41	-1.0	-54.56	376.92	-4.96	-59.52
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(O)=CC(O)=C1	REAL300024609731	0	38	-1.0	-51.15	352.57	-6.41	-57.56
NC1=CC(F)=C(O)C=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609732	0	39	-1.0	-48.24	357.53	-5.30	-53.54
CC(C)(C)C1CCC(=CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609733	0	55	-1.0	-46.63	434.54	2.12	-44.51
COC(=O)C1=C(C)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C(C)N1	REAL300024609734	0	46	-1.0	-52.12	415.12	-1.28	-53.40
O=C(CCC(=O)C1=CC=CN1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609735	0	42	-1.0	-50.29	383.00	-1.61	-51.90
CCOC(=O)C(CC)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609736	0	44	-1.0	-53.45	384.32	0.31	-53.14
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CN2N=NN=C2N1C	REAL300024609737	0	44	-1.0	-50.97	383.14	-0.68	-51.65
CN1C=NC=C1C(=O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609738	0	38	-1.0	-50.04	350.60	-1.75	-51.79
CC1=CC=C(C(C)CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300024609739	0	49	-1.0	-49.53	420.81	-0.88	-50.41
CC1=C(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300024609740	0	39	-1.0	-49.22	364.53	-0.33	-49.55
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C(F)(F)CC1=CC=CC=C1	REAL300024609741	0	42	-1.0	-46.59	386.79	0.89	-45.70
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@H]1C[C@@H](C2=CC=C(O)C=C2)C1	REAL300024609742	0	47	-1.0	-50.94	409.81	-1.08	-52.02
CNC1=NC(C)=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024609743	0	42	-1.0	-48.44	381.58	-1.53	-49.97
CC1=CC(Cl)=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609744	0	38	-1.0	-47.82	366.11	-1.32	-49.14
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C(C#N)O1	REAL300024609745	0	37	-1.0	-48.54	352.71	-1.41	-49.95
CCC(C)CCC(O)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609746	0	51	-1.0	-50.78	426.10	-1.14	-51.92
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC2=CC(F)=CC=C21	REAL300024609747	0	42	-1.0	-50.03	378.43	1.63	-48.40
CN(C)C1=CC(C#N)=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609748	0	45	-1.0	-49.95	402.81	0.07	-49.88
CCC1=C(C(=O)OC)C=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609749	0	45	-1.0	-48.69	411.08	-0.49	-49.18
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN2N=CN=C2N=C1	REAL300024609750	0	37	-1.0	-54.23	347.42	0.30	-53.93
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2=CSC=C2C1	REAL300024609751	0	40	-1.0	-48.14	367.62	-0.02	-48.16
CCNC1=CN=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609752	0	43	-1.0	-48.88	382.10	-2.89	-51.77
CC1=NC(C#N)=C(NCCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609753	0	44	-1.0	-54.00	410.80	-5.67	-59.67
CCOC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=CS1	REAL300024609754	0	40	-1.0	-51.82	373.56	-0.39	-52.21
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C2C3CC1CC32	REAL300024609755	0	41	-1.0	-48.09	352.70	-0.09	-48.18
CC(C)(C)C1=CC=CN=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609756	0	47	-1.0	-47.50	388.16	-0.28	-47.78
CC1=C(C2CC2)ON=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609757	0	42	-1.0	-47.96	380.42	-0.41	-48.37
CN1C([N+](=O)[O-])=CN=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609758	0	38	-1.0	-47.02	358.00	-0.79	-47.81
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC2=C1NC(=O)CC2	REAL300024609759	0	44	-1.0	-55.53	385.39	-1.12	-56.65
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H](O)C1CCCC1	REAL300024609760	0	43	-1.0	-47.66	366.44	-2.23	-49.89
CC1(C)CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609761	0	51	-1.0	-46.64	396.83	0.82	-45.82
CC1=NN2C(=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C=CC=C2C	REAL300024609762	0	45	-1.0	-53.50	404.83	0.13	-53.37
COC(=O)[C@@H]1[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024609763	0	45	-1.0	-52.30	392.13	-0.45	-52.75
COCC(C)(O)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609764	0	43	-1.0	-52.80	374.43	-4.54	-57.34
CC1(C)CCCC(O)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609765	0	52	-1.0	-47.93	410.63	-1.54	-49.47
C[C@]1(C(F)(F)F)C[C@@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609766	0	39	-1.0	-46.84	358.42	-0.72	-47.56
CC(CC1=CC=NC=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609767	0	44	-1.0	-48.92	386.89	-0.50	-49.42
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C2C(Cl)=CC=CN12	REAL300024609768	0	39	-1.0	-52.42	372.74	0.08	-52.34
CCOC(=O)[C@H]1C[C@@](F)(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609769	0	45	-1.0	-50.31	405.02	-0.13	-50.44
COC1CC(CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609770	0	46	-1.0	-50.01	398.33	-1.21	-51.22
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C2COCCC2=C1	REAL300024609771	0	43	-1.0	-49.45	379.48	-2.44	-51.89
CC(F)(F)[C@@H]1C[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609772	0	39	-1.0	-47.68	359.13	-0.69	-48.37
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CN(C2CCC2)C1=O	REAL300024609773	0	46	-1.0	-55.90	396.72	0.26	-55.64
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NN=C2C=CC=CN21	REAL300024609774	0	38	-1.0	-53.79	352.97	-0.43	-54.22
N#CC1=CC=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609775	0	36	-1.0	-50.62	348.64	-2.02	-52.64
COCCN1C=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024609777	0	46	-1.0	-60.10	405.98	-1.05	-61.15
CC1=CN2C(=NC(C)=C2C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024609778	0	42	-1.0	-50.59	385.37	0.34	-50.25
NC1=NC=CN2N=CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)=C12	REAL300024609779	0	40	-1.0	-51.09	364.93	-3.74	-54.83
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CC(C(F)(F)F)(C1)CO2	REAL300024609780	0	41	-1.0	-46.50	380.15	-2.14	-48.64
C[C@@H](OCC[NH+](C)C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609781	0	48	0.0	-70.17	406.39	-0.54	-70.71
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C2OC(=O)OC2=C1	REAL300024609782	0	38	-1.0	-52.68	358.25	-0.15	-52.83
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(OC2=CC=C(F)C=C2)CC1	REAL300024609783	0	44	-1.0	-46.97	396.15	0.37	-46.60
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC2(CO1)CCOCC2	REAL300024609784	0	48	-1.0	-51.78	399.99	-1.96	-53.74
CNC(=O)NC(C)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609785	0	41	-1.0	-51.05	368.22	-5.81	-56.86
C[NH+]1CCC(O)(C2(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024609786	0	53	0.0	-69.56	421.26	-1.36	-70.92
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCOC2(CCCCC2)C1	REAL300024609787	0	53	-1.0	-48.33	421.81	0.30	-48.03
CCC1=CN2CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)CCC2=N1	REAL300024609788	0	49	-1.0	-51.67	418.57	0.77	-50.90
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12COC(C1)CCO2	REAL300024609789	0	42	-1.0	-47.16	358.16	-4.15	-51.31
CCN1C=NN=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609790	0	38	-1.0	-51.25	348.76	-0.72	-51.97
CC(C)(C)C1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1O	REAL300024609791	0	49	-1.0	-49.52	411.18	-0.78	-50.30
COC1=CC=C(C(N)=O)C=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609792	0	44	-1.0	-57.23	392.23	-3.34	-60.57
CCC(=CC1=CC=CC=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609793	0	46	-1.0	-48.01	395.23	1.67	-46.34
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(C2CCC2)CC1	REAL300024609794	0	43	-1.0	-48.04	365.34	0.25	-47.79
CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1C(C)(C)C	REAL300024609795	0	51	-1.0	-49.08	416.14	1.91	-47.17
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C2C(=C1)C=NNC2=O	REAL300024609796	0	41	-1.0	-52.89	377.11	-2.95	-55.84
CC(C1CC1)N1CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1=O	REAL300024609797	0	50	-1.0	-54.53	421.21	-0.11	-54.64
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21	REAL300024609798	0	40	-1.0	-47.67	348.15	-0.50	-48.17
CC1(C)C(C)(C)C1(F)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609799	0	45	-1.0	-47.22	380.11	0.14	-47.08
C[C@H]1C(=O)N(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[C@H]1C	REAL300024609800	0	45	-1.0	-54.46	396.45	-1.95	-56.41
CC(C)[C@@H]1CCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609801	0	48	-1.0	-47.36	395.15	0.73	-46.63
COC(=O)C1=CSC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609802	0	39	-1.0	-53.22	378.58	-1.05	-54.27
CC(C)CC1=NC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024609803	0	46	-1.0	-47.38	405.37	-0.68	-48.06
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=COC(CN2C=CC=N2)=C1	REAL300024609804	0	43	-1.0	-56.44	398.19	-0.89	-57.33
CCOC(=O)C1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024609805	0	43	-1.0	-48.25	389.81	-2.84	-51.09
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1CC2(CCCC2)CO1	REAL300024609806	0	50	-1.0	-50.46	412.53	0.21	-50.25
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC2(CCOCC2)O1	REAL300024609807	0	48	-1.0	-52.00	403.64	-1.56	-53.56
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NN(CCF)C=C1	REAL300024609808	0	39	-1.0	-50.91	364.05	-1.93	-52.84
COC(=O)C1=C(C)C=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609809	0	42	-1.0	-48.00	389.56	-1.28	-49.28
CNC1=CN=C(C(C)C)N=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609810	0	48	-1.0	-47.33	416.18	-2.29	-49.62
COC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCC(F)(F)CC1	REAL300024609811	0	46	-1.0	-46.22	387.20	-1.51	-47.73
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC2=NNC=C2N=C1	REAL300024609812	0	38	-1.0	-54.11	350.86	-3.74	-57.85
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(C2=NC=CN2)N=C1	REAL300024609813	0	42	-1.0	-52.04	386.04	-2.05	-54.09
CC1CCC(C(=O)CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609814	0	53	-1.0	-47.86	435.68	1.52	-46.34
NC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N=CC2=CC=CC=C21	REAL300024609815	0	43	-1.0	-49.66	380.49	-1.84	-51.50
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1	REAL300024609816	0	44	-1.0	-50.98	394.07	-1.53	-52.51
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1(NC2=CC=CC=C2)CC1	REAL300024609817	0	45	-1.0	-47.05	395.98	-0.31	-47.36
COC1=CC=C(F)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024609818	0	42	-1.0	-50.07	382.21	-3.50	-53.57
CC(=CC1=CC=CC=N1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609819	0	42	-1.0	-49.12	374.09	0.36	-48.76
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC=C1C1=NC=CN1	REAL300024609820	0	43	-1.0	-55.96	387.46	0.27	-55.69
CC(C)C1=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CO1	REAL300024609821	0	41	-1.0	-47.95	373.83	-4.00	-51.95
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CON=C1C1CCCO1	REAL300024609822	0	43	-1.0	-53.48	384.65	-2.44	-55.92
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=CSC(Cl)=C1	REAL300024609823	0	36	-1.0	-49.31	362.17	-0.47	-49.78
CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC(F)C1	REAL300024609824	0	39	-1.0	-51.10	343.90	-1.13	-52.23
CCC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024609825	0	40	-1.0	-49.15	361.04	-1.60	-50.75
O=C(COCC1=NC(C2CC2)=NO1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609826	0	45	-1.0	-57.98	412.59	-2.53	-60.51
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024609827	0	34	-2.0	-82.72	334.74	-8.61	-91.33
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024609827	1	34	-2.0	-82.72	334.74	-8.61	-91.33
CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC(N)=C1Cl	REAL300024609828	0	41	-1.0	-48.15	378.63	-1.67	-49.82
CCC1=CC=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609829	0	41	-1.0	-48.57	370.72	-0.98	-49.55
CC1=CC=CC2=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)N=CC=C12	REAL300024609830	0	44	-1.0	-49.71	386.57	0.36	-49.35
COC(=O)C1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024609831	0	45	-1.0	-52.74	395.45	0.49	-52.25
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609832	0	47	-1.0	-52.02	409.06	-1.71	-53.73
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C1CCCCC1	REAL300024609833	0	54	-1.0	-46.88	422.26	1.73	-45.15
CC(C)C1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024609834	0	49	-1.0	-49.74	405.20	-1.75	-51.49
O=C(C#CC1CCCO1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609835	0	39	-1.0	-49.27	359.30	-2.07	-51.34
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300024609836	0	43	-1.0	-50.51	372.98	0.27	-50.24
C=CCC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC=CC1	REAL300024609837	0	44	-1.0	-47.87	380.49	0.51	-47.36
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12COC(C1)CCC2	REAL300024609838	0	44	-1.0	-47.72	365.90	-2.04	-49.76
CC1OCCC1(F)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609839	0	40	-1.0	-46.95	350.48	-2.58	-49.53
O=C(C=CC1=CC=CC=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609840	0	42	-1.0	-47.59	387.07	0.41	-47.18
CC(C)(NC1=CC=CC=N1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609841	0	46	-1.0	-47.77	393.61	-1.61	-49.38
CC1(C)OCC2=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)NN=C21	REAL300024609842	0	44	-1.0	-49.64	389.79	-3.62	-53.26
NC(=O)C1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1Cl	REAL300024609843	0	40	-1.0	-56.33	377.50	-3.40	-59.73
CC(F)(F)C1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024609844	0	46	-1.0	-46.20	384.22	-1.69	-47.89
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=CO1)CC2	REAL300024609845	0	47	-1.0	-47.20	402.07	1.05	-46.15
CC1=NC=C(CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024609846	0	41	-1.0	-49.43	383.25	-1.28	-50.71
CCC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N=CS1	REAL300024609847	0	38	-1.0	-48.22	356.30	-2.13	-50.35
CN1N=CC2=C1SC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)=C2	REAL300024609848	0	39	-1.0	-49.88	372.22	-1.61	-51.49
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300024609849	0	43	-1.0	-50.76	391.98	1.53	-49.23
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C2NC(=O)CNC2=C1	REAL300024609850	0	42	-1.0	-51.97	380.60	-4.98	-56.95
CC1=CC=CC(SCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609851	0	43	-1.0	-50.59	395.08	1.10	-49.49
CC1=CC=CC(C(O)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609852	0	43	-1.0	-48.60	384.15	-1.28	-49.88
CC1(C)C2=CC=CC=C2NC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609853	0	48	-1.0	-49.76	409.30	-0.10	-49.86
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1C=C2N=CC=CC2=N1	REAL300024609854	0	41	-1.0	-60.36	376.96	-2.22	-62.58
O=C(COCCC1=CC=CS1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609856	0	43	-1.0	-51.02	401.35	0.23	-50.79
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC2CC(=O)NC2C1	REAL300024609857	0	47	-1.0	-53.71	396.96	-3.16	-56.87
CC(C)C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)N1N=CC(N)=N1	REAL300024609858	0	46	-1.0	-50.87	405.96	-3.55	-54.42
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609859	0	39	-1.0	-51.34	385.14	0.41	-50.93
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C(F)(F)C1=CN=CS1	REAL300024609860	0	35	-1.0	-48.09	351.19	-2.63	-50.72
CC1(C)CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1C(F)(F)F	REAL300024609861	0	45	-1.0	-48.38	393.53	0.13	-48.25
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CSC(Cl)=C1Cl	REAL300024609862	0	33	-1.0	-50.20	351.85	-0.67	-50.87
CC1(C)C2CCC1(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024609863	0	52	-1.0	-47.01	409.70	1.30	-45.71
CC(F)(F)C1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609864	0	42	-1.0	-50.60	383.71	0.81	-49.79
CN(C)N=NC1=CC=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609865	0	46	-1.0	-53.99	410.69	-1.09	-55.08
CC1=CC=C([N+](=O)[O-])C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609866	0	41	-1.0	-56.86	376.25	1.64	-55.22
CC(=O)NC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024609867	0	45	-1.0	-48.56	385.68	-3.10	-51.66
NC1=CC=C(F)C=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609868	0	38	-1.0	-47.10	347.25	-2.42	-49.52
N#CCSC1=CC=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609869	0	41	-1.0	-54.87	387.06	0.89	-53.98
CC1=CC=CC(CSCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609870	0	46	-1.0	-51.32	420.98	2.01	-49.31
O=C(CCC1=CC=CC=C1O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609871	0	43	-1.0	-49.04	386.39	-2.01	-51.05
CC(C)(O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609872	0	36	-1.0	-46.75	325.62	-5.58	-52.33
CC1=CC=CC=C1NCCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609873	0	47	-1.0	-50.11	407.98	-0.31	-50.42
CS(=O)(=O)N1CCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609874	0	44	-1.0	-61.56	395.22	-4.22	-65.78
CC1=CC=C(O)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609875	0	40	-1.0	-50.20	360.76	-1.49	-51.69
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CC3CC(CC(O)(C3)C1)C2	REAL300024609876	0	51	-1.0	-50.68	406.06	-2.12	-52.80
NC1=CC=C(C(=O)NCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024609877	0	45	-1.0	-51.84	404.45	-4.34	-56.18
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300024609878	0	38	-2.0	-99.34	360.17	-3.73	-103.07
CSC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024609879	0	39	-1.0	-50.26	369.20	-1.30	-51.56
O=C(CC[NH+]1CCCCCC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609880	0	51	0.0	-74.10	404.74	0.34	-73.76
CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C2C(=O)NNC2=N1	REAL300024609881	0	42	-1.0	-58.50	379.08	-2.50	-61.00
CC1=NN(CCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024609882	0	44	-1.0	-52.35	395.02	-0.91	-53.26
NC1=CC=C2OC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)=CC2=C1	REAL300024609883	0	41	-1.0	-49.35	376.95	-2.45	-51.80
N#CCC1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609884	0	40	-1.0	-54.54	372.77	0.46	-54.08
CC1=NC([N+](=O)[O-])=CN1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609885	0	44	-1.0	-57.30	407.26	0.97	-56.33
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCCCC1	REAL300024609886	0	44	-1.0	-48.20	370.55	-2.58	-50.78
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1CCCCC1	REAL300024609886	1	44	-1.0	-48.20	370.55	-2.58	-50.78
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1C=CC([N+](=O)[O-])=N1	REAL300024609887	0	38	-1.0	-63.51	365.81	-0.92	-64.43
C[N@@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609888	0	45	0.0	-71.98	375.29	-0.67	-72.65
C[N@H+]1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609888	1	45	0.0	-71.98	375.29	-0.67	-72.65
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(Cl)=C([N+](=O)[O-])N1	REAL300024609889	0	36	-1.0	-48.73	362.42	-0.84	-49.57
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCC(CO)CC1	REAL300024609890	0	48	-1.0	-49.49	402.66	-5.28	-54.77
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1CCC(CO)CC1	REAL300024609890	1	48	-1.0	-49.49	402.66	-5.28	-54.77
O=C(CCN1C=C([N+](=O)[O-])C=N1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609891	0	41	-1.0	-51.93	387.72	-1.33	-53.26
CSC1=CC(F)=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609892	0	40	-1.0	-49.10	372.62	0.36	-48.74
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=NN1CCC#N	REAL300024609893	0	43	-1.0	-53.39	393.76	-1.12	-54.51
CC(C)=C(Br)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609894	0	36	-1.0	-45.69	339.63	-1.13	-46.82
COC(=O)C1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024609895	0	41	-1.0	-49.95	383.49	-1.81	-51.76
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCCCCC1	REAL300024609896	0	48	0.0	-70.69	381.79	-0.23	-70.92
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)N1CCOCC1	REAL300024609897	0	45	-1.0	-48.55	373.55	-4.71	-53.26
COC(=O)C1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609898	0	48	-1.0	-53.86	410.97	0.18	-53.68
O=C(CCNC1=CC=CC=N1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609899	0	43	-1.0	-50.70	384.96	-2.00	-52.70
CC1=CN=C(F)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609900	0	38	-1.0	-53.71	351.53	-1.87	-55.58
CCCC1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024609901	0	41	-1.0	-48.82	381.86	-1.31	-50.13
CCC1=NNC(CC)=C1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609902	0	48	-1.0	-51.99	413.21	-1.13	-53.12
CN1C=C[N+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609903	0	40	0.0	-69.31	361.95	1.22	-68.09
COC(=O)[C@H]1C[C@@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609904	0	42	-1.0	-54.37	376.65	-1.08	-55.45
COC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC(N)=C1OC	REAL300024609905	0	46	-1.0	-50.77	407.04	-3.43	-54.20
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CNC1=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024609907	0	37	-1.0	-48.52	355.44	-3.64	-52.16
NC1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300024609908	0	38	-1.0	-52.61	349.22	-2.73	-55.34
CC1=NC=CN=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609909	0	37	-1.0	-48.72	338.81	-3.64	-52.36
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CSC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609911	0	37	-1.0	-46.20	348.92	-1.18	-47.38
CC1=CC(Cl)=CC(C)=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609912	0	42	-1.0	-47.04	389.98	0.72	-46.32
CC1=CC=CC2=CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)=CN=C12	REAL300024609913	0	44	-1.0	-50.29	391.92	0.51	-49.78
CN1C=C(C=C(C#N)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024609914	0	41	-1.0	-50.30	381.67	-1.56	-51.86
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(C(F)F)=NO1	REAL300024609915	0	35	-1.0	-47.43	344.34	-2.45	-49.88
CC(=O)C1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CO1	REAL300024609916	0	38	-1.0	-54.95	357.68	-2.11	-57.06
COC(=O)C1=CN=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609917	0	41	-1.0	-54.31	378.88	-1.12	-55.43
CC(=O)C1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C(C)N=C1C	REAL300024609918	0	46	-1.0	-50.95	400.92	-0.68	-51.63
COC(=O)CC1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609919	0	45	-1.0	-53.68	407.48	0.73	-52.95
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NOCC1	REAL300024609920	0	34	-1.0	-47.62	319.18	-4.16	-51.78
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COC1=CC=CC(C)=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609922	0	43	-1.0	-50.87	382.97	-0.96	-51.83
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN(C2CC2)N=N1	REAL300024609923	0	39	-1.0	-50.29	361.42	-2.86	-53.15
O=C(COC1=NOC=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609924	0	36	-1.0	-53.02	341.96	-4.02	-57.04
COC(=O)CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=CO1	REAL300024609925	0	45	-1.0	-55.20	414.59	-0.49	-55.69
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609926	0	54	0.0	-73.34	420.72	0.84	-72.50
C[N@H+]1CCCC(C(C)(C)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609926	1	54	0.0	-73.34	420.72	0.84	-72.50
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C(O)C2=CC=CC=C2C=N1	REAL300024609927	0	41	-2.0	-101.92	378.28	-0.53	-102.45
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CCC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCC(O)CC1	REAL300024609929	0	49	-1.0	-48.02	394.54	-2.80	-50.82
CC1=COC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024609930	0	39	-1.0	-48.19	354.02	-1.34	-49.53
CC1=CSC(C(C)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024609931	0	41	-1.0	-50.15	379.17	-1.72	-51.87
CN(C)CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609932	0	45	0.0	-77.59	395.30	-0.48	-78.07
C[NH+](C)CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024609932	1	45	0.0	-77.59	395.30	-0.48	-78.07
CCOC(=O)CC(C)(C)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609933	0	50	-1.0	-52.54	416.36	0.31	-52.23
CC(SC1=CC=C(N)C=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609934	0	45	-1.0	-50.45	407.30	-1.23	-51.68
COC1=CC(C)=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024609935	0	45	-1.0	-48.52	390.89	-2.45	-50.97
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CN1C=NC2=C(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)C=CC=C21	REAL300024609938	0	42	-1.0	-58.98	378.41	0.77	-58.21
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C[NH+](C)CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024609942	0	46	-1.0	-48.88	402.22	-2.80	-51.68
CN(C)CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024609942	1	46	-1.0	-48.88	402.22	-2.80	-51.68
CC(C#N)CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609943	0	36	-1.0	-49.33	332.68	-1.98	-51.31
CC(C)C1=NN=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024609944	0	40	-1.0	-48.33	377.97	-2.60	-50.93
COC(=O)C1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)OC=C1	REAL300024609945	0	39	-1.0	-54.54	364.97	-1.08	-55.62
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COC(=O)CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=CO1	REAL300024609947	0	42	-1.0	-52.79	387.74	-1.12	-53.91
COC(=O)CC1=CC=CC=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609948	0	45	-1.0	-51.99	400.15	0.72	-51.27
CSC1=CC=CC(F)=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609949	0	40	-1.0	-52.30	379.67	0.12	-52.18
NC1=CC=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609950	0	37	-1.0	-49.39	342.85	-4.53	-53.92
CN1C=C(C(O)C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024609951	0	40	-1.0	-53.16	367.70	-4.30	-57.46
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CCC1OCCC1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609953	0	43	-1.0	-49.38	366.68	-2.14	-51.52
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CCC(=O)C2=CC=CC=C21	REAL300024609954	0	45	-1.0	-52.25	394.49	0.86	-51.39
COC1=CC(C)=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024609955	0	42	-1.0	-48.21	373.93	-3.28	-51.49
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C12CCC(CO)(CC1)CC2	REAL300024609956	0	50	-1.0	-47.97	405.28	-2.33	-50.30
NC1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024609957	0	36	-2.0	-85.67	339.41	-5.44	-91.11
NC1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024609957	1	36	-2.0	-85.67	339.41	-5.44	-91.11
CC(C)(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=N1	REAL300024609958	0	44	-1.0	-52.75	381.64	-0.12	-52.87
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O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC2=C1OCO2	REAL300024609960	0	39	-1.0	-54.14	355.88	-1.43	-55.57
CCC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)NC(C)=C1C(C)=O	REAL300024609961	0	48	-1.0	-52.80	424.11	-0.36	-53.16
CC(C)(OC1=CC=CC=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609962	0	46	-1.0	-50.39	390.41	0.75	-49.64
CCCC1=CC=C(N)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024609963	0	47	-1.0	-46.87	405.26	-0.28	-47.15
NC(=O)CNC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024609964	0	45	-1.0	-55.63	402.38	-4.92	-60.55
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(Cl)N=N1	REAL300024609965	0	34	-1.0	-48.24	339.69	-3.15	-51.39
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1CCC(O)CC1	REAL300024609966	0	46	0.0	-75.65	383.54	-3.77	-79.42
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C[NH+]1CCC(O)CC1	REAL300024609966	1	46	0.0	-75.65	383.54	-3.77	-79.42
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC2=C(C=C1O)OCO2	REAL300024609967	0	40	-1.0	-50.43	365.38	-3.49	-53.92
CCC1=CC=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024609968	0	43	-1.0	-50.23	381.06	-0.70	-50.93
CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1O	REAL300024609969	0	41	-1.0	-51.74	370.13	-3.75	-55.49
COC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(N)=C1	REAL300024609970	0	42	-1.0	-48.34	370.27	-3.17	-51.51
N#CC1=CC=C(NCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024609971	0	41	-1.0	-53.85	383.53	-2.24	-56.09
NC(=O)C1=CC=C(NCC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024609972	0	44	-1.0	-55.81	397.29	-5.87	-61.68
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1CC(C2=CC=CC=C2)=NO1	REAL300024609973	0	44	-1.0	-57.06	398.58	0.63	-56.43
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024609974	0	42	0.0	-69.08	360.12	-0.88	-69.96
C[N@@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024609974	1	41	-1.0	-48.30	354.01	-3.29	-51.59
CN(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024609974	1	41	-1.0	-48.30	354.01	-3.29	-51.59
CN1C=CC=C1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609975	0	40	-1.0	-51.95	359.87	-0.66	-52.61
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)N1CCN(C)CC1	REAL300024609976	0	50	0.0	-71.78	403.98	-2.45	-74.23
CC(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024609976	1	50	0.0	-71.78	403.98	-2.45	-74.23
CC(C)C(NS(C)(=O)=O)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609977	0	46	-1.0	-53.23	410.41	-5.48	-58.71
O=C(CNC(=O)C1=CC=CC(O)=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609978	0	44	-1.0	-52.56	400.52	-5.07	-57.63
CC(=CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024609979	0	43	-1.0	-47.31	391.46	1.37	-45.94
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NOC(C2=CC=CC=C2)C1	REAL300024609980	0	44	-1.0	-48.08	399.07	-0.38	-48.46
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NN2CCCCC(=O)C2=C1	REAL300024609981	0	45	-1.0	-52.63	399.01	-1.48	-54.11
O=C(COC1=NSC=C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609982	0	36	-1.0	-51.03	351.33	-3.67	-54.70
CC1(C)[C@@H]2CC[C@@]1(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C2	REAL300024609983	0	48	-1.0	-50.32	393.61	-0.38	-50.70
O=C(CC[N@H+]1CCC(F)C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609984	0	45	0.0	-76.97	384.76	-0.53	-77.50
O=C(CC[N@@H+]1CCC(F)C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609984	1	44	-1.0	-49.55	382.21	-2.90	-52.45
O=C(CCN1CCC(F)C1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609984	1	44	-1.0	-49.55	382.21	-2.90	-52.45
CC1=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300024609985	0	38	-1.0	-54.04	354.36	-3.97	-58.01
CCOC(=O)[C@@H]1CC[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609986	0	48	-1.0	-53.99	415.23	0.40	-53.59
COC(CC1=CC=C(F)C=C1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609987	0	46	-1.0	-51.29	406.91	0.61	-50.68
N#CC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC2(CC2)C1	REAL300024609988	0	41	-1.0	-47.69	373.13	-0.19	-47.88
CN1CCCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024609989	0	43	-1.0	-50.84	369.99	-2.13	-52.97
O=C(CCOC1CC1)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609990	0	40	-1.0	-47.77	361.03	-2.19	-49.96
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CC(CNC(=O)C1(C)CCC(C)(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750430	0	54	-1.0	-44.63	422.46	1.92	-42.71
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CC(CNC(=O)C1=CC(C2CCCC2)=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750435	0	49	-1.0	-47.24	416.70	-0.06	-47.30
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CC(CNC(=O)[C@@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750437	0	43	-1.0	-45.95	362.29	-3.23	-49.18
CC(CNC(=O)[C@@H](C)N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750437	1	43	-1.0	-45.95	362.29	-3.23	-49.18
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CC(CNC(=O)C1=NC=C(Cl)N1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750463	0	39	-1.0	-46.37	368.09	-0.79	-47.16
CC(CNC(=O)[C@@H]1CC=CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750464	0	43	-1.0	-45.39	368.39	0.54	-44.85
COCC=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750465	0	40	-1.0	-47.64	361.88	-2.27	-49.91
CC1=CC2=C(C=C(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)N2)S1	REAL300024750466	0	43	-1.0	-47.36	396.06	0.18	-47.18
CC(CNC(=O)C1CN(C)CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750467	0	53	0.0	-66.63	420.90	-1.06	-67.69
CC(CNC(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750467	1	53	0.0	-66.63	420.90	-1.06	-67.69
CC(CNC(=O)C(C)[N@@H+]1CCCC(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750468	0	52	0.0	-64.69	419.50	-2.11	-66.80
CC(CNC(=O)C(C)[N@H+]1CCCC(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750468	1	51	-1.0	-47.60	413.55	-4.74	-52.34
CC(CNC(=O)C(C)N1CCCC(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750468	1	51	-1.0	-47.60	413.55	-4.74	-52.34
CC(CNC(=O)C1=CC=CC2=NON=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750469	0	40	-1.0	-52.98	366.60	-0.77	-53.75
CC(CNC(=O)CCOC1COC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750470	0	44	-1.0	-47.20	388.28	-3.29	-50.49
CC(CNC(=O)C1C[NH+](C2CCOC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750471	0	49	-1.0	-46.52	413.13	-3.81	-50.33
CC(CNC(=O)C1CN(C2CCOC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750471	1	49	-1.0	-46.52	413.13	-3.81	-50.33
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CC(CNC(=O)C=C(Cl)Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750487	0	33	-1.0	-45.26	336.13	-0.98	-46.24
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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
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CC1=NC(Cl)=CC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750499	0	41	-1.0	-46.54	378.50	-0.31	-46.85
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CC(CNC(=O)C1=CCCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750502	0	41	-1.0	-45.87	359.34	-1.21	-47.08
CC(CNC(=O)CSCC1=NC=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750503	0	43	-1.0	-53.48	398.81	-0.91	-54.39
CC(CNC(=O)C1=CCCS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750504	0	38	-1.0	-47.37	352.04	-0.38	-47.75
CC1=NOC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024750505	0	40	-1.0	-52.63	360.32	-1.25	-53.88
CC(CNC(=O)C(=O)NC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750506	0	40	-1.0	-47.34	363.83	-3.39	-50.73
CCN1C=C(Cl)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750507	0	42	-1.0	-49.30	392.40	-0.46	-49.76
CC(CNC(=O)C1=NC=C(Cl)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750508	0	37	-1.0	-47.57	359.96	-1.65	-49.22
CCC1=NOC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024750509	0	43	-1.0	-52.42	381.01	-0.39	-52.81
CC(CNC(=O)C1=CC=C2C=COC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750510	0	42	-1.0	-49.17	377.50	0.71	-48.46
CC1=NOC(COCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750511	0	44	-1.0	-54.71	401.01	-2.94	-57.65
CC(CNC(=O)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750512	0	40	-1.0	-46.32	357.48	-0.31	-46.63
CC(CNC(=O)C1CCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750513	0	37	-1.0	-48.52	333.54	-2.40	-50.92
CC(=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1C	REAL300024750514	0	49	-1.0	-45.68	422.42	2.92	-42.76
CC(CNC(=O)C1=CC=C(F)C(Cl)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750515	0	38	-1.0	-47.23	370.28	-0.84	-48.07
CC(CNC(=O)CCN=[N+]=[N-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750516	0	37	-1.0	-45.98	345.09	-5.31	-51.29
CC(CNC(=O)CN1C=C(CO)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750517	0	42	-1.0	-56.51	381.46	-5.51	-62.02
C#CCOCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750518	0	38	-1.0	-51.21	355.31	-1.05	-52.26
CC(CNC(=O)CC1=NN=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750519	0	37	-1.0	-54.75	345.08	-6.75	-61.50
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)SCCO1	REAL300024750520	0	42	-1.0	-46.50	375.85	-0.76	-47.26
CC(CNC(=O)CN(C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750521	0	45	0.0	-67.70	378.62	-3.77	-71.47
CC(CNC(=O)C[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750521	1	45	0.0	-67.18	378.40	-3.76	-70.94
CC(CNC(=O)C[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750521	1	45	0.0	-67.18	378.40	-3.76	-70.94
CC(CNC(=O)C1=CN=C(Cl)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750522	0	37	-1.0	-45.39	359.23	-2.79	-48.18
CC(CNC(=O)C1CCCS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750523	0	40	-1.0	-47.17	359.37	-0.29	-47.46
CCCC(O)(CCC)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750524	0	54	-1.0	-45.00	436.34	0.33	-44.67
CC(CNC(=O)C(C)(C)O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750525	0	39	-1.0	-45.58	345.43	-4.49	-50.07
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)C(C)SC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750527	0	46	-1.0	-47.75	412.13	1.98	-45.77
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C(CO)O1	REAL300024750528	0	43	-1.0	-48.60	385.32	-3.35	-51.95
CC(CNC(=O)C1=CC=NC2=NC=NN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750529	0	40	-1.0	-52.96	365.32	1.69	-51.27
CC(CNC(=O)CC(C)(O)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750530	0	42	-1.0	-47.32	377.75	-2.46	-49.78
CC1=CSC(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750531	0	41	-1.0	-49.73	381.55	-1.23	-50.96
CC(CNC(=O)C(F)(F)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750532	0	42	-1.0	-46.94	384.56	1.16	-45.78
CC(CNC(=O)CC1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750533	0	41	-1.0	-50.64	368.39	-0.54	-51.18
CC(CNC(=O)C1=CC=NC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750534	0	38	-1.0	-47.58	362.40	-0.95	-48.53
CC(CNC(=O)C(C)SC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750535	0	39	-1.0	-46.23	373.29	-0.42	-46.65
CC(CNC(=O)C1=CC=CN=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750536	0	38	-1.0	-51.17	349.90	-1.42	-52.59
CC1=CC=C(C(F)(F)C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024750537	0	45	-1.0	-46.82	405.96	1.83	-44.99
CC1=C(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)[N-]1	REAL300024750538	0	46	-1.0	-59.72	407.75	-2.06	-61.78
CC1=C(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)N1	REAL300024750538	1	46	-1.0	-59.72	407.75	-2.06	-61.78
CC1=CC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750539	0	37	-1.0	-46.75	340.48	-0.43	-47.18
CC(CNC(=O)C(=O)N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750540	0	39	-1.0	-47.73	347.43	-3.09	-50.82
CSC=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750541	0	37	-1.0	-46.26	350.57	-1.01	-47.27
CC(CNC(=O)C=C1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750542	0	53	0.0	-67.82	423.57	1.73	-66.09
CC(CNC(=O)C1=CNC=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750543	0	39	-1.0	-59.94	353.29	-1.66	-61.60
CC1=NC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CS1	REAL300024750544	0	40	-1.0	-49.11	368.82	-2.77	-51.88
CC(CNC(=O)C1=C(F)C=CN=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750545	0	38	-1.0	-49.55	361.57	-1.54	-51.09
CC(CNC(=O)C1=CN=C(Cl)C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750546	0	38	-1.0	-47.00	368.05	-0.91	-47.91
CC(CNC(=O)C1C[N@@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750547	0	51	0.0	-71.11	400.15	-1.41	-72.52
CC(CNC(=O)C1C[N@H+]2CCN1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750547	1	51	0.0	-71.11	400.15	-1.41	-72.52
CC(CNC(=O)CC(O)C1=CC=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750548	0	46	-1.0	-49.93	409.66	-0.35	-50.28
CC1=CNC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024750549	0	42	-1.0	-59.74	373.69	-0.99	-60.73
CC(CNC(=O)C1=C(Cl)C=CN=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750550	0	38	-1.0	-49.01	371.15	-1.14	-50.15
CCC(C)(O)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750551	0	42	-1.0	-45.57	362.05	-3.82	-49.39
COC1=CC=NC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750552	0	42	-1.0	-50.48	372.98	-0.85	-51.33
CC(CNC(=O)C(O)C1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750553	0	47	-1.0	-47.23	394.53	-3.03	-50.26
CC[N@@H+]1CCCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024750554	0	51	0.0	-66.03	412.78	1.08	-64.95
CC[N@H+]1CCCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024750554	1	51	0.0	-66.03	412.78	1.08	-64.95
CCC1=NOC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750555	0	40	-1.0	-48.32	367.36	-3.54	-51.86
CC(CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024750556	0	50	0.0	-70.03	407.67	0.78	-69.25
COC1=CC=CC(C=CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750557	0	47	-1.0	-48.23	414.35	0.87	-47.36
CC1=CC=C(C=CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024750558	0	43	-1.0	-46.52	396.91	1.45	-45.07
CC(CNC(=O)C=CC1=CC=C(Cl)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750559	0	42	-1.0	-49.28	396.62	0.23	-49.05
CC(CNC(=O)[C@@H]1CCC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750560	0	46	-1.0	-45.89	392.37	2.36	-43.53
CC(CNC(=O)C=CC1=CC=C(C(N)=O)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750561	0	44	-1.0	-49.97	407.44	-3.33	-53.30
CC(CNC(=O)C1=CC=CC2=C1COC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750562	0	44	-1.0	-47.66	383.81	-0.32	-47.98
CC1=CN2CC(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)CCC2=N1	REAL300024750563	0	49	-1.0	-50.34	416.94	1.11	-49.23
CC(CNC(=O)C1=CC=C(CC2CC2)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750564	0	49	-1.0	-46.08	424.83	3.39	-42.69
CC1=CC(Cl)=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024750565	0	39	-1.0	-46.20	377.98	0.68	-45.52
CC(CNC(=O)C1=NC=C(C(F)F)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750566	0	38	-1.0	-47.04	372.54	-1.46	-48.50
CC1=NN(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024750567	0	40	-1.0	-53.83	367.26	-2.89	-56.72
CC(C)N1C=NC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750568	0	45	-1.0	-48.99	391.24	0.80	-48.19
CC1=CN2C=C(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)C=CC2=N1	REAL300024750569	0	45	-1.0	-50.60	398.57	1.54	-49.06
CC1=NN=C2CCC(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)N12	REAL300024750570	0	45	-1.0	-52.94	392.04	0.68	-52.26
CC[N@H+](C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750571	0	44	0.0	-66.87	368.26	-0.53	-67.40
CC[N@@H+](C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750571	1	43	-1.0	-46.10	366.42	-2.79	-48.89
CCN(C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750571	1	43	-1.0	-46.10	366.42	-2.79	-48.89
CC(CNC(=O)C1=CC2=NNC(=O)N2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750572	0	42	-1.0	-51.33	382.67	-1.34	-52.67
CC(CNC(=O)C1CCCC(F)(F)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750573	0	48	-1.0	-47.92	395.89	1.19	-46.73
CC(CNC(=O)C1=CC=CN2C=NN=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750574	0	41	-1.0	-57.96	370.82	1.98	-55.98
COC1CC(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024750575	0	52	-1.0	-47.67	431.27	0.28	-47.39
CC(CNC(=O)C(C)(C)C1=NNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750576	0	44	-1.0	-56.99	383.74	-0.23	-57.22
CC(CNC(=O)C(C)(C)C1=NN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750576	1	44	-1.0	-56.99	383.74	-0.23	-57.22
CC1=CC2=C(OCC2)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750577	0	47	-1.0	-50.22	406.68	1.80	-48.42
CC(CNC(=O)C1=NNC=C1C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750578	0	46	-1.0	-48.93	397.62	-0.51	-49.44
CC(CNC(=O)C1CCC2C1C2(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750579	0	43	-1.0	-47.65	374.20	0.59	-47.06
CC1=NN(C2CCC2)C=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750580	0	49	-1.0	-47.75	418.78	0.72	-47.03
CC(CNC(=O)C(F)OC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750581	0	36	-1.0	-47.72	350.88	-2.53	-50.25
C=C1CC2(C1)CC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024750582	0	47	-1.0	-45.67	404.02	1.74	-43.93
CC(CNC(=O)CC1CCN2C=NC=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750583	0	49	-1.0	-52.30	413.56	1.96	-50.34
CC1=NC=C(C=CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024750584	0	45	-1.0	-54.11	403.44	-1.53	-55.64
CC(CNC(=O)C(F)(F)C1=CN=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750585	0	41	-1.0	-49.33	379.56	-2.55	-51.88
COC1=NNC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1Cl	REAL300024750586	0	40	-1.0	-48.44	380.38	-4.83	-53.27
CC(CNC(=O)C1=CC2=CC=CC=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750587	0	44	-1.0	-47.14	390.89	2.11	-45.03
COC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CN=C1	REAL300024750588	0	45	-1.0	-49.57	402.19	-0.58	-50.15
CCC1(C#CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)COC1	REAL300024750589	0	45	-1.0	-48.97	401.02	-0.82	-49.79
COC1=CC=C(C)N=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750590	0	45	-1.0	-50.34	396.66	-0.16	-50.50
CC(CNC(=O)C1=C[C@@H]2CCCC[C@H]12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750591	0	47	-1.0	-45.67	397.43	1.76	-43.91
CC(C)C1=CNN=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750592	0	45	-1.0	-48.79	392.45	-1.16	-49.95
CC(CNC(=O)[C@@H]1C[C@H]1C1=NN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750593	0	42	-1.0	-51.96	380.97	-0.29	-52.25
CC(CNC(=O)[C@@H]1C[C@H]1C1=NNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750593	1	42	-1.0	-51.96	380.97	-0.29	-52.25
CC(CNC(=O)C1=C(C2CCC2)ON=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750594	0	45	-1.0	-46.69	395.00	0.73	-45.96
CC(CNC(=O)CCC(C)(C)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750595	0	44	-1.0	-46.53	380.48	0.17	-46.36
COC1CC2(C1)CC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024750596	0	50	-1.0	-46.47	423.97	0.19	-46.28
CC1=NC=CC=C1C=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750597	0	45	-1.0	-48.23	397.59	0.31	-47.92
CC1=CC=C(C=CCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024750598	0	49	-1.0	-48.09	427.40	3.06	-45.03
CC(CNC(=O)C12CCC[N@@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750599	0	52	0.0	-61.53	404.88	1.38	-60.15
CC(CNC(=O)C12CCC[N@H+]1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750599	1	52	0.0	-61.53	404.88	1.38	-60.15
CC(CNC(=O)CC1CC(C(F)F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750600	0	45	-1.0	-47.86	396.69	1.04	-46.82
CC1=C(C(N)=O)C=CC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750601	0	46	-1.0	-52.58	395.02	-2.14	-54.72
CC(CNC(=O)C1=C2C=CNC2=CN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750602	0	42	-1.0	-52.17	374.14	-1.40	-53.57
CC(CNC(=O)C1=NNC2=C1C[C@H]1C[C@@H]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750603	0	44	-1.0	-49.11	387.53	-0.54	-49.65
CC(CNC(=O)C1=C2C[C@H]3C[C@H]3C2=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750603	1	44	-1.0	-49.11	387.53	-0.54	-49.65
CC1=CC=CC([C@@H](C)C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750604	0	48	-1.0	-46.92	412.30	2.27	-44.65
CC(CNC(=O)C1=CC2=C(C=CS2)N1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750605	0	43	-1.0	-48.09	392.20	1.00	-47.09
CC1=NN(C(C)C)C(C)=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750606	0	51	-1.0	-49.56	440.17	0.67	-48.89
CC(CNC(=O)C1=C2SN=CC2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750607	0	41	-1.0	-52.06	380.32	0.56	-51.50
CC(CNC(=O)C12CCC[N@@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750608	0	50	0.0	-63.85	397.13	1.31	-62.54
CC(CNC(=O)C12CCC[N@H+]1CC=CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750608	1	50	0.0	-63.85	397.13	1.31	-62.54
CC(C)C(C)C(C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750609	0	53	-1.0	-44.96	420.18	1.56	-43.40
CC(CNC(=O)C(O)C1=CC=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750610	0	43	-1.0	-48.98	381.69	-3.37	-52.35
CC(CNC(=O)C1=CNC2=NC=NN2C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750611	0	41	-1.0	-60.17	375.03	0.62	-59.55
CC[C@H](CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024750612	0	50	-1.0	-45.00	403.14	1.06	-43.94
CC(CNC(=O)C1CC2(C1)CCCO2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750613	0	47	-1.0	-47.92	397.58	-0.60	-48.52
CCC=CC=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750614	0	43	-1.0	-45.91	384.78	0.89	-45.02
CCC1=NOC(CCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750615	0	46	-1.0	-48.83	409.42	-1.92	-50.75
CC1=NN(C)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1[N+](=O)[O-]	REAL300024750616	0	44	-1.0	-51.27	408.46	-0.65	-51.92
CC(CNC(=O)C=C1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750617	0	46	-1.0	-45.32	390.25	1.31	-44.01
CC(CNC(=O)C(C)OC1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750618	0	52	-1.0	-47.80	431.68	1.78	-46.02
CC(CNC(=O)C1=CC=C(F)C=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750619	0	41	-1.0	-51.54	380.99	2.11	-49.43
CCC1=NC=C(Cl)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750620	0	43	-1.0	-45.43	398.64	-0.45	-45.88
CC1=NN2C=CC=CC2=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750621	0	45	-1.0	-51.84	403.65	0.66	-51.18
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
CC1=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CN1	REAL300024750623	0	40	-1.0	-49.66	359.49	-1.18	-50.84
CC(CNC(=O)CCC1CCC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750624	0	46	-1.0	-52.50	398.66	-2.44	-54.94
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CC(CNC(=O)C1=C(Cl)C=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750638	0	36	-1.0	-49.25	348.25	-2.65	-51.90
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CC(CNC(=O)C1CCC1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750645	0	39	-1.0	-46.60	348.33	-0.55	-47.15
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CC1=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(Cl)=N1	REAL300024750648	0	41	-1.0	-47.38	384.00	-0.34	-47.72
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CC(CNC(=O)C1=CC=CC(Cl)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750651	0	38	-1.0	-48.13	364.42	-0.90	-49.03
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CC1=CC=CC([N+](=O)[O-])=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750653	0	44	-1.0	-52.73	398.39	1.68	-51.05
CC(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750654	0	41	-1.0	-50.67	378.53	1.04	-49.63
CC[NH+](CC)CCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750655	0	50	0.0	-67.25	408.48	0.72	-66.53
CC(CNC(=O)C1=NN(C)C(=O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750656	0	43	-1.0	-48.64	382.72	-2.44	-51.08
CC(CNC(=O)C1=CN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750657	0	36	-1.0	-49.07	332.27	-2.07	-51.14
CC(CNC(=O)C1CC2=CC=CC=C2S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750658	0	44	-1.0	-48.18	397.91	1.91	-46.27
CC(CNC(=O)C1=CC2=NNC=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750659	0	42	-1.0	-52.27	375.61	-0.79	-53.06
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CC1=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1[N+](=O)[O-]	REAL300024750661	0	44	-1.0	-48.57	394.48	1.56	-47.01
COC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024750662	0	46	-1.0	-47.75	407.28	1.21	-46.54
CC(CNC(=O)C1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750663	0	43	-1.0	-45.37	369.19	0.70	-44.67
CC1=CC([N+](=O)[O-])=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750664	0	43	-1.0	-47.00	397.69	-0.05	-47.05
CC(CNC(=O)CC1=CN=CN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750665	0	40	-1.0	-50.61	364.59	-0.92	-51.53
CC(CNC(=O)CCC1=NC(=O)NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750666	0	42	-1.0	-59.17	380.14	-4.70	-63.87
CC(CNC(=O)C1=CC2=NNN=C2C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750667	0	41	-1.0	-49.34	374.62	-2.26	-51.60
CC1=CC=NC=C1C=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750668	0	45	-1.0	-48.84	397.59	0.33	-48.51
CC(CNC(=O)C1=CC=C(Cl)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750669	0	39	-1.0	-50.28	369.28	-2.01	-52.29
CCC1=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(Cl)=N1	REAL300024750670	0	44	-1.0	-47.06	404.67	0.46	-46.60
CC(CNC(=O)C=C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750671	0	48	-1.0	-45.45	401.54	-1.25	-46.70
CC(CNC(=O)C=C1CCN(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750671	1	48	-1.0	-45.45	401.54	-1.25	-46.70
CC(CNC(=O)C1(C(F)F)CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750672	0	48	-1.0	-46.40	398.90	1.16	-45.24
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
CC(CNC(=O)C(=O)NCCC(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750674	0	43	-1.0	-55.97	391.39	-7.46	-63.43
CC(CNC(=O)C1=CNC2=CC=NN2C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750675	0	42	-1.0	-63.06	380.33	-1.53	-64.59
CC(CNC(=O)C1(C)CC1C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750676	0	42	-1.0	-45.64	375.78	0.31	-45.33
CC1=NSC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750677	0	38	-1.0	-47.13	359.27	-1.39	-48.52
CC(CNC(=O)C1=C2C=CSC2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750678	0	42	-1.0	-47.39	382.98	1.70	-45.69
CC(CNC(=O)C1=CCS(=O)(=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750679	0	40	-1.0	-55.01	369.69	-4.05	-59.06
CC1=NOC(CCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750680	0	44	-1.0	-49.31	393.29	0.04	-49.27
CC(CNC(=O)C1=CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750681	0	38	-1.0	-46.97	350.57	-0.34	-47.31
CC(CNC(=O)CCCC(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750682	0	41	-1.0	-48.15	370.60	-0.09	-48.24
CC(CNC(=O)CC1=NC=C(Cl)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750683	0	38	-1.0	-48.51	376.81	-1.22	-49.73
CC(CNC(=O)CN1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750684	0	47	-1.0	-46.64	397.76	-2.75	-49.39
CC(CNC(=O)CSC1=NN=CN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750685	0	42	-1.0	-53.94	392.70	0.78	-53.16
CC(CNC(=O)CCCNS(C)(=O)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750686	0	46	-1.0	-56.16	414.98	-5.00	-61.16
CC1=CC=C(Cl)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750687	0	42	-1.0	-46.62	384.27	1.57	-45.05
CC(CNC(=O)CCN1C=CC=NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750688	0	44	-1.0	-60.80	395.11	-2.03	-62.83
CC(CNC(=O)C1=CC=C(C(F)(F)F)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750689	0	40	-1.0	-46.33	378.56	-0.88	-47.21
CC(CNC(=O)CCCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750690	0	57	0.0	-68.43	457.08	2.80	-65.63
CCN1C=C([N+](=O)[O-])C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750691	0	44	-1.0	-53.51	401.06	0.63	-52.88
CSC1=NC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024750692	0	41	-2.0	-90.46	387.16	-3.19	-93.65
CSC1=NC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024750692	1	41	-2.0	-90.46	387.16	-3.19	-93.65
CC(CNC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750693	0	41	-1.0	-47.93	384.94	1.11	-46.82
CC(CNC(=O)C=CC1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750694	0	49	-1.0	-45.43	412.05	1.98	-43.45
CC(CNC(=O)C(C)(O)C1=CC=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750695	0	46	-1.0	-47.99	404.33	-1.33	-49.32
CCCC(O)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750696	0	45	-1.0	-48.41	388.62	-1.99	-50.40
CC(CNC(=O)C1=C([N+](=O)[O-])C=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750697	0	41	-1.0	-51.34	384.17	-1.34	-52.68
CC(CNC(=O)C1CSC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750698	0	44	-1.0	-49.37	397.01	1.91	-47.46
CC(CNC(=O)C(C)(O)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750699	0	49	-1.0	-46.72	421.14	-0.89	-47.61
CC(CNC(=O)C1(Cl)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750700	0	36	-1.0	-44.97	340.72	-0.60	-45.57
CC(CNC(=O)C1=CCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750701	0	38	-1.0	-46.17	343.04	-2.03	-48.20
CC(CNC(=O)C1(O)CC2=CC=CC=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750702	0	47	-1.0	-48.11	405.45	-0.93	-49.04
CC(CNC(=O)C1=CC=C(CO)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750703	0	40	-1.0	-48.94	367.89	-4.12	-53.06
CCCCCC(O)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750704	0	51	-1.0	-48.26	431.61	-0.42	-48.68
CC(CNC(=O)C1=C2C=CC=CN2N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750705	0	41	-1.0	-55.21	373.99	-1.26	-56.47
CC(CNC(=O)C1OCCN(C)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750706	0	44	-1.0	-52.37	383.15	-2.26	-54.63
CC(CNC(=O)C1(C)CCN(C)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750707	0	46	-1.0	-51.17	394.32	-1.40	-52.57
CC(CNC(=O)C=CC1=C(F)C=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750708	0	43	-1.0	-48.67	398.58	1.75	-46.92
CC(CNC(=O)C=CCOC1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750709	0	51	-1.0	-48.68	436.83	-1.02	-49.70
CC(CNC(=O)C1=CC=CC(C(F)F)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750710	0	41	-1.0	-49.58	380.72	-0.43	-50.01
CC(CNC(=O)C=CC1=CSC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750711	0	40	-1.0	-46.55	374.96	0.54	-46.01
CC(CNC(=O)C=CC1=CC=NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750712	0	41	-1.0	-48.89	377.24	-0.13	-49.02
CC(=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C(F)F	REAL300024750713	0	39	-1.0	-47.31	357.24	-0.36	-47.67
CC(CNC(=O)[C@H]1CC[C@@H](C(N)=O)N1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750714	0	48	-1.0	-55.38	410.40	-5.54	-60.92
CC1=CC(F)=NC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750715	0	41	-1.0	-47.52	368.03	-0.77	-48.29
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
CC1=C([O-])N=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024750716	1	38	-2.0	-99.07	367.33	-5.09	-104.16
CC(CNC(=O)C1(C)CC2(CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750717	0	46	-1.0	-45.02	391.36	1.26	-43.76
CC(CNC(=O)C1=NNC2=C1CCSC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750718	0	44	-1.0	-47.39	392.87	-1.05	-48.44
CC(CNC(=O)C1=C2CCSCC2=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750718	1	44	-1.0	-47.39	392.87	-1.05	-48.44
CC(CNC(=O)C1CC2(CSC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750719	0	44	-1.0	-47.73	390.38	0.83	-46.90
CC(CNC(=O)C1=CN2N=CC=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750720	0	42	-1.0	-49.67	377.45	0.17	-49.50
CC(CNC(=O)C[N@@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750721	0	49	0.0	-67.27	406.94	-2.79	-70.06
CC(CNC(=O)C[N@H+]1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750721	1	48	-1.0	-49.75	403.66	-5.37	-55.12
CC(CNC(=O)CN1CCC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750721	1	48	-1.0	-49.75	403.66	-5.37	-55.12
CC(CNC(=O)C=CC1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750722	0	43	-1.0	-47.24	391.28	1.64	-45.60
CC(C)OC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024750723	0	49	-1.0	-44.10	403.66	0.23	-43.87
CC(CNC(=O)C1CC12CC(C)(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750724	0	49	-1.0	-45.35	413.37	1.90	-43.45
CC(CNC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750725	0	46	-1.0	-53.09	408.33	-4.74	-57.83
CC(CNC(=O)C1CCCN2N=CN=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750726	0	45	-1.0	-49.38	389.04	0.57	-48.81
CC1=NC=C(C=CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024750727	0	42	-1.0	-47.37	392.14	-0.45	-47.82
CCSC1=CN=CC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750728	0	45	-1.0	-47.86	402.97	0.45	-47.41
CC(CNC(=O)CC1=NOC(C2CC2)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750729	0	45	-1.0	-52.07	402.76	0.84	-51.23
CC(CNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750730	0	45	0.0	-70.93	386.50	0.01	-70.92
CC(CNC(=O)C1=NC=CC2=NC=NC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750731	0	42	-1.0	-47.30	378.50	-1.20	-48.50
CCN1C=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024750732	0	45	-1.0	-54.51	397.32	0.12	-54.39
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)C(C)(F)C1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750734	0	45	-1.0	-47.14	403.36	1.59	-45.55
CC1=CSC(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750735	0	42	-1.0	-47.49	386.83	0.85	-46.64
CCC[C@H](O)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750736	0	42	-1.0	-46.33	367.75	-2.45	-48.78
CC(CNC(=O)C1CCCN2C=NN=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750737	0	45	-1.0	-53.31	388.20	1.30	-52.01
C#CCC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC=CCC1	REAL300024750738	0	48	-1.0	-47.21	408.70	2.01	-45.20
CC(CNC(=O)C1=CSC2=NC=CN12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750739	0	39	-1.0	-48.50	364.04	0.04	-48.46
CC(CNC(=O)C1=CC=NN1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750740	0	48	-1.0	-46.58	401.23	0.04	-46.54
CC(CNC(=O)C1C2CCC(C2)C1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750741	0	52	-1.0	-44.48	409.31	1.88	-42.60
CC(CNC(=O)C12CCC(CC1)C2(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750742	0	52	-1.0	-44.73	410.61	1.62	-43.11
C#CC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024750743	0	44	-1.0	-45.68	382.91	0.90	-44.78
CC(CNC(=O)C1=CN=C2C=NN(C)C2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750744	0	44	-1.0	-49.96	394.49	-1.58	-51.54
CC(CNC(=O)C1(C2CCOCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750745	0	50	-1.0	-46.73	410.71	0.29	-46.44
CC(CNC(=O)C1=C2NC=CC2=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750746	0	43	-1.0	-48.15	385.85	0.64	-47.51
CC(CNC(=O)CC1COCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750747	0	44	-1.0	-49.39	379.95	-1.98	-51.37
CC(CNC(=O)C1(C(C)C)COC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750748	0	46	-1.0	-45.62	383.00	-1.30	-46.92
CC(CNC(=O)C1(C(F)F)CC(F)(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750749	0	42	-1.0	-47.41	378.38	0.40	-47.01
CC1=CC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(N=[N+]=[N-])=C1	REAL300024750750	0	44	-1.0	-47.46	397.87	-0.96	-48.42
CC(CNC(=O)CC1CC2(CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750751	0	49	-1.0	-45.68	411.63	2.00	-43.68
CNC(=O)N[C@H](C)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750752	0	44	-1.0	-50.69	388.03	-4.73	-55.42
COC1=NC=NC(C)=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750753	0	44	-1.0	-48.30	395.75	-2.71	-51.01
CC(CNC(=O)C(C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750754	0	51	0.0	-68.03	426.19	0.54	-67.49
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=C2C=NSC2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750756	0	41	-1.0	-48.59	377.98	0.42	-48.17
CC(CNC(=O)CC1(C)CCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750757	0	46	-1.0	-47.74	386.10	-0.16	-47.90
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N(C)C=N1	REAL300024750758	0	42	-1.0	-50.60	377.09	0.01	-50.59
CC(CNC(=O)C12CCC(C)(C1)OC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750759	0	47	-1.0	-46.68	396.64	-0.91	-47.59
CCN1C(C)=NN(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024750760	0	48	-1.0	-58.12	426.36	0.31	-57.81
CC(CNC(=O)C=CC1=CNC(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750761	0	43	-1.0	-58.63	391.51	-4.06	-62.69
CC(CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)CC(F)(F)F	REAL300024750762	0	44	-1.0	-47.96	387.63	0.44	-47.52
CC(CNC(=O)CC1=NN=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750763	0	37	-1.0	-52.71	354.18	-2.89	-55.60
CC(CNC(=O)C1(C2CCC2)CC1(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750764	0	46	-1.0	-46.51	394.27	1.62	-44.89
CC(CNC(=O)CCOCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750765	0	51	0.0	-67.59	427.36	-0.41	-68.00
COCCN(C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750766	0	48	0.0	-67.02	400.65	-1.37	-68.39
COCC[N@H+](C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750766	1	48	0.0	-67.70	400.87	-1.36	-69.06
COCC[N@@H+](C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750766	1	48	0.0	-67.70	400.87	-1.36	-69.06
CCC(CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)CC(F)(F)F	REAL300024750767	0	47	-1.0	-47.65	400.23	0.91	-46.74
CC(CNC(=O)C1(C2CC2)CCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750768	0	47	-1.0	-45.21	394.04	0.18	-45.03
CC(CNC(=O)C1=CC2=CN(C)N=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750769	0	45	-1.0	-53.55	399.26	0.39	-53.16
CCC1=CSC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750770	0	42	-1.0	-45.64	379.02	0.71	-44.93
CC(CNC(=O)CC1CCCC(F)(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750771	0	48	-1.0	-47.52	405.92	1.44	-46.08
CC1=NNC2=C1CC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024750772	0	49	-1.0	-49.68	414.54	-0.28	-49.96
CC1=C2CC(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)CCC2=NN1	REAL300024750772	1	49	-1.0	-49.68	414.54	-0.28	-49.96
CC(CNC(=O)C1=CC2CCC=CCCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750773	0	51	-1.0	-45.66	421.86	2.80	-42.86
CC(CNC(=O)C12CC(CO)(C1)OC2(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750774	0	51	-1.0	-48.92	423.52	-3.51	-52.43
CC(CNC(=O)C1=CN(C(F)(F)F)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750775	0	39	-1.0	-47.87	374.67	-1.64	-49.51
C=C1CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)(C(F)F)C1	REAL300024750776	0	43	-1.0	-46.45	382.56	0.81	-45.64
C#CC1=CC=C(C2CC2C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024750777	0	48	-1.0	-48.58	422.13	3.53	-45.05
CO[C@@H]1C[C@@]2(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300024750778	0	44	-1.0	-48.01	387.35	-0.97	-48.98
CC(CNC(=O)C1=CC2=CN=CN=C2N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750779	0	41	-1.0	-49.21	373.61	-0.59	-49.80
CC1=CC=C(C)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750780	0	44	-1.0	-47.02	385.21	-0.05	-47.07
CC(CNC(=O)C12CC(C)(C1)OC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750781	0	47	-1.0	-46.57	400.09	-0.85	-47.42
CC(CNC(=O)CC1=NN=CN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750782	0	41	-1.0	-56.95	370.51	-0.05	-57.00
CCC1=NON=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750783	0	40	-1.0	-45.28	365.20	-1.64	-46.92
CC(CNC(=O)CC1(CO)CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750784	0	50	-1.0	-45.81	404.03	-4.02	-49.83
CC(CNC(=O)CC1=NSN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750785	0	37	-1.0	-51.35	351.66	-2.92	-54.27
C=CCC(C)(C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750786	0	48	-1.0	-44.87	397.30	1.07	-43.80
CC(CNC(=O)C1CCC(=O)N(C2CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750787	0	50	-1.0	-50.73	420.59	0.06	-50.67
CC(CNC(=O)C1=CC=C(C#CC2CC2)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750788	0	48	-1.0	-47.65	431.30	4.11	-43.54
CC(CNC(=O)C1=CC=CC(C#CC2CC2)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750789	0	48	-1.0	-48.84	431.36	4.11	-44.73
CC(CNC(=O)C1CC(C2=CC=CC=C2)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750790	0	47	-1.0	-50.83	413.37	1.58	-49.25
CC(CNC(=O)C1=CC2=CC=CC=C2C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750791	0	47	-1.0	-46.62	407.73	2.84	-43.78
CC(CNC(=O)C1=CC=CC=C1OC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750792	0	47	-1.0	-50.14	408.71	2.61	-47.53
CC(CNC(=O)C1=CC2=CC=NN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750793	0	42	-1.0	-49.79	377.81	0.16	-49.63
COC1=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(C)=N1	REAL300024750794	0	45	-1.0	-47.60	399.33	-2.27	-49.87
CC(CNC(=O)C(CO)C1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750795	0	46	-1.0	-47.13	406.07	-1.18	-48.31
CCSC1=NC=CN=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750796	0	44	-1.0	-48.25	402.27	-1.07	-49.32
CC(CNC(=O)C1=NOC(C(F)(F)F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750797	0	38	-1.0	-45.40	370.30	-1.13	-46.53
CC(CNC(=O)C1=NN=C(C(C)(C)C)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750798	0	46	-1.0	-48.63	415.78	-1.03	-49.66
CCC(C)(OC)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750799	0	45	-1.0	-47.94	377.94	-0.72	-48.66
CC(CNC(=O)C1=CC=C(F)C(CO)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750800	0	43	-1.0	-48.60	386.83	-2.08	-50.68
CCCC(CCCO)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750801	0	51	-1.0	-47.18	428.03	-1.86	-49.04
CC(CNC(=O)[C@@H]1C[C@H]1C1=CC=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750802	0	46	-1.0	-48.03	409.28	2.49	-45.54
CC(O)C1=NC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024750803	0	42	-1.0	-47.94	390.91	-4.29	-52.23
CC(CNC(=O)CC1CCCNC(=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750804	0	49	-1.0	-55.47	407.20	-2.08	-57.55
CC(C)[C@H](O)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750805	0	42	-1.0	-45.44	360.68	-3.41	-48.85
CSC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024750806	0	43	-1.0	-44.79	383.66	0.44	-44.35
CC(CNC(=O)C(C)C1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750807	0	44	-1.0	-49.55	385.72	-0.32	-49.87
CC(CNC(=O)C(O)C1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750808	0	42	-1.0	-46.11	375.35	-2.23	-48.34
CC(CNC(=O)C(C)(O)C1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750809	0	45	-1.0	-49.03	395.77	-2.75	-51.78
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)CCCCCN1C=NN=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750811	0	49	-1.0	-56.87	430.38	0.58	-56.29
COC1=CC=CN=C1C(C)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750812	0	48	-1.0	-50.73	416.04	-0.60	-51.33
CC(CNC(=O)C1=CC=C2C(=C1)C=CN2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750813	0	46	-1.0	-49.69	403.96	2.14	-47.55
CC(CNC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750814	0	51	0.0	-66.76	401.65	1.00	-65.76
COC1=CC=NC(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750815	0	45	-1.0	-51.12	398.15	-1.24	-52.36
CC(CNC(=O)C(C)CS(C)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750816	0	43	-1.0	-53.79	382.99	-2.43	-56.22
CC(CNC(=O)CCC(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750817	0	50	0.0	-67.69	407.81	0.54	-67.15
CC(CNC(=O)C=CC1=CC=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750818	0	42	-1.0	-48.29	379.92	-0.18	-48.47
CC(CNC(=O)C1=CN=CC(F)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750819	0	37	-1.0	-46.57	348.77	-3.24	-49.81
CC(CNC(=O)C1=CN(C2CC2)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750820	0	43	-1.0	-49.48	385.01	-0.34	-49.82
CC1=CC=CC(COCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750821	0	49	-1.0	-50.36	430.84	2.12	-48.24
CC(CNC(=O)CCC1=NN=C(C2CC2)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750822	0	47	-1.0	-50.86	419.86	-3.55	-54.41
CC(C)C(CO)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750823	0	45	-1.0	-45.37	376.87	-2.92	-48.29
CCOC=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750824	0	40	-1.0	-46.72	361.59	-1.69	-48.41
CC(CNC(=O)C1CCC2=NNC=C2C1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750825	0	49	-1.0	-50.35	406.07	-0.66	-51.01
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=CC2=NNC=C21	REAL300024750826	0	45	-1.0	-52.40	391.68	-0.24	-52.64
CCN1CCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750827	0	45	0.0	-64.97	375.33	-0.47	-65.44
CC[N@@H+]1CCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750827	1	45	0.0	-65.68	382.16	-0.17	-65.85
CC[N@H+]1CCC1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750827	1	45	0.0	-65.68	382.16	-0.17	-65.85
CC1=NC(C=CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024750828	0	42	-1.0	-48.53	393.22	-0.53	-49.06
CSC1=CC(C)=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024750829	0	43	-1.0	-45.05	395.66	0.26	-44.79
CC(CNC(=O)CCNC(=O)CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750830	0	43	-1.0	-58.92	386.51	-5.71	-64.63
CCC(O)CN1C=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024750831	0	48	-1.0	-54.59	426.11	-4.19	-58.78
CC(CNC(=O)CSS(C)(=O)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750832	0	39	-1.0	-60.01	373.38	-2.69	-62.70
CC(CNC(=O)C1=CN2C=NN=C2C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750833	0	40	-1.0	-50.92	368.45	-0.06	-50.98
CC(=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CS1	REAL300024750834	0	43	-1.0	-45.26	393.36	1.43	-43.83
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCS1(=O)=O	REAL300024750835	0	43	-1.0	-55.06	386.71	-3.35	-58.41
CC(CNC(=O)C=CCCC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750836	0	49	-1.0	-46.85	431.01	3.25	-43.60
CC1=CC(C)=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)O1	REAL300024750837	0	44	-1.0	-53.82	386.93	1.15	-52.67
CC(CNC(=O)C1CCC[N@@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750838	0	54	0.0	-64.76	429.43	1.59	-63.17
CC(CNC(=O)C1CCC[N@H+](C(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750838	1	54	0.0	-64.76	429.43	1.59	-63.17
COC1=CC=C(C=CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024750839	0	47	-1.0	-47.81	414.29	0.88	-46.93
CC1=CC=C2CC(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024750840	0	46	-1.0	-48.66	402.62	2.26	-46.40
CC(CNC(=O)C1CCCC2=C1N=CS2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750841	0	45	-1.0	-45.56	397.58	0.43	-45.13
CC(CNC(=O)C1=CNN=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750842	0	38	-1.0	-55.88	356.01	-0.59	-56.47
CSCCCCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750843	0	45	-1.0	-46.81	402.68	0.87	-45.94
CC1=NC(=O)NC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750844	0	41	-1.0	-56.28	372.10	-4.15	-60.43
CC(CNC(=O)CC1(O)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750845	0	46	-1.0	-45.49	384.25	-1.57	-47.06
CC(CNC(=O)C1CCCC1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750846	0	43	-1.0	-48.10	368.25	-3.24	-51.34
CC(CNC(=O)CC1(O)CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750847	0	49	-1.0	-47.62	401.81	-0.68	-48.30
CC(CNC(=O)C1=CC(F)=CN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750848	0	38	-1.0	-46.85	364.41	-0.88	-47.73
CC(C)C1=NC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024750849	0	45	-1.0	-47.11	394.70	-1.02	-48.13
CCC1=NC(C)=NC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750850	0	46	-1.0	-46.99	397.40	-0.28	-47.27
CC1=C(C)C(C)=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024750851	0	46	-1.0	-46.97	394.97	-0.03	-47.00
CC(CNC(=O)C[N@@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750852	0	49	0.0	-66.41	400.15	-3.14	-69.55
CC(CNC(=O)C[N@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750852	1	48	-1.0	-49.09	402.57	-4.94	-54.03
CC(CNC(=O)CN1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750852	1	48	-1.0	-49.09	402.57	-4.94	-54.03
CC(CNC(=O)[C@@H](C)O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750853	0	36	-1.0	-49.53	326.09	-4.07	-53.60
CC(CNC(=O)C1=NN2C=CC=CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750854	0	42	-1.0	-51.15	381.64	0.04	-51.11
CCCCSCCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750855	0	48	-1.0	-45.69	424.15	1.79	-43.90
CC1=NN(C)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1Cl	REAL300024750856	0	42	-1.0	-48.76	394.45	-0.89	-49.65
CC1=C([N+](=O)[O-])C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=NN1C	REAL300024750857	0	44	-1.0	-53.88	405.24	-0.53	-54.41
CCC1=CN=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024750858	0	41	-1.0	-46.54	381.83	-0.92	-47.46
CC1=CC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C([N+](=O)[O-])=C1	REAL300024750859	0	44	-1.0	-52.85	398.44	2.40	-50.45
CC(C)C1=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300024750860	0	48	-1.0	-50.96	415.99	-0.71	-51.67
CSSCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750861	0	37	-1.0	-47.91	359.83	0.13	-47.78
CC(CNC(=O)CC(O)C(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750862	0	40	-1.0	-53.65	362.01	-6.47	-60.12
CCC(C)=C(C)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750863	0	45	-1.0	-44.95	379.24	0.80	-44.15
CSC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024750864	0	48	-1.0	-44.77	407.45	0.82	-43.95
COC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024750865	0	43	-1.0	-44.90	369.86	-1.77	-46.67
CSC1=CC=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750866	0	43	-1.0	-48.05	390.52	1.40	-46.65
CC(CNC(=O)C1=COC(Cl)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750867	0	35	-1.0	-46.42	346.44	-4.50	-50.92
CC(CNC(=O)C1=CC2=NC=CC=C2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750868	0	43	-1.0	-51.22	386.65	-1.12	-52.34
CC(CNC(=O)C1=CN=C(Cl)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750869	0	35	-1.0	-45.49	354.56	-1.95	-47.44
CC(CNC(=O)C1CC2(C1)CCCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750870	0	52	-1.0	-45.16	421.35	2.28	-42.88
CC(CNC(=O)CCC(C)(C)O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750871	0	45	-1.0	-47.00	384.82	-3.15	-50.15
COCCC(C)(C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750872	0	51	-1.0	-45.71	416.04	-0.48	-46.19
CC(CNC(=O)C1CCC2(CCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750873	0	52	-1.0	-45.03	419.95	2.28	-42.75
CC(CNC(=O)C(CO)C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750874	0	48	-1.0	-45.40	389.83	-2.05	-47.45
CC(CNC(=O)C1=CC=CC(S(C)=O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750875	0	44	-1.0	-53.73	402.53	-1.04	-54.77
CC1=NC(C)=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024750876	0	46	-1.0	-48.32	405.41	-0.76	-49.08
CC(CNC(=O)C1=C2C=CN=C2NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750877	0	42	-1.0	-51.04	374.78	-0.34	-51.38
CC(CNC(=O)C1=C2C=CNC2=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750877	1	42	-1.0	-51.04	374.78	-0.34	-51.38
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750878	0	52	0.0	-66.69	418.03	1.49	-65.20
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750878	1	52	0.0	-66.69	418.03	1.49	-65.20
CC(CNC(=O)[C@@H](O)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750879	0	43	-1.0	-46.09	383.06	-0.88	-46.97
CC(CNC(=O)C1=CC(=O)C=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750880	0	39	-1.0	-57.35	355.25	-1.88	-59.23
CC(CNC(=O)C1NC(=O)CC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750881	0	43	-1.0	-52.02	377.86	-3.41	-55.43
CC(CNC(=O)C1=CSN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750882	0	35	-1.0	-46.81	336.24	-1.97	-48.78
CC(CNC(=O)C1=CN=CC(Cl)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750883	0	37	-1.0	-45.82	359.24	-2.78	-48.60
CC(CNC(=O)C1=CC=CN=C1OCCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750884	0	46	-1.0	-53.19	408.59	-3.85	-57.04
CC(CNC(=O)C1(C)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750885	0	51	0.0	-66.33	407.79	0.88	-65.45
CC1=NC=CC(Cl)=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750886	0	41	-1.0	-47.90	384.56	-0.59	-48.49
CC(CNC(=O)C1(N2C=CC=N2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750887	0	43	-1.0	-46.99	388.21	-0.46	-47.45
CC(CNC(=O)C1=CCCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750888	0	49	-1.0	-45.19	402.20	1.57	-43.62
CCC1=NC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024750889	0	42	-1.0	-47.81	375.69	-1.59	-49.40
CC(CNC(=O)C1=CN2C=CN=CC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750890	0	41	-1.0	-50.44	375.65	-0.90	-51.34
CC(CNC(=O)C1=CC(C[NH+](C)C)=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750891	0	49	0.0	-70.29	416.90	0.07	-70.22
CC(CNC(=O)CC1=CC=CC(C(N)=O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750892	0	46	-1.0	-55.05	409.51	-2.17	-57.22
CC(CNC(=O)C1CC(C)(C(C)(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750893	0	54	-1.0	-44.87	422.89	1.70	-43.17
CCC1=NNC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750894	0	41	-1.0	-50.71	371.62	-1.73	-52.44
CCC1=NN=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024750894	1	41	-1.0	-50.71	371.62	-1.73	-52.44
CC(CNC(=O)C(F)(F)C(O)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750895	0	43	-1.0	-45.75	388.24	-2.22	-47.97
C#CCC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCCCO1	REAL300024750896	0	48	-1.0	-45.22	403.75	0.62	-44.60
CC(CNC(=O)CC1(O)CCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750897	0	44	-1.0	-47.93	375.48	-3.89	-51.82
CCOC1=CC=C(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024750898	0	48	-1.0	-51.17	419.83	-0.36	-51.53
CSC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024750899	0	45	-1.0	-45.53	395.89	0.33	-45.20
CC(CNC(=O)C1=CC(C2CCC2)=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750900	0	49	-1.0	-46.69	418.32	0.63	-46.06
CC(CNC(=O)CC1CCC(C)(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750901	0	52	-1.0	-46.26	424.30	-1.24	-47.50
CC(CNC(=O)C1(C)CC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750902	0	45	-1.0	-45.20	374.91	0.34	-44.86
CC(CNC(=O)C1=CC=C(CN=[N+]=[N-])O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750903	0	41	-1.0	-48.83	386.61	-4.14	-52.97
CC(CNC(=O)CC1=NC=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750904	0	41	-1.0	-53.87	370.25	-0.89	-54.76
CC(CNC(=O)CCC1=CC=C(Cl)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750905	0	44	-1.0	-48.67	408.07	0.51	-48.16
CC(CNC(=O)[C@@H]1CSCC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750906	0	41	-1.0	-50.49	374.70	-3.28	-53.77
CC(CNC(=O)[C@H]1C[C@@H](C)O[C@@H](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750907	0	49	-1.0	-46.33	409.64	-0.24	-46.57
CC(C)N1C=CN=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750908	0	45	-1.0	-48.68	392.34	0.33	-48.35
CC(CNC(=O)C(C)N1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750909	0	52	0.0	-67.60	416.01	-2.43	-70.03
CC(CNC(=O)C(C)[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750909	1	52	0.0	-67.60	416.01	-2.43	-70.03
CC(CNC(=O)COC1(C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750910	0	49	-1.0	-48.23	408.55	0.84	-47.39
CC(CNC(=O)C1=CC=C(C2CCC2)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750911	0	48	-1.0	-47.82	411.16	1.12	-46.70
CC(CNC(=O)C1CCC2=CNN=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750912	0	43	-1.0	-47.45	376.67	-1.45	-48.90
CNC(=O)CCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750913	0	42	-1.0	-50.16	374.56	-3.60	-53.76
CC(CNC(=O)C1=CC=C(C2(C)CC2)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750914	0	49	-1.0	-46.06	416.78	2.87	-43.19
CC(CNC(=O)C1=CC=C(CC2CC2)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750915	0	46	-1.0	-45.78	417.40	2.54	-43.24
CC(CNC(=O)CCC1=CON=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750916	0	41	-1.0	-49.05	371.34	-0.73	-49.78
COC1=CN(C)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024750917	0	46	-1.0	-60.20	400.25	-0.39	-60.59
CC(CNC(=O)CC1=CSN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750918	0	38	-1.0	-49.45	359.47	-1.29	-50.74
CC(CNC(=O)C1CCCC12CCOCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750919	0	53	-1.0	-46.02	421.13	0.32	-45.70
CCC1=NN(C)C(CC)=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750920	0	51	-1.0	-49.55	441.58	0.58	-48.97
C=CCC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024750921	0	48	0.0	-64.14	394.20	0.28	-63.86
CC(CNC(=O)[C@]1(F)C[C@H]1C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750922	0	46	-1.0	-46.57	407.76	2.40	-44.17
CC(CNC(=O)C1=CC=C(C(O)CF)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750923	0	46	-1.0	-49.21	407.60	-1.20	-50.41
CC(CNC(=O)CCCCF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750924	0	41	-1.0	-46.67	364.53	-0.23	-46.90
CC(CNC(=O)C=C1CCCCC1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750925	0	52	-1.0	-44.85	418.17	2.02	-42.83
CC(CNC(=O)C1(S(N)(=O)=O)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750926	0	44	-1.0	-50.92	393.71	-5.55	-56.47
CC(CNC(=O)C1=CC2=C(SC=C2)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750927	0	39	-1.0	-46.71	379.84	0.85	-45.86
CC(CNC(=O)C=CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750928	0	37	-1.0	-48.79	339.62	-4.67	-53.46
CCC(O)C(F)(F)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750929	0	42	-1.0	-45.56	375.92	-2.06	-47.62
CC(CNC(=O)C1CCCC2=NC=NN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750930	0	45	-1.0	-49.00	388.79	0.76	-48.24
CC(CNC(=O)C1(CO)CCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750931	0	44	-1.0	-47.49	380.30	-4.70	-52.19
CC(CNC(=O)C1CC(OC(F)(F)F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750932	0	43	-1.0	-45.68	393.88	-1.07	-46.75
CC(CNC(=O)C(C)(C)C1(O)CCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750933	0	50	-1.0	-47.17	406.31	-3.34	-50.51
CCC(C)CC(C)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750934	0	50	-1.0	-45.25	409.50	1.31	-43.94
CC(CNC(=O)CC1CCCC2(CCC2)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750935	0	53	-1.0	-47.90	434.85	1.87	-46.03
C#CCC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCOC1	REAL300024750936	0	45	-1.0	-45.85	382.70	-0.64	-46.49
COC1=CN=CC(C=CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750937	0	46	-1.0	-49.11	409.31	-0.94	-50.05
CC(CNC(=O)C1CC(C)(C)C[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750938	0	51	0.0	-65.45	410.41	0.51	-64.94
CC(CNC(=O)C1CC(C)(C)C[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750938	1	50	-1.0	-46.21	415.67	-1.43	-47.64
CC(CNC(=O)C1CC(C)(C)CN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750938	1	50	-1.0	-46.21	415.67	-1.43	-47.64
CC(CNC(=O)C(F)N1C=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750939	0	39	-1.0	-53.46	361.70	-1.57	-55.03
CC(CNC(=O)CC1(CO)CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750940	0	52	-1.0	-45.96	412.20	-1.63	-47.59
CC1=NC2=C(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)C=NN2C=C1	REAL300024750941	0	44	-1.0	-57.09	396.28	-0.07	-57.16
CC(CNC(=O)CCCCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750942	0	53	0.0	-69.49	437.39	1.71	-67.78
COC1=CC=NC(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750943	0	44	-1.0	-51.25	397.26	-3.44	-54.69
CC(CNC(=O)CN1OC(C)(C)CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750944	0	47	-1.0	-52.68	412.41	-1.47	-54.15
CNC(=O)N1CCC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024750945	0	51	-1.0	-53.42	425.54	-1.65	-55.07
CC(CNC(=O)C1=NNC(C(F)(F)F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750946	0	41	-1.0	-47.00	381.86	-2.91	-49.91
CC(CNC(=O)CC1=CN=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750947	0	38	-1.0	-51.82	350.38	-4.08	-55.90
CC(CNC(=O)CC12CCC(CC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750948	0	49	-1.0	-45.36	398.51	1.64	-43.72
CC(CNC(=O)C[C@@H]1CC=CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750949	0	46	-1.0	-45.83	386.87	1.26	-44.57
CC(=CC1=CC=CS1)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750950	0	43	-1.0	-46.18	384.88	0.97	-45.21
COCCOCC=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750951	0	47	-1.0	-49.76	417.36	-2.04	-51.80
CC(CNC(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750952	0	45	-1.0	-46.82	384.20	-1.75	-48.57
CC(CNC(=O)CN1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750952	1	45	-1.0	-46.82	384.20	-1.75	-48.57
CCCC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N=NN1CC	REAL300024750953	0	50	-1.0	-50.37	432.76	-0.42	-50.79
CC(CNC(=O)C(C)C(C)N1C=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750954	0	48	-1.0	-47.88	408.58	0.32	-47.56
CC(CNC(=O)C1=C2COCCC2=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750955	0	47	-1.0	-49.70	409.93	-1.97	-51.67
CC(CNC(=O)[C@H]1C[C@H](N2C=CN=N2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750956	0	45	-1.0	-52.10	392.51	-1.32	-53.42
CC(CNC(=O)[C@H]1CCCC[C@H]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750957	0	57	-1.0	-43.45	428.20	2.62	-40.83
CC(CNC(=O)CC1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750958	0	46	-1.0	-45.73	388.48	1.46	-44.27
CC(CNC(=O)C1=NOC(CF)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750959	0	38	-1.0	-48.99	357.55	-1.39	-50.38
CC(CNC(=O)C1=CC=CC=C1C(C)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750960	0	45	-1.0	-51.13	392.46	1.85	-49.28
CC(CNC(=O)C1=CN(C2CCOC2)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750961	0	47	-1.0	-50.41	410.93	-0.55	-50.96
CC(CNC(=O)C1=CN2N=NC=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750962	0	41	-1.0	-52.00	372.14	-1.11	-53.11
CCCC1=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=NN1C	REAL300024750963	0	48	-1.0	-48.80	418.82	0.17	-48.63
CC(CNC(=O)[C@@H]1CC[C@H]1C(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750964	0	42	-1.0	-47.25	373.53	0.19	-47.06
CC(CNC(=O)[C@H]1CCC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750965	0	46	-1.0	-45.16	396.25	2.13	-43.03
CC(CNC(=O)C1CCC2CC2CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750966	0	49	-1.0	-45.05	390.09	1.60	-43.45
CC(CNC(=O)C1=CC=CN2N=CN=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750967	0	41	-1.0	-51.85	371.43	1.37	-50.48
CC(CNC(=O)C=CC1=CC=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750968	0	43	-1.0	-47.32	391.29	1.64	-45.68
CC(CNC(=O)C1=CC=CC=C1CN=[N+]=[N-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750969	0	44	-1.0	-46.21	395.49	-2.22	-48.43
CSC1=CC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024750970	0	43	-1.0	-46.36	390.38	1.39	-44.97
CC1=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C(C)N1C1CC1	REAL300024750971	0	50	-1.0	-47.99	426.07	2.47	-45.52
CC1=NNC(C)=C1SCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750972	0	46	-1.0	-50.13	419.72	-0.76	-50.89
CC(CNC(=O)CCCCCNC(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750973	0	50	-1.0	-53.43	433.17	-4.03	-57.46
CC(CNC(=O)C1=CC=C([N+](=O)[O-])N1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750974	0	42	-1.0	-48.15	381.25	1.27	-46.88
CC(CNC(=O)C(C)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750975	0	45	-1.0	-46.88	390.87	1.60	-45.28
CC(CNC(=O)C[N-]C(=O)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750976	0	39	-1.0	-47.73	372.78	-3.85	-51.58
CC(CNC(=O)CNC(=O)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750976	1	39	-1.0	-47.73	372.78	-3.85	-51.58
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)C1=NN(CCO)C(=O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750978	0	47	-1.0	-49.36	415.19	-4.88	-54.24
CC(CNC(=O)COCC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750979	0	39	-1.0	-51.48	369.10	-1.15	-52.63
CC1=CC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(Cl)=N1	REAL300024750980	0	41	-1.0	-48.84	379.60	-0.33	-49.17
CC(CNC(=O)CSCC(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750981	0	40	-1.0	-56.23	375.49	-4.52	-60.75
CCCCSCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750982	0	45	-1.0	-47.38	402.47	0.99	-46.39
CC(CNC(=O)C1=CC=CC(F)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750983	0	38	-1.0	-49.04	353.97	-1.38	-50.42
COC(C)(C)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750984	0	42	-1.0	-48.30	359.40	-1.38	-49.68
CC(CNC(=O)C1=NC=CN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750985	0	37	-1.0	-48.54	355.02	-2.75	-51.29
CC(CNC(=O)C1C[N@@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750986	0	51	0.0	-67.74	396.25	-1.53	-69.27
CC(CNC(=O)C1C[N@H+]2CCN1C(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750986	1	51	0.0	-67.74	396.25	-1.53	-69.27
CCCC(C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024750987	0	50	0.0	-66.00	402.44	0.57	-65.43
CC(CNC(=O)C=CC1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750988	0	47	-1.0	-46.87	402.99	-0.42	-47.29
CSC1=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1F	REAL300024750989	0	43	-1.0	-47.51	396.26	1.43	-46.08
CC(CNC(=O)C1=NN(C)C=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750990	0	41	-1.0	-53.98	379.75	-0.21	-54.19
CC1=CN=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024750991	0	40	-1.0	-46.85	363.98	-2.58	-49.43
CC(CNC(=O)C(C)(C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750992	0	47	0.0	-66.09	377.77	-0.01	-66.10
CC(CNC(=O)C(F)(F)CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750993	0	36	-1.0	-47.75	336.32	-3.69	-51.44
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=CC(=O)N1	REAL300024750994	0	42	-1.0	-50.67	371.02	-2.05	-52.72
CC(CNC(=O)C1=CNC2=CC=CC(F)=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750995	0	43	-1.0	-54.57	386.16	0.44	-54.13
CC(CNC(=O)C(F)(F)C1=CN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750996	0	42	-1.0	-49.33	389.03	-1.03	-50.36
CC(CNC(=O)CCCCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750997	0	42	-1.0	-47.64	369.36	-3.71	-51.35
CC1=CN=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1Cl	REAL300024750998	0	41	-1.0	-47.82	377.04	-0.33	-48.15
CCCC1=NN(C)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024750999	0	48	-1.0	-46.89	415.50	0.24	-46.65
CC(CNC(=O)C1=CN=C(F)C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751000	0	38	-1.0	-47.57	358.04	-1.41	-48.98
CC(CNC(=O)C1=CC=NC(F)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751001	0	38	-1.0	-50.60	356.47	-1.38	-51.98
CC(CNC(=O)[C@H](O)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751002	0	43	-1.0	-47.03	382.54	-0.86	-47.89
CC(CNC(=O)C=CC1(C)CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751003	0	50	-1.0	-46.63	412.57	-0.26	-46.89
CC(CNC(=O)C1CCOC2(CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751004	0	50	-1.0	-46.42	411.83	0.10	-46.32
CC(CNC(=O)C1=CC([N+](=O)[O-])=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751005	0	38	-1.0	-50.08	362.65	-1.46	-51.54
CC(CNC(=O)CN1C=NC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751006	0	45	-1.0	-54.59	402.67	2.12	-52.47
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C=NO1	REAL300024751007	0	38	-1.0	-47.19	347.28	-1.38	-48.57
CC(CNC(=O)C1=CC2=CC=CC=C2OC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751008	0	45	-1.0	-48.56	396.20	0.90	-47.66
CC1=NC(SCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024751009	0	42	-1.0	-52.86	392.74	-1.01	-53.87
CC1=NN=C(SCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024751009	1	42	-1.0	-49.07	393.19	-1.33	-50.40
CC1=NNC(SCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024751009	1	42	-1.0	-49.07	393.19	-1.33	-50.40
CC(CNC(=O)C=C1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751010	0	49	-1.0	-44.93	406.42	1.81	-43.12
CC(CNC(=O)C(C)OC1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751011	0	49	-1.0	-48.11	414.38	1.18	-46.93
CCC1=C(C)SC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751012	0	45	-1.0	-45.92	398.71	1.42	-44.50
CC1=CC=NC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024751013	0	41	-1.0	-47.38	369.04	-0.66	-48.04
CC(CNC(=O)C(C)OCC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751014	0	49	-1.0	-49.70	429.22	2.15	-47.55
CC(CNC(=O)C1CNC(=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751015	0	40	-1.0	-51.46	355.48	-4.34	-55.80
CC(CNC(=O)CC1CCCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751016	0	51	-1.0	-45.10	408.60	1.72	-43.38
CC(CNC(=O)C(C)SC1=NC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751017	0	44	-1.0	-50.56	402.18	0.05	-50.51
CCCCSC(C)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751018	0	48	-1.0	-47.00	420.92	1.54	-45.46
CC(CNC(=O)C1=CN(CCO)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751019	0	42	-1.0	-50.95	384.40	-5.79	-56.74
CC(CNC(=O)COC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751020	0	36	-1.0	-47.89	346.01	-1.97	-49.86
CC1=CC=C2C(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)=CNC2=C1	REAL300024751021	0	46	-1.0	-51.09	404.12	1.03	-50.06
CC(CNC(=O)C1=CNC2=CC(F)=CC=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751022	0	43	-1.0	-49.98	389.15	0.44	-49.54
CC(CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751023	0	39	-1.0	-54.57	351.19	-6.47	-61.04
CC(=CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1F	REAL300024751024	0	46	-1.0	-47.42	410.87	2.44	-44.98
CC(CNC(=O)C1=CN=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751025	0	35	-1.0	-46.76	337.50	-2.47	-49.23
CC1=NN(CCO)C=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751026	0	46	-1.0	-49.67	406.42	-3.76	-53.43
CC(CNC(=O)C1=CC(=O)NC(N(C)C)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751027	0	46	-1.0	-49.99	406.02	-0.33	-50.32
CC(CNC(=O)C1=CN=C(N(C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751028	0	43	-1.0	-47.31	387.51	-3.30	-50.61
COC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024751029	0	49	-1.0	-44.22	395.90	-0.56	-44.78
CC(CNC(=O)C1(C2CCC(C)CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751030	0	55	-1.0	-44.70	440.74	3.30	-41.40
CC(CNC(=O)C=CCN1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751031	0	49	-1.0	-47.44	418.12	-2.78	-50.22
CC(CNC(=O)C1=NOC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751032	0	41	-1.0	-49.69	375.66	-0.33	-50.02
CC(CNC(=O)C(F)(F)CC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751033	0	42	-1.0	-44.93	378.68	0.54	-44.39
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
CC1=CC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024751035	0	40	-1.0	-46.94	359.36	-1.25	-48.19
CC(CNC(=O)C1(Br)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751036	0	36	-1.0	-44.86	344.96	-0.48	-45.34
CC(CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751037	0	48	0.0	-64.08	392.49	0.40	-63.68
CC(CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751037	1	47	-1.0	-45.73	389.52	-1.80	-47.53
CC(CNC(=O)C1CCCCN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751037	1	47	-1.0	-45.73	389.52	-1.80	-47.53
CC(CNC(=O)C1=CC=NN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751038	0	37	-1.0	-50.02	353.33	-2.00	-52.02
CC(CNC(=O)C(O)C1=CC=CC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751039	0	43	-1.0	-47.51	399.79	-0.37	-47.88
CC1=NNC(=O)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024751040	0	41	-1.0	-50.22	369.31	-3.20	-53.42
CC(CNC(=O)C1=NC2=CC=CNC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751041	0	42	-1.0	-61.26	380.30	-1.46	-62.72
CC(CNC(=O)C1(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751042	0	40	-1.0	-48.22	357.88	-3.99	-52.21
CC(CNC(=O)C1=C2C(=NN1)N=CNC2=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751043	0	41	-1.0	-59.02	374.87	-1.84	-60.86
CC(CNC(=O)C(C)C1=CC(F)=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751044	0	45	-1.0	-46.96	403.71	1.74	-45.22
CC(CNC(=O)C(C)(C)OCC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751045	0	45	-1.0	-50.22	400.83	0.02	-50.20
COC1=CC=CC(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024751046	0	45	-1.0	-51.64	400.60	-1.95	-53.59
C=CC1(C2(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)CCC2)CCC1	REAL300024751047	0	53	-1.0	-45.03	428.64	2.36	-42.67
CC(CNC(=O)C1=NC(C(C)(C)C)=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751048	0	47	-1.0	-50.06	410.93	-0.70	-50.76
CC(CNC(=O)C1=NN=C(C(C)(C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751048	1	47	-1.0	-50.06	410.93	-0.70	-50.76
CC(CNC(=O)CCC(F)(F)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300024751049	0	43	-1.0	-53.10	399.00	-4.06	-57.16
CC(CNC(=O)CCC(F)(F)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)[N-]N1	REAL300024751049	1	43	-1.0	-53.10	399.00	-4.06	-57.16
CC(CNC(=O)C1(C)CCC(F)(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751050	0	45	-1.0	-46.09	387.87	0.60	-45.49
CCC1=CNC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751051	0	43	-1.0	-49.17	378.07	-0.31	-49.48
CC(CNC(=O)[C@@H]1CCC[C@H]1CF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751052	0	45	-1.0	-46.48	386.23	0.67	-45.81
CC(CNC(=O)C1=NOC(C2CCC2)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751053	0	45	-1.0	-47.19	399.19	0.57	-46.62
CC(CNC(=O)[C@@H]1CCC[C@H]1C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751054	0	45	-1.0	-45.71	394.64	0.97	-44.74
CC(C)[C@@H](O)[C@@H](C)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751055	0	48	-1.0	-44.69	395.22	-1.09	-45.78
CC(CNC(=O)C1(F)C2CCCCC21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751056	0	46	-1.0	-45.06	387.97	1.23	-43.83
CC(CNC(=O)C1=C2C=CC=CC2=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751057	0	41	-1.0	-49.61	374.94	0.03	-49.58
CC(CNC(=O)C12CCC(C)(CC1)OC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751058	0	50	-1.0	-46.32	407.67	-0.18	-46.50
CCC1=NC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024751059	0	44	-1.0	-51.38	389.16	-1.61	-52.99
CC(CNC(=O)CN1C=C(C2CCC2)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751060	0	48	-1.0	-56.67	416.44	-0.27	-56.94
COC1=CN=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024751061	0	42	-1.0	-48.48	374.88	-2.12	-50.60
CC(CNC(=O)C1C[C@@H]2[C@H](C1)C2(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751062	0	43	-1.0	-46.64	379.64	0.80	-45.84
CC(CNC(=O)CC1(O)COC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751063	0	50	-1.0	-47.83	416.52	-2.73	-50.56
CC(CNC(=O)C1=CNC2=C1C(=O)NC=N2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751064	0	42	-1.0	-62.55	379.76	-0.47	-63.02
CC(CNC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751065	0	47	-1.0	-46.68	384.34	-0.87	-47.55
CC1=NC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C2CCCCN12	REAL300024751066	0	49	-1.0	-50.67	416.14	1.08	-49.59
COC1(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024751067	0	43	-1.0	-48.37	375.60	-0.29	-48.66
CC1=CC2=C(C=C(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)N2)O1	REAL300024751068	0	43	-1.0	-49.07	386.43	-0.79	-49.86
CC(CNC(=O)CC1=NN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751069	0	41	-1.0	-52.77	371.09	-2.70	-55.47
CC(CNC(=O)C1(C2CCCCO2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751070	0	50	-1.0	-45.59	413.73	0.71	-44.88
CC(CNC(=O)CN1N=CC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751071	0	41	-1.0	-53.27	380.17	-4.90	-58.17
CC(CNC(=O)CN1N=CC(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751071	1	41	-1.0	-53.27	380.17	-4.90	-58.17
CC(CNC(=O)CC1CC1(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751072	0	39	-1.0	-48.69	357.93	-0.23	-48.92
CC(CNC(=O)CC1C=CS(=O)(=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751073	0	43	-1.0	-55.51	388.64	-3.53	-59.04
COC1=CN=NC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024751074	0	41	-1.0	-49.17	372.38	-3.18	-52.35
CC(CNC(=O)C1=CC=C(C2CC2)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751075	0	46	-1.0	-52.57	402.14	-0.17	-52.74
CC(CNC(=O)C(C)CN1C=CN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751076	0	45	-1.0	-48.94	392.69	0.87	-48.07
CC(CNC(=O)C1=C(F)C=CC2=NNC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751077	0	42	-1.0	-50.79	387.40	-1.01	-51.80
CCC1=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=NN1CCO	REAL300024751078	0	49	-1.0	-49.62	430.55	-3.10	-52.72
CC(CNC(=O)C1=CC(=O)NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751079	0	38	-1.0	-53.20	352.49	-2.79	-55.99
CCCN1C=CC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024751080	0	45	-1.0	-49.31	398.77	-0.23	-49.54
CC1=CC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N=C1F	REAL300024751081	0	41	-1.0	-48.95	374.33	-0.76	-49.71
COC1=C(Cl)C=CC=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751082	0	43	-1.0	-47.95	395.55	1.52	-46.43
CC(CNC(=O)C1=CC=C(CO)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751083	0	42	-1.0	-49.24	380.40	-4.03	-53.27
CC(CNC(=O)CC1=CC[N@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751084	0	49	0.0	-67.16	409.66	1.13	-66.03
CC(CNC(=O)CC1=CC[N@@H+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751084	1	49	0.0	-67.16	409.66	1.13	-66.03
CC[C@H](C)[C@H](O)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751085	0	45	-1.0	-45.38	378.70	-2.78	-48.16
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)C=N1	REAL300024751086	0	44	-1.0	-53.50	385.08	-0.17	-53.67
COCC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024751087	0	47	-1.0	-46.53	402.55	-2.32	-48.85
CC(CNC(=O)C1CCC(=C(F)F)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751088	0	46	-1.0	-46.57	398.52	1.25	-45.32
CC(CNC(=O)C1CC2=NC=CN=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751089	0	44	-1.0	-50.42	386.83	-1.56	-51.98
CC(CNC(=O)C12COC(C=CC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751090	0	45	-1.0	-46.60	382.01	-1.07	-47.67
CC(CNC(=O)CCCC(F)(F)CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751091	0	45	-1.0	-50.94	400.87	-2.74	-53.68
CC(CNC(=O)C(C1CC1)C1CCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751092	0	50	-1.0	-46.40	416.70	1.55	-44.85
CC(CNC(=O)CC1([NH+]2CCCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751093	0	52	0.0	-64.41	414.52	1.47	-62.94
CC(CNC(=O)CC1CCC(C)C(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751094	0	54	-1.0	-45.17	432.84	2.43	-42.74
C#CCC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024751095	0	47	-1.0	-44.92	395.85	2.05	-42.87
CC(CNC(=O)C1=C2N=CC=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751096	0	42	-1.0	-56.61	379.27	1.14	-55.47
CC1=NN(C2CCC2)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024751097	0	49	-1.0	-47.12	420.10	0.91	-46.21
CC(CNC(=O)CC1=COC(C(F)F)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751098	0	41	-1.0	-55.31	384.68	-3.17	-58.48
CC(C)C1=CC=C(F)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024751099	0	48	-1.0	-47.99	415.05	2.37	-45.62
CC(CNC(=O)CC(C(F)F)C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751100	0	50	-1.0	-45.38	407.49	1.00	-44.38
CC(CNC(=O)CC1=CN(C(C)(C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751101	0	51	-1.0	-50.72	437.72	0.88	-49.84
CC(CNC(=O)[C@]12C[C@H]1[C@H](O)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751102	0	41	-1.0	-49.11	365.31	-3.34	-52.45
COCC1=CC=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024751103	0	44	-1.0	-47.53	391.90	-2.12	-49.65
CC(CNC(=O)C12CCCCC1C2(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751104	0	46	-1.0	-46.26	391.36	1.21	-45.05
CCCOCCCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751105	0	48	-1.0	-47.71	413.47	-0.31	-48.02
CC(CNC(=O)C(F)C1(O)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751106	0	46	-1.0	-48.15	395.52	-2.64	-50.79
COC1=CC=CC(CCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024751107	0	48	-1.0	-48.43	422.76	-1.37	-49.80
CC(CNC(=O)C1CCOCC1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751108	0	49	-1.0	-45.39	394.83	-0.74	-46.13
CC1=CC(CCC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(C)=N1	REAL300024751109	0	50	-1.0	-48.55	434.46	1.33	-47.22
CC(CNC(=O)C1=C2N(C)C=CN2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751110	0	43	-1.0	-53.89	381.85	0.44	-53.45
CC(CNC(=O)C=CC1=CN=CNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751111	0	42	-1.0	-55.75	381.85	-1.49	-57.24
C=CC1(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024751112	0	50	-1.0	-45.43	403.07	-0.49	-45.92
CC(CNC(=O)C12CC(CO)(C1)OC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751113	0	48	-1.0	-49.42	410.26	-4.22	-53.64
CC1=C2C=C(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)N=CC2=NN1	REAL300024751114	0	44	-1.0	-51.81	395.67	-2.01	-53.82
CC(CNC(=O)C1CCCC2C1C2(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751115	0	46	-1.0	-45.96	392.39	1.33	-44.63
CC1=C(C)NC(=O)C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024751116	0	45	-1.0	-53.45	391.73	-1.24	-54.69
CC(CNC(=O)C1=CON=C1C1CC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751117	0	45	-1.0	-48.76	398.13	0.66	-48.10
CC(CNC(=O)C1CC=CC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751118	0	47	-1.0	-48.24	405.95	2.61	-45.63
CC1=CC=NC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024751119	0	40	-1.0	-50.80	364.84	-1.53	-52.33
CCCC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)OC=N1	REAL300024751120	0	44	-1.0	-47.43	390.31	-2.78	-50.21
CC(CNC(=O)C1COC2=CC=C(F)C=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751121	0	44	-1.0	-48.69	393.52	0.11	-48.58
CC(CNC(=O)C1CCC2=CC=NN2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751122	0	46	-1.0	-50.21	395.75	-0.36	-50.57
CC(CNC(=O)CCCCCF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751123	0	44	-1.0	-47.42	386.03	0.55	-46.87
CC(CNC(=O)CC1OCCCC1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751124	0	52	-1.0	-47.01	418.66	0.80	-46.21
CC(CNC(=O)C1CCCCC12CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751125	0	52	-1.0	-44.67	412.74	2.47	-42.20
CC1=CC=CN2N=CC(C(=O)NCC(C)NC(=O)CSC3=NNC(=O)[N-]3)=C12	REAL300024751126	0	45	-1.0	-51.60	391.03	0.79	-50.81
CC(CNC(=O)C1=NOC(C(C)(C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751127	0	49	-1.0	-46.99	415.04	-0.53	-47.52
CCC(C)(C)C(C)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751128	0	53	-1.0	-44.98	415.38	1.33	-43.65
CC(CNC(=O)C1(F)CCCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751129	0	43	-1.0	-46.86	372.72	-1.74	-48.60
CC(CNC(=O)C=CCOCC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751130	0	43	-1.0	-49.99	403.30	-0.84	-50.83
C#CC[C@]1(O)C[C@@H](C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024751131	0	45	-1.0	-48.86	395.67	-0.85	-49.71
CC(CNC(=O)C1CC2(CC2F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751132	0	43	-1.0	-46.82	380.83	0.83	-45.99
COC(F)C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751133	0	36	-1.0	-48.64	333.57	-3.08	-51.72
CC(CNC(=O)C1=CC=C(C(C)(C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751134	0	50	-1.0	-47.75	424.54	1.20	-46.55
CCC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)ON=C1	REAL300024751136	0	41	-1.0	-46.99	369.31	-0.75	-47.74
CC(CNC(=O)C1CN(CC(F)F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751137	0	44	-1.0	-51.10	389.80	-3.14	-54.24
CC1=C(CC(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300024751138	0	42	-1.0	-47.35	384.34	0.76	-46.59
CC(CNC(=O)C(F)(F)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751139	0	45	-1.0	-46.14	406.60	1.98	-44.16
CC1=CC(Cl)=NC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024751140	0	41	-1.0	-47.47	385.92	-0.23	-47.70
CCC(C)CCC(O)CC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751141	0	54	-1.0	-48.09	445.91	-0.04	-48.13
COC1=CC=CC(C)=C1C(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751142	0	46	-1.0	-48.65	402.78	0.13	-48.52
CC(CNC(=O)C1=CN(C2CC2)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751143	0	42	-1.0	-50.76	381.24	-1.77	-52.53
CC(CNC(=O)COC1=NOC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751144	0	39	-1.0	-51.82	361.77	-2.92	-54.74
CC(CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751145	0	57	0.0	-68.90	440.53	1.92	-66.98
CC(CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024751145	1	57	0.0	-69.71	432.88	1.46	-68.25
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
CCC1(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)CCC(O)CC1	REAL300024751147	0	52	-1.0	-45.64	414.35	-1.72	-47.36
CC1=COC(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024751148	0	42	-1.0	-46.78	373.83	-0.25	-47.03
CC1=CSC(C(C)C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024751149	0	44	-1.0	-48.53	398.99	-0.64	-49.17
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(CO1)CCC2	REAL300024756492	0	47	-1.0	-46.09	386.61	-0.73	-46.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(=O)CC12CCC2	REAL300024756493	0	48	-1.0	-52.44	405.48	0.72	-51.72
COCC1=NOC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024756494	0	41	-1.0	-49.83	379.54	-5.15	-54.98
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC(O)C12CCC2	REAL300024756495	0	50	-1.0	-48.66	417.38	-1.58	-50.24
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2	REAL300024756496	0	42	-1.0	-48.70	384.05	-3.31	-52.01
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCC(=O)N21	REAL300024756497	0	47	-1.0	-56.14	400.59	-0.86	-57.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(F)C1=CCCCC1	REAL300024756498	0	46	-1.0	-47.82	394.98	1.27	-46.55
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(N2C=CC=C2)CCCC1	REAL300024756499	0	50	-1.0	-45.34	414.48	2.60	-42.74
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300024756500	0	52	0.0	-69.47	429.44	0.74	-68.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)C1=CC=C(F)C=C1	REAL300024756501	0	45	-1.0	-47.77	397.30	1.70	-46.07
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2(CC(F)C2)C1	REAL300024756502	0	46	-1.0	-47.15	397.17	1.32	-45.83
CCN1N=CN=C1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024756503	0	41	-1.0	-46.43	368.22	-0.30	-46.73
CC1=CC(N)=C(C)N=C1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024756504	0	46	-1.0	-47.60	396.61	-2.05	-49.65
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)CC1=CN(C)C=N1	REAL300024756505	0	46	-1.0	-51.43	408.52	-0.97	-52.40
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCCC1C2(F)F	REAL300024756506	0	43	-1.0	-48.57	379.72	0.82	-47.75
CCOC1(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024756507	0	49	-1.0	-48.19	401.83	0.84	-47.35
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCOC(C)(C)C1	REAL300024756508	0	49	-1.0	-47.01	401.95	-0.62	-47.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(F)(F)C1CC1	REAL300024756509	0	39	-1.0	-44.45	355.81	-0.25	-44.70
CC(=O)OC1(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024756510	0	42	-1.0	-48.16	379.69	-0.31	-48.47
CCOC1=C(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)N=C(C)O1	REAL300024756511	0	45	-1.0	-49.23	405.29	-2.46	-51.69
CCCCC[C@H](O)CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024756512	0	51	-1.0	-49.09	431.61	-0.44	-49.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C2CCCCC2=C1	REAL300024756513	0	48	-1.0	-47.70	408.32	1.08	-46.62
CC(=O)OC(C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024756514	0	41	-1.0	-49.03	384.64	0.22	-48.81
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCCO	REAL300024756515	0	40	-1.0	-52.70	360.90	-4.72	-57.42
CC(=O)C1=CN(CC(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024756516	0	43	-1.0	-56.75	394.97	-2.39	-59.14
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NOC(C)(C)C1	REAL300024756517	0	43	-1.0	-46.59	380.70	-1.66	-48.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC=C(F)C=N1	REAL300024756518	0	37	-1.0	-47.90	349.59	-2.05	-49.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)CF	REAL300024756519	0	41	-1.0	-45.39	358.38	-0.59	-45.98
CC(C)[C@@H](O)CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024756520	0	45	-1.0	-48.88	381.56	-2.04	-50.92
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C2SC=CC2=C1	REAL300024756521	0	41	-1.0	-49.21	382.28	-0.13	-49.34
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C([N+](=O)[O-])C=NN1	REAL300024756522	0	38	-1.0	-51.95	355.91	-1.50	-53.45
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC=C1[N+](=O)[O-]	REAL300024756522	1	38	-1.0	-54.51	356.94	-1.53	-56.04
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C(O)=C1	REAL300024756523	0	40	-1.0	-49.00	367.56	-2.37	-51.37
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)C1CC(=O)N(C2CC2)C1	REAL300024756524	0	47	-1.0	-52.71	404.04	-0.39	-53.10
C=CCNC1=NC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024756525	0	44	-1.0	-45.99	409.55	-1.16	-47.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)CO	REAL300024756526	0	42	-1.0	-46.40	362.73	-3.88	-50.28
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=CSC1=[NH2+]	REAL300024756527	0	41	0.0	-64.72	377.60	-1.00	-65.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC=C2OCOC2=C1	REAL300024756528	0	45	-1.0	-52.33	401.02	-0.27	-52.60
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CSCC1=O	REAL300024756529	0	41	-1.0	-52.34	379.24	-1.55	-53.89
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(CO)=C1	REAL300024756530	0	43	-1.0	-49.87	383.15	-2.29	-52.16
C=CCC(C)C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024756531	0	42	-1.0	-45.83	367.12	0.00	-45.83
CC1=CC=CC(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024756532	0	44	-1.0	-45.82	379.16	-0.62	-46.44
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=C2NCCCC2=C1	REAL300024756534	0	48	-1.0	-48.27	408.16	0.41	-47.86
CSCC1=CC=C(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024756535	0	43	-1.0	-47.94	401.20	0.46	-47.48
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
CC1=CC=CC(N)=C1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024756537	0	44	-1.0	-46.90	386.94	-1.33	-48.23
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)C(F)(F)C(F)(F)F	REAL300024756538	1	35	-1.0	-44.51	344.44	-1.32	-45.83
CCSC1=CC=CC=C1C(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024756539	0	46	-1.0	-48.26	407.52	2.27	-45.99
COC1=CC=C(O)C(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024756540	0	44	-1.0	-48.82	388.63	-1.77	-50.59
CC1=CC=C(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1C	REAL300024756541	0	46	-1.0	-48.77	396.19	0.18	-48.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)NC(=O)C1=CC=CO1	REAL300024756542	0	46	-1.0	-50.39	413.10	-2.25	-52.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(CO)NC(N)=O	REAL300024756543	0	42	-1.0	-50.60	377.01	-9.45	-60.05
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(O)C=C1O	REAL300024756544	0	41	-1.0	-50.33	370.14	-3.89	-54.22
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC1=CC=CC=C1	REAL300024756545	0	43	-1.0	-48.98	393.48	1.53	-47.45
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C=CCC(C)(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024787289	0	51	0.0	-76.73	402.43	2.77	-73.96
CC1CCOC1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787290	0	46	-1.0	-54.51	383.42	0.53	-53.98
CN(CCNC(=O)C1=CN=CC2=C1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787291	0	48	-1.0	-51.52	400.74	2.15	-49.37
CN(CCNC(=O)C1=C(Cl)CCOC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787292	0	41	-1.0	-52.87	367.93	-0.20	-53.07
CN(CCNC(=O)C1=NC=C2N=CNC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787293	0	41	-1.0	-54.86	371.21	-0.59	-55.45
CN(CCNC(=O)C1=NC=C2NC=NC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787293	1	41	-1.0	-59.20	371.21	-0.59	-59.79
CN(CCNC(=O)C(O)CC[S+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787294	0	47	0.0	-80.94	413.66	-0.47	-81.41
CN(CCNC(=O)CCC(O)C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787295	0	51	-1.0	-50.59	417.68	-0.61	-51.20
CN(CCNC(=O)[C@H]1C[C@H](N=[N+]=[N-])C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787296	0	41	-1.0	-49.96	370.04	-2.92	-52.88
CN(CCNC(=O)C1=CSC2=C1SN=N2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787297	0	37	-1.0	-56.87	365.49	-0.69	-57.56
CN(CCNC(=O)C1CCC(N=[N+]=[N-])C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787298	0	44	-1.0	-53.21	385.65	-2.34	-55.55
CN(CCNC(=O)C12CCC(CO1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787299	0	44	-1.0	-49.66	373.21	-0.30	-49.96
CN(CCNC(=O)C1C2CCC21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787300	0	40	-1.0	-51.28	346.44	1.26	-50.02
CN(CCNC(=O)C1(C)CCC(C)(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787301	0	54	-1.0	-51.10	420.73	3.01	-48.09
C=C1CCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787302	0	40	-1.0	-50.68	352.52	0.89	-49.79
C[C@H]1C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)[C@H]1C	REAL300024787304	0	42	-1.0	-51.58	361.36	1.13	-50.45
C#CCC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024787305	0	45	-1.0	-50.81	391.77	0.80	-50.01
CN(CCNC(=O)C1=CC(C2CCCC2)=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787306	0	49	-1.0	-51.55	414.71	1.00	-50.55
CN(CCNC(=O)C1CCC2(CCC2)OC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787307	0	50	-1.0	-50.65	409.85	1.19	-49.46
C[C@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024787308	0	43	-1.0	-51.59	358.15	-2.18	-53.77
C[C@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)N(C)C	REAL300024787308	1	43	-1.0	-51.59	358.15	-2.18	-53.77
CN(CCNC(=O)C=CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787309	0	43	-1.0	-52.55	382.89	2.64	-49.91
CN(CCNC(=O)C1=NOC(C(F)F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787310	0	38	-1.0	-51.22	362.14	-0.20	-51.42
CN(CCNC(=O)C(O)C1=CNC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787311	0	40	-1.0	-57.88	363.38	-2.47	-60.35
CN(CCNC(=O)C=CC=C(Cl)Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787312	0	37	-1.0	-52.20	369.96	1.39	-50.81
CCC(C)(C)C(O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787313	0	48	-1.0	-50.95	389.53	-0.06	-51.01
CN(CCNC(=O)CN1CCN2C=CN=C2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787314	0	48	-1.0	-58.70	402.21	-0.86	-59.56
CC(=O)N1CC2CC2(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787315	0	47	-1.0	-60.32	405.25	0.35	-59.97
CN(CCNC(=O)CC1CCC2(CCC2)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787316	0	50	-1.0	-55.05	417.40	2.20	-52.85
CN(CCNC(=O)C1=C2CCCCC2=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787317	0	47	-1.0	-54.22	396.21	1.71	-52.51
CN(CCNC(=O)C1=CC=NN1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787318	0	43	-1.0	-52.58	379.92	0.83	-51.75
C#CC1CC2(C1)CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024787319	0	48	-1.0	-52.73	415.75	3.43	-49.30
CN(CCNC(=O)CCC1=CC=C(CO)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787320	0	49	-1.0	-54.16	427.18	0.26	-53.90
CSC1=CN=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787321	0	41	-1.0	-49.77	383.91	-0.98	-50.75
COC1=CN=NC(OC)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787322	0	45	-1.0	-56.37	403.53	-3.87	-60.24
CC=CC=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787323	0	40	-1.0	-51.51	361.97	1.20	-50.31
CN(CCNC(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787324	0	49	0.0	-74.82	396.97	-2.06	-76.88
CN(CCNC(=O)C1(C)CC(O)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787324	1	48	-1.0	-51.66	391.17	-3.59	-55.25
CN(CCNC(=O)C1(C)CC(O)CN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787324	1	48	-1.0	-51.66	391.17	-3.59	-55.25
COCCN1C=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024787325	0	46	-1.0	-53.58	408.58	-0.89	-54.47
C[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)[C@@H](O)C(=O)N1C	REAL300024787326	0	47	-1.0	-60.13	404.49	-2.56	-62.69
CN(CCNC(=O)C=CSC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787327	0	44	-1.0	-52.22	408.67	3.20	-49.02
CN(CCNC(=O)C1=NC=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787328	0	38	-1.0	-49.50	344.43	-0.12	-49.62
CN(CCNC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787329	0	43	-1.0	-52.75	367.65	-2.31	-55.06
CN(CCNC(=O)C=CS(C)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787330	0	38	-1.0	-58.92	358.99	-2.49	-61.41
CN(CCNC(=O)C(O)C1CCCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787331	0	55	-1.0	-51.18	424.90	1.15	-50.03
CN(CCNC(=O)C1=NN2C=CNC(=O)C2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787332	0	42	-1.0	-60.91	384.54	-1.89	-62.80
CN(CCNC(=O)C1CC(C)(C)OC1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787333	0	52	-1.0	-53.88	418.30	1.02	-52.86
CN(CCNC(=O)C1=NC=C(Cl)N1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787334	0	39	-1.0	-48.70	366.10	0.26	-48.44
CN(CCNC(=O)[C@@H]1CC=CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787335	0	43	-1.0	-50.89	366.40	1.60	-49.29
COCC=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787336	0	40	-1.0	-53.76	360.16	-1.19	-54.95
CC1=CC2=C(C=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)N2)S1	REAL300024787337	0	43	-1.0	-53.21	394.08	1.25	-51.96
CN(CCNC(=O)C1CN(C)CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787338	0	53	0.0	-70.72	418.94	0.04	-70.68
CN(CCNC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787338	1	53	0.0	-70.72	418.94	0.04	-70.68
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[N@@H+]1CCCC(O)C1	REAL300024787339	0	52	0.0	-69.88	419.43	-1.24	-71.12
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[N@H+]1CCCC(O)C1	REAL300024787339	1	51	-1.0	-52.79	411.84	-3.68	-56.47
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)N1CCCC(O)C1	REAL300024787339	1	51	-1.0	-52.79	411.84	-3.68	-56.47
CN(CCNC(=O)C1=CC=CC2=NON=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787340	0	40	-1.0	-62.89	364.62	0.29	-62.60
CN(CCNC(=O)CCOC1COC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787341	0	44	-1.0	-51.80	386.56	-2.23	-54.03
CN(CCNC(=O)C1C[NH+](C2CCOC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787342	0	49	-1.0	-51.91	411.41	-2.74	-54.65
CN(CCNC(=O)C1CN(C2CCOC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787342	1	49	-1.0	-51.91	411.41	-2.74	-54.65
CN(CCNC(=O)C1=CC=C2NC=NC2=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787343	0	42	-1.0	-66.12	378.52	1.15	-64.97
CN(CCNC(=O)CCCC1=NNN=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787344	0	44	-1.0	-63.43	389.76	-1.15	-64.58
CN(CCNC(=O)CCCC1=CNN=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787344	1	44	-1.0	-63.43	389.76	-1.15	-64.58
CC(=C(F)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024787345	0	43	-1.0	-47.80	375.24	1.93	-45.87
CN(CCNC(=O)C1=CC(Cl)=NNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787346	0	38	-1.0	-49.34	362.59	-2.32	-51.66
CN(CCNC(=O)C1=CC=CC=C1S(C)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787347	0	44	-1.0	-55.98	394.82	0.06	-55.92
CN(CCNC(=O)CC1NC(=O)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787348	0	41	-1.0	-54.26	371.25	-5.39	-59.65
CN(CCNC(=O)C1CCC(NC(N)=O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787349	0	51	-1.0	-58.12	427.27	-2.72	-60.84
CC1=NC([N+](=O)[O-])=CN1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787350	0	44	-1.0	-66.03	405.25	2.65	-63.38
CC1=C2C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)=CNC2=CC=C1	REAL300024787351	0	46	-1.0	-57.50	394.24	2.08	-55.42
CN(CCNC(=O)C[NH+]1CCC(CO)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787352	0	51	-1.0	-52.97	420.48	-3.13	-56.10
CN(CCNC(=O)CN1CCC(CO)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787352	1	51	-1.0	-52.97	420.48	-3.13	-56.10
CN(CCNC(=O)CCS(C)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787353	0	40	-1.0	-61.27	367.49	-2.25	-63.52
COC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(F)=N1	REAL300024787354	0	42	-1.0	-57.20	380.29	-1.84	-59.04
CC(=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CN(C)N=C1	REAL300024787355	0	46	-1.0	-54.03	405.11	1.26	-52.77
CN(CCNC(=O)C1=NN(C)C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787356	0	39	-1.0	-51.24	360.44	-0.83	-52.07
CN(CCNC(=O)C1CCCCN1N=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787357	0	45	-1.0	-58.46	384.58	-0.87	-59.33
CN(CCNC(=O)C=C(Cl)Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787358	0	33	-1.0	-50.16	334.42	0.11	-50.05
CSC1=CC=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787359	0	41	-1.0	-53.96	384.54	0.15	-53.81
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)CC1(O)CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787361	0	52	0.0	-70.25	409.16	0.01	-70.24
CN(CCNC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787361	1	52	0.0	-70.25	409.16	0.01	-70.24
COC1=NNC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787362	0	40	-1.0	-52.29	363.73	-4.29	-56.58
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC(C)(C)C1	REAL300024787363	0	52	-1.0	-51.05	422.10	3.13	-47.92
CC1CN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787364	0	45	0.0	-72.39	379.82	0.95	-71.44
CC1C[NH+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787364	1	45	0.0	-72.39	379.82	0.95	-71.44
CN(CCNC(=O)C1=C2C=COC2=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787365	0	42	-1.0	-56.09	386.26	1.71	-54.38
COCN1C=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787366	0	43	-1.0	-53.01	386.27	-2.11	-55.12
CN(CCNC(=O)C[NH+]1CCC(C(N)=O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787367	0	51	-1.0	-57.32	424.26	-3.78	-61.10
CN(CCNC(=O)CN1CCC(C(N)=O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787367	1	51	-1.0	-57.32	424.26	-3.78	-61.10
CN(CCNC(=O)C(O)C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787368	0	46	-1.0	-51.14	384.21	-0.04	-51.18
CN(CCNC(=O)C1(C)COC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787369	0	40	-1.0	-51.29	348.93	-1.73	-53.02
CC1=NC(Cl)=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787370	0	41	-1.0	-52.39	376.52	0.75	-51.64
CC1=C2NC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)=CC2=CC=C1	REAL300024787371	0	46	-1.0	-52.41	403.60	2.05	-50.36
CN(CCNC(=O)C1=CC([N+](=O)[O-])=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787372	0	41	-1.0	-52.23	379.58	0.86	-51.37
CN(CCNC(=O)C1=CCCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787373	0	41	-1.0	-50.33	357.63	-0.14	-50.47
CN(CCNC(=O)CSCC1=NC=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787374	0	43	-1.0	-60.38	397.10	0.16	-60.22
CN(CCNC(=O)C1=CCCS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787375	0	38	-1.0	-51.50	350.06	0.68	-50.82
CC1=NOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787376	0	40	-1.0	-60.89	358.60	-0.19	-61.08
CN(CCNC(=O)C(=O)NC1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787377	0	40	-1.0	-48.70	361.84	-2.33	-51.03
CCN1C=C(Cl)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787378	0	42	-1.0	-54.67	390.41	0.60	-54.07
CN(CCNC(=O)C1=NC=C(Cl)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787379	0	37	-1.0	-52.45	357.97	-0.59	-53.04
CCC1=NOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787380	0	43	-1.0	-59.57	379.02	0.66	-58.91
CN(CCNC(=O)C1=CC=C2C=COC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787381	0	42	-1.0	-55.55	375.79	1.79	-53.76
CC1=NOC(COCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787382	0	44	-1.0	-61.84	399.03	-1.89	-63.73
CN(CCNC(=O)C1CCSC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787383	0	40	-1.0	-50.69	355.77	0.77	-49.92
CN(CCNC(=O)C1CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787384	0	37	-1.0	-54.49	330.48	-1.31	-55.80
CC(=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1C	REAL300024787385	0	49	-1.0	-50.36	420.43	3.99	-46.37
CN(CCNC(=O)C1=CC=C(F)C(Cl)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787386	0	38	-1.0	-48.83	368.30	0.22	-48.61
CN(CCNC(=O)CCN=[N+]=[N-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024787387	0	37	-1.0	-50.49	343.36	-4.23	-54.72
CN(CCNC(=O)CN1C=C(CO)N=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787388	0	42	-1.0	-64.55	379.48	-4.45	-69.00
C#CCOCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787389	0	38	-1.0	-57.53	353.59	0.01	-57.52
CN(CCNC(=O)CC1=NN=CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787390	0	37	-1.0	-59.96	343.09	-5.70	-65.66
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)SCCO1	REAL300024787391	0	42	-1.0	-50.62	373.87	0.30	-50.32
CN(CCO)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787392	0	45	0.0	-72.53	376.90	-2.70	-75.23
CN(CCNC(=O)C[N@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787392	1	45	0.0	-72.99	376.68	-2.70	-75.69
CN(CCNC(=O)C[N@@H+](C)CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787392	1	45	0.0	-72.99	376.68	-2.70	-75.69
CN(CCNC(=O)C1=CN=C(Cl)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787393	0	37	-1.0	-49.28	357.24	-1.73	-51.01
CN(CCNC(=O)C1CCCS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787394	0	40	-1.0	-51.20	357.39	0.76	-50.44
CCCC(O)(CCC)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787395	0	54	-1.0	-54.16	434.56	1.10	-53.06
CN(CCNC(=O)C(C)(C)O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787396	0	39	-1.0	-49.91	343.71	-3.41	-53.32
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
CC(SC1=CC=CC=C1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787398	0	46	-1.0	-53.59	410.41	3.05	-50.54
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C(CO)O1	REAL300024787399	0	43	-1.0	-54.36	383.33	-2.29	-56.65
CN(CCNC(=O)C1=CC=NC2=NC=NN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787400	0	40	-1.0	-54.97	363.34	2.74	-52.23
CN(CCNC(=O)CC(C)(O)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787401	0	42	-1.0	-52.19	376.03	-1.39	-53.58
CC1=CSC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787402	0	41	-1.0	-54.74	379.56	-0.18	-54.92
CN(CCNC(=O)C(F)(F)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787403	0	42	-1.0	-50.00	382.85	2.23	-47.77
CN(CCNC(=O)CC1=CC=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787404	0	41	-1.0	-57.88	366.41	0.51	-57.37
CN(CCNC(=O)C1=CC=NC(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787405	0	38	-1.0	-53.85	360.41	0.11	-53.74
CC(SC(F)(F)F)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787406	0	39	-1.0	-50.70	371.57	0.66	-50.04
CN(CCNC(=O)C1=CC=CN=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787407	0	38	-1.0	-59.66	347.91	-0.36	-60.02
CC1=CC=C(C(F)(F)C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024787408	0	45	-1.0	-49.28	404.25	2.91	-46.37
CC1=C(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)[N-]1	REAL300024787409	0	46	-1.0	-67.88	406.03	-0.99	-68.87
CC1=C(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)N1	REAL300024787409	1	46	-1.0	-67.88	406.03	-0.99	-68.87
CC1=CC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787410	0	37	-1.0	-52.21	338.49	0.62	-51.59
CN(C)C(=O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787411	0	39	-1.0	-49.06	345.97	-2.02	-51.08
CSC=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787412	0	37	-1.0	-50.75	348.85	0.07	-50.68
CN(CCNC(=O)C=C1CC2CCC(C1)[NH+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787413	0	53	0.0	-72.34	421.86	2.82	-69.52
CN(CCNC(=O)C1=CNC=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787414	0	39	-1.0	-62.09	351.58	-0.58	-62.67
CC1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CS1	REAL300024787415	0	40	-1.0	-54.54	366.84	-1.72	-56.26
CN(CCNC(=O)C1=C(F)C=CN=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787416	0	38	-1.0	-55.87	359.59	-0.48	-56.35
CN(CCNC(=O)C1=CN=C(Cl)C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787417	0	38	-1.0	-50.92	366.07	0.14	-50.78
CN(CCNC(=O)C1C[N@@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787418	0	51	0.0	-84.74	395.35	-0.34	-85.08
CN(CCNC(=O)C1C[N@H+]2CCN1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787418	1	51	0.0	-84.74	395.35	-0.34	-85.08
CN(CCNC(=O)CC(O)C1=CC=CC(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787419	0	46	-1.0	-56.45	407.94	0.74	-55.71
CC1=CNC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024787420	0	42	-1.0	-61.11	371.70	0.07	-61.04
CN(CCNC(=O)C1=C(Cl)C=CN=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787421	0	38	-1.0	-55.15	369.16	-0.08	-55.23
CCC(C)(O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787422	0	42	-1.0	-49.78	360.33	-2.74	-52.52
COC1=CC=NC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787423	0	42	-1.0	-55.71	371.00	0.20	-55.51
CN(CCNC(=O)C(O)C1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787424	0	47	-1.0	-53.21	392.54	-1.97	-55.18
CC[N@@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787425	0	51	0.0	-71.75	410.79	2.14	-69.61
CC[N@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787425	1	51	0.0	-71.75	410.79	2.14	-69.61
CCC1=NOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787426	0	40	-1.0	-50.88	365.65	-2.46	-53.34
CC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024787427	0	50	0.0	-79.35	405.96	1.85	-77.50
COC1=CC=CC(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787428	0	47	-1.0	-54.46	412.63	1.95	-52.51
CC1=CC=C(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024787429	0	43	-1.0	-51.57	394.93	2.51	-49.06
CN(CCNC(=O)C=CC1=CC=C(Cl)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787430	0	42	-1.0	-53.35	394.63	1.30	-52.05
CN(CCNC(=O)[C@@H]1CCC2=CC=CC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787431	0	46	-1.0	-52.20	394.65	3.19	-49.01
CN(CCNC(=O)C=CC1=CC=C(C(N)=O)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787432	0	44	-1.0	-54.76	405.45	-2.26	-57.02
CN(CCNC(=O)C1=CC=CC2=C1COC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787433	0	44	-1.0	-54.55	381.82	0.74	-53.81
CC1=CN2CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)CCC2=N1	REAL300024787434	0	49	-1.0	-55.30	414.95	2.16	-53.14
CN(CCNC(=O)C1=CC=C(CC2CC2)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787435	0	49	-1.0	-52.31	422.84	4.44	-47.87
CC1=CC(Cl)=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024787436	0	39	-1.0	-52.47	376.27	1.77	-50.70
CN(CCNC(=O)C1=NC=C(C(F)F)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787437	0	38	-1.0	-49.88	370.83	-0.38	-50.26
CC1=NN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024787438	0	40	-1.0	-59.78	365.28	-1.84	-61.62
CC(C)N1C=NC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787439	0	45	-1.0	-52.69	389.25	1.87	-50.82
CC1=CN2C=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=CC2=N1	REAL300024787440	0	45	-1.0	-54.70	396.59	2.60	-52.10
CC1=NN=C2CCC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)N12	REAL300024787441	0	45	-1.0	-60.29	390.33	1.76	-58.53
CC[N@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787442	0	44	0.0	-71.88	366.28	0.53	-71.35
CC[N@@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787442	1	43	-1.0	-51.82	364.70	-1.72	-53.54
CCN(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787442	1	43	-1.0	-51.82	364.70	-1.72	-53.54
CN(CCNC(=O)C1=CC2=NNC(=O)N2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787443	0	42	-1.0	-55.99	380.68	-0.28	-56.27
CN(CCNC(=O)C1CCCC(F)(F)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787444	0	48	-1.0	-52.80	397.40	2.30	-50.50
CN(CCNC(=O)C1=CC=CN2C=NN=C12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787445	0	41	-1.0	-59.95	369.11	3.07	-56.88
COC1CC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024787446	0	52	-1.0	-54.67	429.55	1.34	-53.33
CN(CCNC(=O)C(C)(C)C1=NNC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787447	0	44	-1.0	-66.26	381.76	0.84	-65.42
CN(CCNC(=O)C(C)(C)C1=NN=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787447	1	44	-1.0	-66.26	381.76	0.84	-65.42
CC1=CC2=C(OCC2)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787448	0	47	-1.0	-57.61	404.69	2.86	-54.75
CN(CCNC(=O)C1=NNC=C1C1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787449	0	46	-1.0	-54.08	395.63	0.55	-53.53
CN(CCNC(=O)C1CCC2C1C2(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787450	0	43	-1.0	-53.66	372.21	1.64	-52.02
CC1=NN(C2CCC2)C=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787451	0	49	-1.0	-55.22	417.07	1.79	-53.43
CN(CCNC(=O)C(F)OC(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787452	0	36	-1.0	-52.78	349.17	-1.44	-54.22
C=C1CC2(C1)CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024787453	0	47	-1.0	-51.78	402.03	2.79	-48.99
CN(CCNC(=O)CC1CCN2C=NC=C2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787454	0	49	-1.0	-58.70	411.57	3.02	-55.68
CC1=NC=C(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024787455	0	45	-1.0	-58.01	401.72	-0.46	-58.47
CN(CCNC(=O)C(F)(F)C1=CN=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787456	0	41	-1.0	-51.45	377.84	-1.46	-52.91
COC1=NNC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1Cl	REAL300024787457	0	40	-1.0	-53.09	378.39	-3.77	-56.86
CN(CCNC(=O)C1=CC2=CC=CC=C2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787458	0	44	-1.0	-52.98	389.18	3.20	-49.78
COC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CN=C1	REAL300024787459	0	45	-1.0	-56.29	400.21	0.47	-55.82
CCC1(C#CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)COC1	REAL300024787460	0	45	-1.0	-53.20	399.03	0.24	-52.96
COC1=CC=C(C)N=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787461	0	45	-1.0	-55.73	394.67	0.91	-54.82
CN(CCNC(=O)C1=C[C@@H]2CCCC[C@H]12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787462	0	47	-1.0	-51.91	394.27	2.79	-49.12
CC(C)C1=CNN=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787463	0	45	-1.0	-53.74	390.47	-0.09	-53.83
CN(CCNC(=O)[C@@H]1C[C@H]1C1=NN=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787464	0	42	-1.0	-57.54	378.99	0.77	-56.77
CN(CCNC(=O)[C@@H]1C[C@H]1C1=NNC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787464	1	42	-1.0	-57.54	378.99	0.77	-56.77
CN(CCNC(=O)C1=C(C2CCC2)ON=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787465	0	45	-1.0	-50.75	393.01	1.79	-48.96
CN(CCNC(=O)CCC(C)(C)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787466	0	44	-1.0	-50.66	378.77	1.24	-49.42
COC1CC2(C1)CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024787467	0	50	-1.0	-51.49	422.25	1.25	-50.24
CC1=NC=CC=C1C=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787468	0	45	-1.0	-54.26	395.60	1.38	-52.88
CC1=CC=C(C=CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024787469	0	49	-1.0	-54.23	425.42	4.11	-50.12
CN(CCNC(=O)C12CCC[N@@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787470	0	52	0.0	-66.66	402.44	2.47	-64.19
CN(CCNC(=O)C12CCC[N@H+]1CCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787470	1	52	0.0	-66.66	402.44	2.47	-64.19
CN(CCNC(=O)CC1CC(C(F)F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787471	0	45	-1.0	-53.84	394.97	2.12	-51.72
CC1=C(C(N)=O)C=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787472	0	46	-1.0	-60.90	393.04	-1.08	-61.98
CN(CCNC(=O)C1=C2C=CNC2=CN=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787473	0	42	-1.0	-56.95	372.15	-0.34	-57.29
CN(CCNC(=O)C1=NNC2=C1C[C@H]1C[C@@H]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787474	0	44	-1.0	-53.21	385.55	0.52	-52.69
CN(CCNC(=O)C1=C2C[C@H]3C[C@H]3C2=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787474	1	44	-1.0	-53.21	385.55	0.52	-52.69
CC1=CC=CC([C@@H](C)C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787475	0	48	-1.0	-52.66	410.31	3.34	-49.32
CN(CCNC(=O)C1=CC2=C(C=CS2)N1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787476	0	43	-1.0	-51.82	390.22	2.06	-49.76
CC1=NN(C(C)C)C(C)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787477	0	51	-1.0	-54.82	438.19	1.73	-53.09
CN(CCNC(=O)C1=C2SN=CC2=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787478	0	41	-1.0	-60.90	378.60	1.64	-59.26
CN(CCNC(=O)C12CCC[N@@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787479	0	50	0.0	-74.79	394.82	2.75	-72.04
CN(CCNC(=O)C12CCC[N@H+]1CC=CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787479	1	50	0.0	-74.79	394.82	2.75	-72.04
CC(C)C(C)C(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787480	0	53	-1.0	-50.56	418.47	2.64	-47.92
CN(CCNC(=O)C(O)C1=CC=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787481	0	43	-1.0	-53.04	379.70	-2.29	-55.33
CN(CCNC(=O)C1=CNC2=NC=NN2C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787482	0	41	-1.0	-59.58	373.05	1.69	-57.89
CC[C@H](CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024787483	0	50	-1.0	-50.91	401.16	2.12	-48.79
CN(CCNC(=O)C1CC2(C1)CCCO2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787484	0	47	-1.0	-54.13	395.87	0.46	-53.67
CCC=CC=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787485	0	43	-1.0	-51.37	383.07	1.96	-49.41
CCC1=NOC(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787486	0	46	-1.0	-52.86	407.43	-0.87	-53.73
CC1=NN(C)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1[N+](=O)[O-]	REAL300024787487	0	44	-1.0	-57.32	406.48	0.41	-56.91
CC1CCC(=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787488	0	46	-1.0	-51.17	389.22	2.37	-48.80
CC(OC1CCCCC1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787489	0	52	-1.0	-54.49	429.96	2.86	-51.63
CN(CCNC(=O)C1=CC=C(F)C=C1[N+](=O)[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024787490	0	41	-1.0	-61.06	379.27	3.18	-57.88
CCC1=NC=C(Cl)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787491	0	43	-1.0	-49.66	396.66	0.60	-49.06
CC1=NN2C=CC=CC2=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787492	0	45	-1.0	-57.09	401.66	1.72	-55.37
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
CC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CN1	REAL300024787494	0	40	-1.0	-57.36	357.78	-0.11	-57.47
CN(CCNC(=O)CCC1CCC(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787495	0	46	-1.0	-56.98	396.68	-1.39	-58.37
COCC(C)(O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787496	0	43	-1.0	-49.41	376.20	-3.84	-53.25
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024787497	0	43	-1.0	-51.09	368.03	1.71	-49.38
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
C=C1CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787499	0	40	-1.0	-50.83	353.48	0.95	-49.88
CN(CCNC(=O)C=C1CCC(C)(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787500	0	52	-1.0	-50.15	417.89	3.20	-46.95
CN(CCNC(=O)CC1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787501	0	43	-1.0	-63.40	385.21	-1.69	-65.09
CN(CCNC(=O)CC1=CC(=O)N(C)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787501	1	43	-1.0	-63.40	385.21	-1.69	-65.09
CN(CCNC(=O)C(O)C1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787502	0	49	-1.0	-51.39	401.95	0.42	-50.97
CC[N@H+](CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024787503	0	48	0.0	-70.69	389.94	1.76	-68.93
CC[N@@H+](CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024787503	1	47	-1.0	-52.02	391.53	-0.40	-52.42
CCN(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024787503	1	47	-1.0	-52.02	391.53	-0.40	-52.42
CN(CCNC(=O)C=C(C1CC1)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787504	0	47	-1.0	-50.15	397.66	3.21	-46.94
CN(CCNC(=O)C(C)(O)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787505	0	43	-1.0	-49.51	369.36	-1.71	-51.22
CN(CCNC(=O)CSCC(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787506	0	39	-1.0	-56.09	376.68	0.91	-55.18
CC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024787507	0	38	-1.0	-51.52	349.62	-3.08	-54.60
CN(CCNC(=O)C(F)(F)C1(O)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787508	0	46	-1.0	-47.11	392.57	-1.19	-48.30
CN(CCNC(=O)C1=C(Cl)C=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787509	0	36	-1.0	-54.44	346.27	-1.59	-56.03
CN(CCNC(=O)C1=NNC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787509	1	36	-1.0	-54.44	346.27	-1.59	-56.03
CN(CCNC(=O)C(O)C1=CC=C(Cl)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787510	0	43	-1.0	-52.01	398.08	0.71	-51.30
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=CS1	REAL300024787511	0	38	-1.0	-51.24	352.91	-0.73	-51.97
CC1COC2=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=CC=C21	REAL300024787512	0	47	-1.0	-57.98	404.10	2.83	-55.15
CC1=CC=C(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(Cl)=N1	REAL300024787513	0	44	-1.0	-58.18	403.52	1.29	-56.89
CN(CCNC(=O)COC1=CC=C(CO)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787514	0	47	-1.0	-58.19	414.70	-0.66	-58.85
CN(CCNC(=O)C1=CC(C2CC2)=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787515	0	45	-1.0	-51.85	395.02	1.83	-50.02
CN(CCNC(=O)C1CCC1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787516	0	39	-1.0	-52.85	346.60	0.53	-52.32
CN(CCNC(=O)C1C(F)(F)C12CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787517	0	43	-1.0	-50.54	381.70	2.01	-48.53
CC(C)C(=O)N[C@@H](CO)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787518	0	49	-1.0	-54.06	422.22	-4.15	-58.21
CC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(Cl)=N1	REAL300024787519	0	41	-1.0	-50.68	382.29	0.74	-49.94
CN(CCNC(=O)C1=CC2=C(F)C=CC=C2N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787520	0	43	-1.0	-55.01	388.88	1.47	-53.54
CSC1=CC=C(C)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787521	0	46	-1.0	-51.07	404.59	3.14	-47.93
CN(CCNC(=O)C1=CC=CC(Cl)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787522	0	38	-1.0	-50.62	362.70	0.18	-50.44
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N2C=CC=CC2=N1	REAL300024787523	0	45	-1.0	-56.26	400.19	2.27	-53.99
CC1=CC=CC([N+](=O)[O-])=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787524	0	44	-1.0	-57.35	396.40	2.76	-54.59
CN(CCNC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787525	0	41	-1.0	-59.26	376.55	2.10	-57.16
CC[NH+](CC)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787526	0	50	0.0	-74.01	402.42	1.52	-72.49
CN(CCNC(=O)C1=NN(C)C(=O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787527	0	43	-1.0	-50.99	380.73	-1.38	-52.37
CN(CCNC(=O)C1=CN=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787528	0	36	-1.0	-55.54	330.28	-1.02	-56.56
CN(CCNC(=O)C1CC2=CC=CC=C2S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787529	0	44	-1.0	-51.63	396.20	2.97	-48.66
CN(CCNC(=O)C1=CC2=NNC=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787530	0	42	-1.0	-59.89	373.89	0.30	-59.59
CC1=NOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787531	0	37	-1.0	-51.15	344.17	-3.07	-54.22
CC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC=C1[N+](=O)[O-]	REAL300024787532	0	44	-1.0	-52.78	392.76	2.64	-50.14
COC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024787533	0	46	-1.0	-53.55	405.57	2.28	-51.27
CN(CCNC(=O)C1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787534	0	43	-1.0	-51.56	367.20	1.75	-49.81
CC1=CC([N+](=O)[O-])=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787535	0	43	-1.0	-52.74	395.98	1.03	-51.71
CN(CCNC(=O)CC1=CN=CN=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787536	0	40	-1.0	-56.39	362.88	0.15	-56.24
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=CC2=NNN=C2C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787538	0	41	-1.0	-55.12	372.63	-1.21	-56.33
CC1=CC=NC=C1C=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787539	0	45	-1.0	-53.14	395.61	1.40	-51.74
CN(CCNC(=O)C1=CC=C(Cl)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787540	0	39	-1.0	-53.45	367.57	-0.93	-54.38
CCC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(Cl)=N1	REAL300024787541	0	44	-1.0	-50.35	402.95	1.54	-48.81
CN(CCNC(=O)C=C1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787542	0	48	-1.0	-50.78	399.83	-0.17	-50.95
CN(CCNC(=O)C=C1CCN(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787542	1	48	-1.0	-50.78	399.83	-0.17	-50.95
CN(CCNC(=O)C1(C(F)F)CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787543	0	48	-1.0	-54.08	394.94	2.41	-51.67
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
CN(CCNC(=O)C(=O)NCCC(N)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787545	0	43	-1.0	-55.83	389.68	-6.38	-62.21
CN(CCNC(=O)C1=CNC2=CC=NN2C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787546	0	42	-1.0	-62.20	378.34	-0.47	-62.67
CN(CCNC(=O)C1(C)CC1C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787547	0	42	-1.0	-51.00	374.07	1.39	-49.61
CC1=NSC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787548	0	38	-1.0	-50.59	357.55	-0.31	-50.90
CN(CCNC(=O)C1=C2C=CSC2=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787549	0	42	-1.0	-54.29	380.99	2.76	-51.53
CN(CCNC(=O)C1=CCS(=O)(=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787550	0	40	-1.0	-58.08	367.93	-2.97	-61.05
CC1=NOC(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787551	0	44	-1.0	-52.75	391.57	1.11	-51.64
CN(CCNC(=O)C1=CCSC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787552	0	38	-1.0	-51.16	348.85	0.73	-50.43
CN(CCNC(=O)CCCC(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787553	0	41	-1.0	-53.22	368.89	0.98	-52.24
CN(CCNC(=O)CC1=NC=C(Cl)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787554	0	38	-1.0	-53.58	374.82	-0.16	-53.74
CN(CCNC(=O)CN1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787555	0	48	0.0	-72.31	399.39	1.53	-70.78
CN(CCNC(=O)C[NH+]1CC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787555	1	48	0.0	-72.31	399.39	1.53	-70.78
CN(CCNC(=O)CSC1=NN=CN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787556	0	42	-1.0	-56.44	390.98	1.86	-54.58
CN(CCNC(=O)CCCNS(C)(=O)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787557	0	46	-1.0	-61.56	413.27	-3.92	-65.48
CC1=CC=C(Cl)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787558	0	42	-1.0	-53.42	382.55	2.65	-50.77
CN(CCNC(=O)CCN1C=CC=NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787559	0	44	-1.0	-63.87	393.13	-0.97	-64.84
CN(CCNC(=O)C1=CC=C(C(F)(F)F)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787560	0	40	-1.0	-50.26	376.85	0.20	-50.06
CN(CCNC(=O)CCCC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787561	0	57	0.0	-75.38	455.09	3.85	-71.53
CCN1C=C([N+](=O)[O-])C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787562	0	44	-1.0	-60.76	399.08	1.69	-59.07
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
CN(CCNC(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787564	0	41	-1.0	-53.46	383.22	2.18	-51.28
CN(CCNC(=O)C=CC1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787565	0	49	-1.0	-51.01	410.33	3.05	-47.96
CN(CCNC(=O)C(C)(O)C1=CC=CC(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787566	0	46	-1.0	-52.08	402.61	-0.25	-52.33
CCCC(O)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787567	0	45	-1.0	-54.80	386.90	-0.92	-55.72
CN(CCNC(=O)C1=C([N+](=O)[O-])C=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787568	0	41	-1.0	-58.48	382.45	-0.26	-58.74
CN(CCNC(=O)C1CSC2=CC=CC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787569	0	44	-1.0	-52.99	392.34	2.87	-50.12
CN(CCNC(=O)C(C)(O)CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787570	0	49	-1.0	-50.56	419.43	0.19	-50.37
CN(CCNC(=O)C1(Cl)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787571	0	36	-1.0	-49.04	338.95	0.45	-48.59
CN(CCNC(=O)C1=CCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787572	0	38	-1.0	-50.52	341.05	-0.97	-51.49
CN(CCNC(=O)C1(O)CC2=CC=CC=C2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787573	0	47	-1.0	-53.89	403.74	0.14	-53.75
CN(CCNC(=O)C1=CC=C(CO)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787574	0	40	-1.0	-53.06	365.90	-3.06	-56.12
CCCCCC(O)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787575	0	51	-1.0	-54.81	429.90	0.64	-54.17
CN(CCNC(=O)C1=C2C=CC=CN2N=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787576	0	41	-1.0	-56.84	372.01	-0.20	-57.04
CN(CCNC(=O)C1OCCN(C)C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787577	0	44	-1.0	-55.03	381.17	-1.21	-56.24
CN(CCNC(=O)C1(C)CCN(C)C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787578	0	46	-1.0	-52.32	392.34	-0.34	-52.66
CN(CCNC(=O)C=CC1=C(F)C=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787579	0	43	-1.0	-54.30	396.59	2.81	-51.49
CN(CCNC(=O)C=CCOC1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787580	0	51	-1.0	-55.61	434.84	0.04	-55.57
CN(CCNC(=O)C1=CC=CC(C(F)F)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787581	0	41	-1.0	-52.69	379.00	0.65	-52.04
CN(CCNC(=O)C=CC1=CSC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787582	0	40	-1.0	-51.88	373.25	1.61	-50.27
CN(CCNC(=O)C=CC1=CC=NC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787583	0	41	-1.0	-52.62	375.25	0.93	-51.69
CC(=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(F)F	REAL300024787584	0	39	-1.0	-53.29	355.52	0.72	-52.57
CN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)N1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787585	0	48	-1.0	-64.53	409.79	-4.26	-68.79
CC1=CC(F)=NC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787586	0	41	-1.0	-50.49	366.32	0.30	-50.19
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(C)CC2(CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787588	0	46	-1.0	-51.16	389.37	2.32	-48.84
CN(CCNC(=O)C1=NNC2=C1CCSC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787589	0	44	-1.0	-51.45	391.15	0.03	-51.42
CN(CCNC(=O)C1=C2CCSCC2=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787589	1	44	-1.0	-51.45	391.15	0.03	-51.42
CN(CCNC(=O)C1CC2(CSC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787590	0	44	-1.0	-51.76	388.39	1.88	-49.88
CN(CCNC(=O)C1=CN2N=CC=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787591	0	42	-1.0	-56.09	375.73	1.24	-54.85
CN(CCNC(=O)C[N@@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787592	0	49	0.0	-73.00	404.95	-1.74	-74.74
CN(CCNC(=O)C[N@H+]1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787592	1	48	-1.0	-56.48	401.67	-4.31	-60.79
CN(CCNC(=O)CN1CCC(C)(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787592	1	48	-1.0	-56.48	401.67	-4.31	-60.79
CN(CCNC(=O)C=CC1=CC=C(F)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787593	0	43	-1.0	-52.41	389.56	2.72	-49.69
CC(C)OC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024787594	0	49	-1.0	-48.56	402.80	1.14	-47.42
CN(CCNC(=O)C1CC12CC(C)(C)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787595	0	49	-1.0	-51.36	411.38	2.94	-48.42
CN(CCNC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787596	0	46	-1.0	-53.72	406.62	-3.66	-57.38
CN(CCNC(=O)C1CCCN2N=CN=C12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787597	0	45	-1.0	-52.42	387.06	1.64	-50.78
CC1=NC=C(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024787598	0	42	-1.0	-52.70	390.42	0.63	-52.07
CCSC1=CN=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787599	0	45	-1.0	-53.89	401.26	1.53	-52.36
CN(CCNC(=O)CC1=NOC(C2CC2)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787600	0	45	-1.0	-59.75	400.78	1.89	-57.86
CN(CCNC(=O)C=CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787601	0	45	0.0	-77.33	386.04	1.13	-76.20
CN(CCNC(=O)C1=NC=CC2=NC=NC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787602	0	42	-1.0	-51.50	376.51	-0.14	-51.64
CCN1C=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024787603	0	45	-1.0	-63.73	395.33	1.18	-62.55
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)C(C)(F)C1=CC=C(F)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787605	0	45	-1.0	-52.49	401.65	2.67	-49.82
CC1=CSC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787606	0	42	-1.0	-53.31	384.84	1.90	-51.41
CCC[C@H](O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787607	0	42	-1.0	-52.06	365.80	-1.39	-53.45
CN(CCNC(=O)C1CCCN2C=NN=C12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787608	0	45	-1.0	-55.28	386.22	2.36	-52.92
C#CCC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC=CCC1	REAL300024787609	0	48	-1.0	-54.43	406.71	3.06	-51.37
CN(CCNC(=O)C1=CSC2=NC=CN12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787610	0	39	-1.0	-52.03	362.32	1.12	-50.91
CN(CCNC(=O)C1=CC=NN1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787611	0	48	-1.0	-50.40	399.52	1.11	-49.29
CN(CCNC(=O)C1C2CCC(C2)C1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787612	0	52	-1.0	-50.75	407.59	2.95	-47.80
CN(CCNC(=O)C12CCC(CC1)C2(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787613	0	52	-1.0	-51.03	408.19	2.67	-48.36
C#CC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024787614	0	44	-1.0	-51.00	381.19	1.97	-49.03
CN(CCNC(=O)C1=CN=C2C=NN(C)C2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787615	0	44	-1.0	-53.63	392.50	-0.52	-54.15
CN(CCNC(=O)C1(C2CCOCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787616	0	50	-1.0	-53.57	408.99	1.38	-52.19
CN(CCNC(=O)C1=C2NC=CC2=CC(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787617	0	43	-1.0	-51.26	384.13	1.72	-49.54
CN(CCNC(=O)CC1COCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787618	0	44	-1.0	-55.35	377.97	-0.92	-56.27
CC(C)C1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)COC1	REAL300024787619	0	46	-1.0	-49.34	381.28	-0.22	-49.56
CN(CCNC(=O)C1(C(F)F)CC(F)(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787620	0	42	-1.0	-54.63	379.42	1.33	-53.30
CC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(N=[N+]=[N-])=C1	REAL300024787621	0	44	-1.0	-54.85	396.15	0.12	-54.73
CN(CCNC(=O)CC1CC2(CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787622	0	49	-1.0	-51.93	409.64	3.06	-48.87
CNC(=O)N[C@H](C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787623	0	44	-1.0	-52.99	386.05	-3.66	-56.65
COC1=NC=NC(C)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787624	0	44	-1.0	-52.03	393.76	-1.65	-53.68
CC(OCC[NH+](C)C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787625	0	51	0.0	-74.24	424.47	1.62	-72.62
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=C2C=NSC2=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787627	0	41	-1.0	-56.42	375.99	1.48	-54.94
CN(CCNC(=O)CC1(C)CCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787628	0	46	-1.0	-54.73	384.39	0.90	-53.83
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N(C)C=N1	REAL300024787629	0	42	-1.0	-55.24	375.38	1.09	-54.15
CN(CCNC(=O)C12CCC(C)(C1)OC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787630	0	47	-1.0	-50.90	394.92	0.16	-50.74
CCN1C(C)=NN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1=O	REAL300024787631	0	48	-1.0	-63.08	424.38	1.36	-61.72
CN(CCNC(=O)C=CC1=CNC(=O)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787632	0	43	-1.0	-60.62	389.53	-2.99	-63.61
CC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)CC(F)(F)F	REAL300024787633	0	44	-1.0	-54.28	385.91	1.51	-52.77
CN(CCNC(=O)CC1=NN=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787634	0	37	-1.0	-56.99	352.47	-1.81	-58.80
CN(CCNC(=O)C1(C2CCC2)CC1(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787635	0	46	-1.0	-50.50	392.28	2.68	-47.82
CN(CCNC(=O)CCOCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787636	0	51	0.0	-73.64	425.63	0.68	-72.96
COCCN(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787637	0	48	0.0	-72.86	398.93	-0.30	-73.16
COCC[N@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787637	1	48	0.0	-72.67	399.15	-0.29	-72.96
COCC[N@@H+](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787637	1	48	0.0	-72.67	399.15	-0.29	-72.96
CCC(CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)CC(F)(F)F	REAL300024787638	0	47	-1.0	-54.02	398.51	1.97	-52.05
CN(CCNC(=O)C1(C2CC2)CCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787639	0	47	-1.0	-49.77	392.33	1.26	-48.51
CN(CCNC(=O)C1=CC2=CN(C)N=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787640	0	45	-1.0	-57.39	397.27	1.46	-55.93
CCC1=CSC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787641	0	42	-1.0	-51.68	377.03	1.77	-49.91
CN(CCNC(=O)CC1CCCC(F)(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787642	0	48	-1.0	-53.94	403.93	2.50	-51.44
CC1=NNC2=C1CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)CC2	REAL300024787643	0	49	-1.0	-54.18	412.55	0.78	-53.40
CC1=C2CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)CCC2=NN1	REAL300024787643	1	49	-1.0	-54.18	412.55	0.78	-53.40
CN(CCNC(=O)C1=CC2CCC=CCCC12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787644	0	51	-1.0	-50.96	419.87	3.86	-47.10
CN(CCNC(=O)C12CC(CO)(C1)OC2(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787645	0	51	-1.0	-55.80	421.80	-2.42	-58.22
CN(CCNC(=O)C1=CN(C(F)(F)F)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787646	0	39	-1.0	-52.26	372.69	-0.58	-52.84
C=C1CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)(C(F)F)C1	REAL300024787647	0	43	-1.0	-52.83	381.91	1.66	-51.17
C#CC1=CC=C(C2CC2C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024787648	0	48	-1.0	-53.47	428.13	4.66	-48.81
CO[C@@H]1C[C@@]2(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]12	REAL300024787649	0	44	-1.0	-55.39	385.32	0.09	-55.30
CN(CCNC(=O)C1=CC2=CN=CN=C2N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787650	0	41	-1.0	-52.22	371.89	0.48	-51.74
CC1=CC=C(C)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787651	0	44	-1.0	-51.28	383.23	1.01	-50.27
CC1OC2(C)CC1(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024787652	0	47	-1.0	-51.50	398.64	0.22	-51.28
CN(CCNC(=O)CC1=NN=CN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787653	0	41	-1.0	-64.32	368.53	1.00	-63.32
CCC1=NON=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787654	0	40	-1.0	-47.04	363.22	-0.58	-47.62
CN(CCNC(=O)CC1(CO)CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787655	0	50	-1.0	-50.33	402.31	-2.95	-53.28
CN(CCNC(=O)CC1=NSN=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787656	0	37	-1.0	-58.64	349.68	-1.87	-60.51
C=CCC(C)(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787657	0	48	-1.0	-50.21	395.58	2.13	-48.08
CN(CCNC(=O)C1CCC(=O)N(C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787658	0	50	-1.0	-55.23	418.60	1.13	-54.10
CN(CCNC(=O)C1=CC=C(C#CC2CC2)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787659	0	48	-1.0	-53.10	429.32	5.17	-47.93
CN(CCNC(=O)C1=CC=CC(C#CC2CC2)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787660	0	48	-1.0	-56.05	429.37	5.17	-50.88
CN(CCNC(=O)C1CC(C2=CC=CC=C2)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787661	0	47	-1.0	-58.95	411.38	2.62	-56.33
CC1C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC2=CC=CC=C21	REAL300024787662	0	47	-1.0	-52.60	405.74	3.90	-48.70
CN(CCNC(=O)C1=CC=CC=C1OC1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787663	0	47	-1.0	-57.47	406.99	3.68	-53.79
CN(CCNC(=O)C1=CC2=CC=NN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787664	0	42	-1.0	-54.88	376.09	1.23	-53.65
COC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(C)=N1	REAL300024787665	0	45	-1.0	-51.42	397.34	-1.21	-52.63
CN(CCNC(=O)C(CO)C1=CC=C(F)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787666	0	46	-1.0	-52.43	404.35	-0.11	-52.54
CCSC1=NC=CN=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787667	0	44	-1.0	-53.56	400.29	-0.01	-53.57
CN(CCNC(=O)C1=NOC(C(F)(F)F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787668	0	38	-1.0	-47.79	368.32	-0.07	-47.86
CN(CCNC(=O)C1=NN=C(C(C)(C)C)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787669	0	46	-1.0	-50.10	414.06	0.04	-50.06
CCC(C)(OC)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787670	0	45	-1.0	-49.05	375.55	-0.38	-49.43
CN(CCNC(=O)C1=CC=C(F)C(CO)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787671	0	43	-1.0	-55.17	384.84	-1.02	-56.19
CCCC(CCCO)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787672	0	51	-1.0	-52.35	421.11	-0.85	-53.20
CN(CCNC(=O)[C@@H]1C[C@H]1C1=CC=CC(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787673	0	46	-1.0	-55.00	407.29	3.54	-51.46
CC(O)C1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024787674	0	42	-1.0	-54.87	389.22	-3.28	-58.15
CN(CCNC(=O)CC1CCCNC(=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787675	0	49	-1.0	-64.18	405.22	-1.03	-65.21
CC(C)[C@H](O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787676	0	42	-1.0	-52.07	360.58	-1.43	-53.50
CSC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024787677	0	43	-1.0	-48.96	380.13	1.53	-47.43
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=N1	REAL300024787678	0	44	-1.0	-54.15	383.73	0.75	-53.40
CN(CCNC(=O)C(O)C1=CC=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787679	0	42	-1.0	-51.77	373.36	-1.17	-52.94
CN(CCNC(=O)C(C)(O)C1=CC=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787680	0	45	-1.0	-54.40	393.79	-1.69	-56.09
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)CCCCCN1C=NN=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787682	0	49	-1.0	-64.74	428.67	1.66	-63.08
COC1=CC=CN=C1C(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787683	0	48	-1.0	-56.92	414.06	0.47	-56.45
CN(CCNC(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787684	0	46	-1.0	-56.69	401.97	3.20	-53.49
CN(CCNC(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787685	0	51	0.0	-76.46	399.94	2.08	-74.38
COC1=CC=NC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787686	0	45	-1.0	-57.26	396.43	-0.17	-57.43
CC(CS(C)=O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787687	0	43	-1.0	-59.82	381.28	-1.34	-61.16
CC(CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024787688	0	50	0.0	-73.20	406.10	1.60	-71.60
CN(CCNC(=O)C=CC1=CC=NC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787689	0	42	-1.0	-53.47	378.20	0.90	-52.57
CN(CCNC(=O)C1=CN=CC(F)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787690	0	37	-1.0	-48.98	346.78	-2.18	-51.16
CN(CCNC(=O)C1=CN(C2CC2)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787691	0	43	-1.0	-53.70	383.03	0.72	-52.98
CC1=CC=CC(COCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787692	0	49	-1.0	-56.60	429.13	3.19	-53.41
CN(CCNC(=O)CCC1=NN=C(C2CC2)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787693	0	47	-1.0	-55.45	417.87	-2.50	-57.95
CC(C)C(CO)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787694	0	45	-1.0	-51.03	375.16	-1.84	-52.87
CCOC=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787695	0	40	-1.0	-50.79	359.87	-0.61	-51.40
CC1C2=CNN=C2CCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787696	0	49	-1.0	-53.72	408.06	0.74	-52.98
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=CC2=NNC=C21	REAL300024787697	0	45	-1.0	-55.73	389.70	0.83	-54.90
CCN1CCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787698	0	45	0.0	-70.31	373.61	0.60	-69.71
CC[N@@H+]1CCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787698	1	45	0.0	-71.41	380.18	0.88	-70.53
CC[N@H+]1CCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787698	1	45	0.0	-71.41	380.18	0.88	-70.53
CC1=NC(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024787699	0	42	-1.0	-52.80	391.23	0.53	-52.27
CSC1=CC(C)=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024787700	0	43	-1.0	-50.02	393.67	1.32	-48.70
CN(CCNC(=O)CCNC(=O)CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787701	0	43	-1.0	-66.48	384.80	-4.64	-71.12
CCC(O)CN1C=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024787702	0	48	-1.0	-55.30	424.12	-3.13	-58.43
CN(CCNC(=O)CSS(C)(=O)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787703	0	39	-1.0	-69.48	371.67	-1.61	-71.09
CN(CCNC(=O)C1=CN2C=NN=C2C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787704	0	40	-1.0	-53.24	366.46	1.01	-52.23
CC(=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CS1	REAL300024787705	0	43	-1.0	-49.74	391.64	2.51	-47.23
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCS1(=O)=O	REAL300024787706	0	43	-1.0	-63.34	383.66	-2.30	-65.64
CN(CCNC(=O)C=CCCC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787707	0	49	-1.0	-52.15	429.30	4.33	-47.82
CC1=CC(C)=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)O1	REAL300024787708	0	44	-1.0	-55.53	384.94	2.21	-53.32
CC(C)[N@@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787709	0	54	0.0	-64.53	421.45	2.87	-61.66
CC(C)[N@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787709	1	54	0.0	-64.53	421.45	2.87	-61.66
COC1=CC=C(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024787710	0	47	-1.0	-53.53	412.57	1.96	-51.57
CC1=CC=C2CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300024787711	0	46	-1.0	-54.22	400.91	3.34	-50.88
CN(CCNC(=O)C1CCCC2=C1N=CS2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787712	0	45	-1.0	-51.20	395.50	1.52	-49.68
CN(CCNC(=O)C1=CNN=C1[N+](=O)[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024787713	0	38	-1.0	-65.47	354.29	0.47	-65.00
CSCCCCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787714	0	45	-1.0	-51.76	400.96	1.94	-49.82
CC1=NC(=O)NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787715	0	41	-1.0	-55.88	370.11	-3.08	-58.96
CN(CCNC(=O)CC1(O)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787716	0	46	-1.0	-50.60	382.27	-0.52	-51.12
CN(CCNC(=O)C1CCCC1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787717	0	43	-1.0	-54.27	366.54	-2.17	-56.44
CN(CCNC(=O)CC1(O)CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787718	0	49	-1.0	-54.03	400.09	0.39	-53.64
CN(CCNC(=O)C1=CC(F)=CN=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787719	0	38	-1.0	-52.37	362.43	0.18	-52.19
CC(C)C1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024787720	0	45	-1.0	-53.67	392.72	0.03	-53.64
CCC1=NC(C)=NC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787721	0	46	-1.0	-51.09	395.41	0.77	-50.32
CC1=C(C)C(C)=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024787722	0	46	-1.0	-53.24	393.26	1.05	-52.19
CN(CCNC(=O)C[N@@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787723	0	49	0.0	-71.28	403.39	-1.60	-72.88
CN(CCNC(=O)C[N@H+]1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787723	1	48	-1.0	-55.57	400.85	-3.87	-59.44
CN(CCNC(=O)CN1CCCC1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787723	1	48	-1.0	-55.57	400.85	-3.87	-59.44
C[C@@H](O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787724	0	36	-1.0	-51.80	324.03	-2.97	-54.77
CN(CCNC(=O)C1=NN2C=CC=CC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787725	0	42	-1.0	-55.46	379.93	1.12	-54.34
CCCCSCCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787726	0	48	-1.0	-50.18	422.43	2.86	-47.32
CC1=NN(C)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1Cl	REAL300024787727	0	42	-1.0	-53.19	392.47	0.17	-53.02
CC1=C([N+](=O)[O-])C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NN1C	REAL300024787728	0	44	-1.0	-61.30	403.26	0.53	-60.77
CCC1=CN=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024787729	0	41	-1.0	-49.94	380.12	0.16	-49.78
CC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C([N+](=O)[O-])=C1	REAL300024787730	0	44	-1.0	-63.78	396.43	3.46	-60.32
CC(C)C1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300024787731	0	48	-1.0	-59.10	414.28	0.37	-58.73
CSSCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787732	0	37	-1.0	-54.10	358.12	1.20	-52.90
CN(CCNC(=O)CC(O)C(N)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787733	0	40	-1.0	-60.13	360.30	-5.39	-65.52
CCC(C)=C(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787734	0	45	-1.0	-50.48	376.74	1.82	-48.66
CSC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)(C)C	REAL300024787735	0	48	-1.0	-50.10	405.73	1.90	-48.20
COC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024787736	0	43	-1.0	-49.15	366.32	-0.44	-49.59
CSC1=CC=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787737	0	43	-1.0	-55.40	388.53	2.46	-52.94
CN(CCNC(=O)C1=COC(Cl)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787738	0	35	-1.0	-48.90	344.46	-3.44	-52.34
CN(CCNC(=O)C1=CC2=NC=CC=C2N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787739	0	43	-1.0	-56.39	384.67	-0.06	-56.45
CN(CCNC(=O)C1=CN=C(Cl)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787740	0	35	-1.0	-50.03	352.85	-0.88	-50.91
CN(CCNC(=O)C1CC2(C1)CCCCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787741	0	52	-1.0	-51.15	419.36	3.33	-47.82
CN(CCNC(=O)CCC(C)(C)O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787742	0	45	-1.0	-51.25	383.11	-2.08	-53.33
COCCC(C)(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787743	0	51	-1.0	-50.59	414.32	0.59	-50.00
CN(CCNC(=O)C1CCC2(CCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787744	0	52	-1.0	-50.78	418.22	3.35	-47.43
CN(CCNC(=O)C(CO)C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787745	0	48	-1.0	-49.72	387.10	-1.41	-51.13
CN(CCNC(=O)C1=CC=CC(S(C)=O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787746	0	44	-1.0	-57.44	400.55	0.02	-57.42
CC1=NC(C)=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024787747	0	46	-1.0	-51.38	403.70	0.32	-51.06
CN(CCNC(=O)C1=C2C=CN=C2NC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787748	0	42	-1.0	-56.95	372.79	0.72	-56.23
CN(CCNC(=O)C1=C2C=CNC2=NC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787748	1	42	-1.0	-56.95	372.79	0.72	-56.23
CN(CCNC(=O)C1CC2CCCC[N@@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787749	0	52	0.0	-71.96	416.05	2.61	-69.35
CN(CCNC(=O)C1CC2CCCC[N@H+]2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787749	1	52	0.0	-71.96	416.05	2.61	-69.35
CN(CCNC(=O)[C@@H](O)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787750	0	43	-1.0	-52.21	381.07	0.17	-52.04
CN(CCNC(=O)C1=CC(=O)C=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787751	0	39	-1.0	-65.64	353.27	-0.81	-66.45
CC1CC(=O)NC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787752	0	43	-1.0	-58.22	376.15	-2.35	-60.57
CN(CCNC(=O)C1=CSN=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787753	0	35	-1.0	-52.93	334.25	-0.91	-53.84
CN(CCNC(=O)C1=CN=CC(Cl)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787754	0	37	-1.0	-48.85	357.25	-1.73	-50.58
CN(CCNC(=O)C1=CC=CN=C1OCCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787755	0	46	-1.0	-60.67	406.60	-2.80	-63.47
CN(CCNC(=O)C1(C)CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787756	0	51	0.0	-74.28	406.07	1.95	-72.33
CC1=NC=CC(Cl)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787757	0	41	-1.0	-52.69	382.58	0.47	-52.22
CN(CCNC(=O)C1(N2C=CC=N2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787758	0	43	-1.0	-49.03	386.22	0.59	-48.44
CN(CCNC(=O)C1=CCCC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787759	0	49	-1.0	-50.87	400.49	2.64	-48.23
CCC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024787760	0	42	-1.0	-54.36	373.70	-0.54	-54.90
CN(CCNC(=O)C1=CN2C=CN=CC2=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787761	0	41	-1.0	-53.17	373.66	0.16	-53.01
CN(CCNC(=O)C1=CC(C[NH+](C)C)=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787762	0	49	0.0	-79.34	415.19	1.15	-78.19
CN(CCNC(=O)CC1=CC=CC(C(N)=O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787763	0	46	-1.0	-58.85	407.79	-1.09	-59.94
CN(CCNC(=O)C1CC(C)(C(C)(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787764	0	54	-1.0	-50.86	420.90	2.76	-48.10
CCC1=NNC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787765	0	41	-1.0	-51.63	369.64	-0.67	-52.30
CCC1=NN=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024787765	1	41	-1.0	-51.63	369.64	-0.67	-52.30
CN(CCNC(=O)C(F)(F)C(O)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787766	0	43	-1.0	-49.08	386.52	-1.14	-50.22
C#CCC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCCO1	REAL300024787767	0	48	-1.0	-50.01	403.56	1.73	-48.28
CN(CCNC(=O)CC1(O)CCOC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787768	0	44	-1.0	-53.38	373.47	-3.11	-56.49
CCOC1=CC=C(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024787769	0	48	-1.0	-58.33	417.85	0.70	-57.63
CSC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024787770	0	45	-1.0	-51.54	394.18	1.40	-50.14
CN(CCNC(=O)C1=CC(C2CCC2)=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787771	0	49	-1.0	-51.59	416.61	1.72	-49.87
CN(CCNC(=O)CC1CCC(C)(O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787772	0	52	-1.0	-51.58	422.32	-0.19	-51.77
CC1CC(C)(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787773	0	45	-1.0	-51.44	372.93	1.41	-50.03
CN(CCNC(=O)C1=CC=C(CN=[N+]=[N-])O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787774	0	41	-1.0	-51.77	384.62	-3.08	-54.85
CN(CCNC(=O)CC1=NC=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787775	0	41	-1.0	-59.14	368.26	0.16	-58.98
CN(CCNC(=O)CCC1=CC=C(Cl)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787776	0	44	-1.0	-53.02	406.08	1.57	-51.45
CN(CCNC(=O)[C@@H]1CSCC(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787777	0	41	-1.0	-54.89	373.04	-2.21	-57.10
C[C@@H]1C[C@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C[C@H](C)O1	REAL300024787778	0	49	-1.0	-52.76	407.92	0.83	-51.93
CC(C)N1C=CN=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787779	0	45	-1.0	-51.61	390.36	1.38	-50.23
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC(O)CC1	REAL300024787780	0	51	-1.0	-55.31	417.94	-3.30	-58.61
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)N1CCC(O)CC1	REAL300024787780	1	51	-1.0	-55.31	417.94	-3.30	-58.61
CN(CCNC(=O)COC1(C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787781	0	49	-1.0	-54.48	406.83	1.92	-52.56
CN(CCNC(=O)C1=CC=C(C2CCC2)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787782	0	48	-1.0	-51.64	409.17	2.18	-49.46
CN(CCNC(=O)C1CCC2=CNN=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787783	0	43	-1.0	-51.79	374.69	-0.39	-52.18
CNC(=O)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787784	0	42	-1.0	-52.89	372.84	-2.53	-55.42
CN(CCNC(=O)C1=CC=C(C2(C)CC2)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787785	0	49	-1.0	-52.12	414.79	3.93	-48.19
CN(CCNC(=O)C1=CC=C(CC2CC2)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787786	0	46	-1.0	-50.88	415.42	3.60	-47.28
CN(CCNC(=O)CCC1=CON=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787787	0	41	-1.0	-53.88	369.35	0.32	-53.56
COC1=CN(C)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024787788	0	46	-1.0	-57.95	398.27	0.67	-57.28
CN(CCNC(=O)CC1=CSN=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787789	0	38	-1.0	-55.48	357.49	-0.24	-55.72
CN(CCNC(=O)C1CCCC12CCOCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787790	0	53	-1.0	-52.74	419.14	1.38	-51.36
CCC1=NN(C)C(CC)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787791	0	51	-1.0	-54.76	439.60	1.64	-53.12
C=CCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024787792	0	48	0.0	-67.47	392.49	1.35	-66.12
CN(CCNC(=O)[C@]1(F)C[C@H]1C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787793	0	46	-1.0	-49.16	406.05	3.49	-45.67
CN(CCNC(=O)C1=CC=C(C(O)CF)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787794	0	46	-1.0	-55.11	405.89	-0.12	-55.23
CN(CCNC(=O)CCCCF)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787795	0	41	-1.0	-51.75	362.82	0.84	-50.91
CN(CCNC(=O)C=C1CCCCC1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787796	0	52	-1.0	-50.21	416.18	3.08	-47.13
CN(CCNC(=O)C1(S(N)(=O)=O)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787797	0	44	-1.0	-51.56	390.14	-4.56	-56.12
CN(CCNC(=O)C1=CC2=C(SC=C2)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787798	0	39	-1.0	-50.89	377.85	1.92	-48.97
CN(CCNC(=O)C=CCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787799	0	37	-1.0	-55.15	337.91	-3.60	-58.75
CCC(O)C(F)(F)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787800	0	42	-1.0	-48.95	374.20	-0.99	-49.94
CN(CCNC(=O)C1CCCC2=NC=NN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787801	0	45	-1.0	-54.67	386.80	1.83	-52.84
CN(CCNC(=O)C1(CO)CCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787802	0	44	-1.0	-51.57	378.31	-3.64	-55.21
CN(CCNC(=O)C1CC(OC(F)(F)F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787803	0	43	-1.0	-50.32	391.89	-0.02	-50.34
CN(CCNC(=O)C(C)(C)C1(O)CCOC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787804	0	50	-1.0	-52.87	404.32	-2.28	-55.15
CCC(C)CC(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787805	0	50	-1.0	-51.09	407.78	2.39	-48.70
CN(CCNC(=O)CC1CCCC2(CCC2)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787806	0	53	-1.0	-54.92	433.14	2.94	-51.98
C#CCC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCOC1	REAL300024787807	0	45	-1.0	-52.93	384.95	0.52	-52.41
COC1=CN=CC(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787808	0	46	-1.0	-54.04	407.60	0.14	-53.90
CN(CCNC(=O)C1CC(C)(C)C[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787809	0	51	0.0	-68.74	414.82	2.00	-66.74
CN(CCNC(=O)C1CC(C)(C)C[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787809	1	51	0.0	-68.74	414.82	2.00	-66.74
CN(CCNC(=O)C(F)N1C=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787810	0	39	-1.0	-55.92	360.36	-0.65	-56.57
CN(CCNC(=O)CC1(CO)CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787811	0	52	-1.0	-51.91	410.21	-0.58	-52.49
CC1=NC2=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=NN2C=C1	REAL300024787812	0	44	-1.0	-63.61	394.30	0.98	-62.63
CN(CCNC(=O)CCCCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787813	0	53	0.0	-75.96	435.68	2.80	-73.16
COC1=CC=NC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787814	0	44	-1.0	-56.96	395.27	-2.39	-59.35
CN(CCNC(=O)CN1OC(C)(C)CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787815	0	47	-1.0	-57.69	410.70	-0.39	-58.08
CNC(=O)N1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024787816	0	51	-1.0	-59.69	423.56	-0.59	-60.28
CN(CCNC(=O)C1=NNC(C(F)(F)F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787817	0	41	-1.0	-50.71	380.16	-1.83	-52.54
CN(CCNC(=O)CC1=CN=CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787818	0	38	-1.0	-57.74	348.40	-3.03	-60.77
CN(CCNC(=O)CC12CCC(CC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787819	0	49	-1.0	-51.58	396.52	2.69	-48.89
CN(CCNC(=O)C[C@@H]1CC=CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787820	0	46	-1.0	-51.84	385.14	2.32	-49.52
CC(=CC1=CC=CS1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787821	0	43	-1.0	-52.20	382.89	2.03	-50.17
COCCOCC=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787822	0	47	-1.0	-56.34	415.64	-0.97	-57.31
CN(CCNC(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787823	0	45	-1.0	-52.74	382.48	-0.68	-53.42
CN(CCNC(=O)CN1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787823	1	45	-1.0	-52.74	382.48	-0.68	-53.42
CCCC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=NN1CC	REAL300024787824	0	50	-1.0	-52.03	430.78	0.64	-51.39
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)N1C=CC=N1	REAL300024787825	0	48	-1.0	-58.48	404.94	1.53	-56.95
CN(CCNC(=O)C1=C2COCCC2=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787826	0	47	-1.0	-53.97	408.21	-0.89	-54.86
CN(CCNC(=O)[C@H]1C[C@H](N2C=CN=N2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787827	0	45	-1.0	-61.91	391.90	-0.17	-62.08
CN(CCNC(=O)[C@H]1CCCC[C@H]1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787828	0	57	-1.0	-49.36	425.49	3.68	-45.68
CN(CCNC(=O)CC1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787829	0	46	-1.0	-51.73	386.77	2.53	-49.20
CN(CCNC(=O)C1=NOC(CF)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787830	0	38	-1.0	-51.61	355.57	-0.33	-51.94
CN(CCNC(=O)C1=CC=CC=C1C(C)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787831	0	45	-1.0	-58.95	390.75	2.93	-56.02
CN(CCNC(=O)C1=CN(C2CCOC2)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787832	0	47	-1.0	-53.53	406.83	0.51	-53.02
CN(CCNC(=O)C1=CN2N=NC=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787833	0	41	-1.0	-59.20	370.43	-0.04	-59.24
CCCC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NN1C	REAL300024787834	0	48	-1.0	-53.81	417.11	1.25	-52.56
CN(CCNC(=O)[C@@H]1CC[C@H]1C(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787835	0	42	-1.0	-50.87	371.97	1.26	-49.61
CN(CCNC(=O)[C@H]1CCC2=CC=CC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787836	0	46	-1.0	-51.71	391.11	3.43	-48.28
CN(CCNC(=O)C1CCC2CC2CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787837	0	49	-1.0	-50.73	388.38	2.66	-48.07
CN(CCNC(=O)C1=CC=CN2N=CN=C12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787838	0	41	-1.0	-55.19	369.45	2.44	-52.75
CN(CCNC(=O)C=CC1=CC=CC(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787839	0	43	-1.0	-53.63	389.57	2.72	-50.91
CN(CCNC(=O)C1=CC=CC=C1CN=[N+]=[N-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024787840	0	44	-1.0	-51.57	393.78	-1.14	-52.71
CSC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024787841	0	43	-1.0	-52.82	388.66	2.46	-50.36
CC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C(C)N1C1CC1	REAL300024787842	0	50	-1.0	-53.46	424.36	3.54	-49.92
CC1=NNC(C)=C1SCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787843	0	46	-1.0	-54.43	417.73	0.29	-54.14
CN(CCNC(=O)CCCCCNC(N)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787844	0	50	-1.0	-58.13	431.46	-2.96	-61.09
CN(CCNC(=O)C1=CC=C([N+](=O)[O-])N1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787845	0	42	-1.0	-53.43	379.54	2.34	-51.09
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024787846	0	45	-1.0	-52.43	389.16	2.69	-49.74
CN(CCNC(=O)C[N-]C(=O)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787847	0	39	-1.0	-51.00	371.07	-2.77	-53.77
CN(CCNC(=O)CNC(=O)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787847	1	39	-1.0	-51.00	371.07	-2.77	-53.77
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)C1=NN(CCO)C(=O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787849	0	47	-1.0	-51.88	413.21	-3.82	-55.70
CN(CCNC(=O)COCC(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787850	0	39	-1.0	-58.26	367.38	-0.07	-58.33
CC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(Cl)=N1	REAL300024787851	0	41	-1.0	-56.55	377.62	0.73	-55.82
CN(CCNC(=O)CSCC(N)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787852	0	40	-1.0	-63.72	373.77	-3.45	-67.17
CCCCSCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787853	0	45	-1.0	-53.41	400.76	2.05	-51.36
CN(CCNC(=O)C1=CC=CC(F)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787854	0	38	-1.0	-51.11	352.25	-0.31	-51.42
COC(C)(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787855	0	42	-1.0	-55.08	357.68	-0.29	-55.37
CN(CCNC(=O)C1=NC=CN=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787856	0	37	-1.0	-54.27	353.04	-1.69	-55.96
CC1C[N@@H+]2CCN1C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024787857	0	51	0.0	-82.02	401.80	-1.07	-83.09
CC1C[N@H+]2CCN1C(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024787857	1	51	0.0	-82.02	401.80	-1.07	-83.09
CCCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024787858	0	50	0.0	-68.88	400.72	1.65	-67.23
CN(CCNC(=O)C=CC1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787859	0	47	-1.0	-52.88	401.01	0.64	-52.24
CSC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC=C1F	REAL300024787860	0	43	-1.0	-52.72	394.55	2.51	-50.21
CN(CCNC(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024787861	0	41	-1.0	-61.51	377.76	0.85	-60.66
CC1=CN=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787862	0	40	-1.0	-51.70	362.00	-1.53	-53.23
CN(CCNC(=O)C(C)(C)[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787863	0	47	0.0	-76.56	376.28	1.03	-75.53
CN(CCNC(=O)C(F)(F)CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787864	0	36	-1.0	-50.34	334.60	-2.61	-52.95
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=CC(=O)N1	REAL300024787865	0	42	-1.0	-53.65	369.03	-0.99	-54.64
CN(CCNC(=O)C1=CNC2=CC=CC(F)=C12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787866	0	43	-1.0	-64.17	384.45	1.51	-62.66
CN(CCNC(=O)C(F)(F)C1=CN(C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787867	0	42	-1.0	-51.95	387.31	0.05	-51.90
CN(CCNC(=O)CCCCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787868	0	42	-1.0	-52.59	367.65	-2.63	-55.22
CC1=CN=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1Cl	REAL300024787869	0	41	-1.0	-52.80	375.05	0.73	-52.07
CCCC1=NN(C)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787870	0	48	-1.0	-51.51	413.51	1.30	-50.21
CN(CCNC(=O)C1=CN=C(F)C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787871	0	38	-1.0	-51.43	356.05	-0.36	-51.79
CN(CCNC(=O)C1=CC=NC(F)=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787872	0	38	-1.0	-58.64	354.49	-0.32	-58.96
CN(CCNC(=O)[C@H](O)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787873	0	43	-1.0	-52.94	380.55	0.20	-52.74
CN(CCNC(=O)C=CC1(C)CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787874	0	50	-1.0	-52.60	410.86	0.81	-51.79
CN(CCNC(=O)C1CCOC2(CCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787875	0	50	-1.0	-52.47	410.11	1.17	-51.30
CN(CCNC(=O)C1=CC([N+](=O)[O-])=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787876	0	38	-1.0	-53.85	360.66	-0.40	-54.25
CN(CCNC(=O)CN1C=NC2=CC=CC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787877	0	45	-1.0	-60.87	400.96	3.20	-57.67
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=NO1	REAL300024787878	0	38	-1.0	-51.05	345.30	-0.32	-51.37
CN(CCNC(=O)C1=CC2=CC=CC=C2OC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787879	0	45	-1.0	-53.50	394.22	1.96	-51.54
CC1=NC(SCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024787880	0	42	-1.0	-55.59	391.02	0.06	-55.53
CC1=NN=C(SCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024787880	1	42	-1.0	-53.10	391.47	-0.27	-53.37
CC1=NNC(SCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787880	1	42	-1.0	-53.10	391.47	-0.27	-53.37
CC1CCC(=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024787881	0	49	-1.0	-50.21	404.70	2.89	-47.32
CC(OC1CCCC1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787882	0	49	-1.0	-54.80	412.66	2.26	-52.54
CCC1=C(C)SC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787883	0	45	-1.0	-51.76	396.72	2.48	-49.28
CC1=CC=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787884	0	41	-1.0	-52.10	367.06	0.40	-51.70
CC(OCC1=CC=CC=C1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787885	0	49	-1.0	-56.29	427.50	3.22	-53.07
CN(CCNC(=O)C1CNC(=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787886	0	40	-1.0	-57.33	353.77	-3.27	-60.60
CC1CCCC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024787887	0	51	-1.0	-51.15	406.62	2.77	-48.38
CC(SC1=NC=CC=N1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787888	0	44	-1.0	-55.92	400.47	1.13	-54.79
CCCCSC(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787889	0	48	-1.0	-53.63	419.21	2.61	-51.02
CN(CCNC(=O)C1=CN(CCO)N=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787890	0	42	-1.0	-52.68	382.41	-4.73	-57.41
CN(CCNC(=O)COC(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787891	0	36	-1.0	-53.21	344.29	-0.90	-54.11
CC1=CC=C2C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)=CNC2=C1	REAL300024787892	0	46	-1.0	-59.60	402.41	2.11	-57.49
CN(CCNC(=O)C1=CNC2=CC(F)=CC=C12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787893	0	43	-1.0	-58.16	387.43	1.51	-56.65
CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787894	0	39	-1.0	-61.41	349.20	-5.43	-66.84
CC(=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1F	REAL300024787895	0	46	-1.0	-51.22	409.15	3.53	-47.69
CN(CCNC(=O)C1=CN=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787896	0	35	-1.0	-52.58	335.51	-1.41	-53.99
CC1=NN(CCO)C=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787897	0	46	-1.0	-56.38	404.43	-2.72	-59.10
CN(C)C1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300024787898	0	46	-1.0	-57.51	404.48	0.68	-56.83
CN(C)C1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024787899	0	43	-1.0	-52.43	385.53	-2.25	-54.68
COC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCCC1	REAL300024787900	0	49	-1.0	-49.34	398.63	0.98	-48.36
CC1CCC(C2(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024787901	0	55	-1.0	-51.14	438.74	4.37	-46.77
CN(CCNC(=O)C=CCN1CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787902	0	49	-1.0	-52.86	416.40	-1.70	-54.56
CN(CCNC(=O)C1=NOC2=CC=CC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787903	0	41	-1.0	-51.15	373.67	0.73	-50.42
CN(CCNC(=O)C(F)(F)CC1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787904	0	42	-1.0	-47.91	376.70	1.60	-46.31
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
CC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024787906	0	40	-1.0	-53.47	357.65	-0.18	-53.65
CN(CCNC(=O)C1(Br)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787907	0	36	-1.0	-48.98	343.23	0.57	-48.41
CN(CCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787908	0	48	0.0	-70.73	381.46	1.29	-69.44
CN(CCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787908	1	47	-1.0	-51.62	387.54	-0.76	-52.38
CN(CCNC(=O)C1CCCCN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787908	1	47	-1.0	-51.62	387.54	-0.76	-52.38
CN(CCNC(=O)C1=CC=NN=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787909	0	37	-1.0	-57.24	351.34	-0.94	-58.18
CN(CCNC(=O)C(O)C1=CC=CC(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787910	0	43	-1.0	-51.16	398.08	0.70	-50.46
CC1=NNC(=O)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787911	0	41	-1.0	-52.44	367.33	-2.14	-54.58
CN(CCNC(=O)C1=NC2=CC=CNC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787912	0	42	-1.0	-66.82	378.31	-0.40	-67.22
CN(CCNC(=O)C1(CO)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787913	0	40	-1.0	-55.44	355.91	-2.93	-58.37
CN(CCNC(=O)C1=C2C(=NN1)N=CNC2=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787914	0	41	-1.0	-64.48	373.16	-0.76	-65.24
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC(F)=CC(F)=C1	REAL300024787915	0	45	-1.0	-53.35	401.72	2.81	-50.54
CN(CCNC(=O)C(C)(C)OCC(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787916	0	45	-1.0	-57.71	399.11	1.11	-56.60
COC1=CC=CC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787917	0	45	-1.0	-58.70	398.88	-0.89	-59.59
C=CC1(C2(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)CCC2)CCC1	REAL300024787918	0	53	-1.0	-52.27	426.65	3.42	-48.85
CN(CCNC(=O)C1=NC(C(C)(C)C)=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787919	0	47	-1.0	-50.95	408.94	0.36	-50.59
CN(CCNC(=O)C1=NN=C(C(C)(C)C)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787919	1	47	-1.0	-50.95	408.94	0.36	-50.59
CN(CCNC(=O)CCC(F)(F)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024787920	0	43	-1.0	-55.78	397.27	-3.00	-58.78
CN(CCNC(=O)CCC(F)(F)CN=[N+]=[N-])C(=O)CSC1=NC(=O)[N-]N1	REAL300024787920	1	43	-1.0	-55.78	397.27	-3.00	-58.78
CN(CCNC(=O)C1(C)CCC(F)(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787921	0	45	-1.0	-50.34	385.89	1.66	-48.68
CCC1=CNC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787922	0	43	-1.0	-56.96	376.09	0.75	-56.21
CN(CCNC(=O)[C@@H]1CCC[C@H]1CF)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787923	0	45	-1.0	-53.96	381.20	1.74	-52.22
CN(CCNC(=O)C1=NOC(C2CCC2)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787924	0	45	-1.0	-49.80	397.48	1.64	-48.16
CN(CCNC(=O)[C@@H]1CCC[C@H]1C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787925	0	45	-1.0	-50.98	393.99	1.95	-49.03
CC(C)[C@@H](O)[C@@H](C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787926	0	48	-1.0	-49.58	393.50	-0.01	-49.59
CN(CCNC(=O)C1(F)C2CCCCC21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787927	0	46	-1.0	-49.21	385.98	2.29	-46.92
CN(CCNC(=O)C1=C2C=CC=CC2=NO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787928	0	41	-1.0	-51.60	372.95	1.09	-50.51
CN(CCNC(=O)C12CCC(C)(CC1)OC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787929	0	50	-1.0	-51.54	405.68	0.88	-50.66
CCC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024787930	0	44	-1.0	-55.81	387.44	-0.54	-56.35
CN(CCNC(=O)CN1C=C(C2CCC2)N=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787931	0	48	-1.0	-65.40	414.45	0.78	-64.62
COC1=CN=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787932	0	42	-1.0	-53.23	373.17	-1.06	-54.29
CN(CCNC(=O)C1C[C@@H]2[C@H](C1)C2(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787933	0	43	-1.0	-51.94	377.70	1.85	-50.09
CN(CCNC(=O)CC1(O)COC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787934	0	50	-1.0	-53.58	414.54	-1.68	-55.26
CN(CCNC(=O)C1=CNC2=C1C(=O)NC=N2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787935	0	42	-1.0	-72.13	378.04	0.60	-71.53
CN(CCNC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787936	0	47	-1.0	-51.77	382.35	0.16	-51.61
CC1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C2CCCCN12	REAL300024787937	0	49	-1.0	-54.96	414.16	2.14	-52.82
COC1(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024787938	0	43	-1.0	-55.18	373.62	0.77	-54.41
CC1=CC2=C(C=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)N2)O1	REAL300024787939	0	43	-1.0	-54.69	384.44	0.28	-54.41
CN(CCNC(=O)CC1=NN(C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787940	0	41	-1.0	-59.52	369.11	-1.65	-61.17
CN(CCNC(=O)C1(C2CCCCO2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787941	0	50	-1.0	-51.00	412.02	1.79	-49.21
CN(CCNC(=O)CN1N=CC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787942	0	41	-1.0	-57.94	378.18	-3.85	-61.79
CN(CCNC(=O)CN1N=CC(=O)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787942	1	41	-1.0	-57.94	378.18	-3.85	-61.79
CN(CCNC(=O)CC1CC1(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787943	0	39	-1.0	-55.28	356.21	0.84	-54.44
CN(CCNC(=O)CC1C=CS(=O)(=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787944	0	43	-1.0	-58.21	386.92	-2.45	-60.66
COC1=CN=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787945	0	41	-1.0	-51.78	370.67	-2.12	-53.90
CN(CCNC(=O)C1=CC=C(C2CC2)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787946	0	46	-1.0	-56.21	400.43	0.91	-55.30
CC(CN1C=CN=C1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787947	0	45	-1.0	-52.44	390.68	2.22	-50.22
CN(CCNC(=O)C1=C(F)C=CC2=NNC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787948	0	42	-1.0	-53.28	385.42	0.05	-53.23
CCC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NN1CCO	REAL300024787949	0	49	-1.0	-53.56	428.57	-2.04	-55.60
CN(CCNC(=O)C1=CC(=O)NC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787950	0	38	-1.0	-59.89	350.78	-1.72	-61.61
CCCN1C=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787951	0	45	-1.0	-53.88	396.78	0.83	-53.05
CC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=C1F	REAL300024787952	0	41	-1.0	-50.88	372.34	0.30	-50.58
COC1=C(Cl)C=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787953	0	43	-1.0	-55.35	393.83	2.60	-52.75
CN(CCNC(=O)C1=CC=C(CO)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787954	0	42	-1.0	-53.11	378.42	-2.97	-56.08
CN(CCNC(=O)CC1=CC[N@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787955	0	49	0.0	-70.50	407.68	2.19	-68.31
CN(CCNC(=O)CC1=CC[N@@H+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787955	1	49	0.0	-70.50	407.68	2.19	-68.31
CC[C@H](C)[C@H](O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787956	0	45	-1.0	-51.26	376.61	-0.46	-51.72
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)C=N1	REAL300024787957	0	44	-1.0	-57.64	383.09	0.89	-56.75
COCC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024787958	0	47	-1.0	-50.34	400.56	-1.26	-51.60
CN(CCNC(=O)C1CCC(=C(F)F)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787959	0	46	-1.0	-53.02	396.54	2.31	-50.71
CN(CCNC(=O)C1CC2=NC=CN=C2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787960	0	44	-1.0	-54.94	385.12	-0.48	-55.42
CN(CCNC(=O)C12COC(C=CC1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787961	0	45	-1.0	-52.26	380.02	-0.02	-52.28
CN(CCNC(=O)CCCC(F)(F)CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787962	0	45	-1.0	-57.92	399.15	-1.66	-59.58
CN(CCNC(=O)C(C1CC1)C1CCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787963	0	50	-1.0	-53.69	414.72	2.60	-51.09
CN(CCNC(=O)CC1([NH+]2CCCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787964	0	52	0.0	-70.79	412.53	2.52	-68.27
CC1CCC(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1C	REAL300024787965	0	54	-1.0	-51.19	430.84	3.48	-47.71
C#CCC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024787966	0	47	-1.0	-51.26	393.68	3.14	-48.12
CN(CCNC(=O)C1=C2N=CC=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787967	0	42	-1.0	-64.81	377.28	2.20	-62.61
CC1=NN(C2CCC2)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787968	0	49	-1.0	-51.58	418.12	1.97	-49.61
CN(CCNC(=O)CC1=COC(C(F)F)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787969	0	41	-1.0	-63.57	382.96	-2.09	-65.66
CC(C)C1=CC=C(F)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787970	0	48	-1.0	-55.08	413.33	3.45	-51.63
CN(CCNC(=O)CC(C(F)F)C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787971	0	50	-1.0	-52.95	406.19	2.11	-50.84
CN(CCNC(=O)CC1=CN(C(C)(C)C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787972	0	51	-1.0	-56.05	436.01	1.95	-54.10
CN(CCNC(=O)[C@]12C[C@H]1[C@H](O)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787973	0	41	-1.0	-56.16	363.60	-2.27	-58.43
COCC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024787974	0	44	-1.0	-54.31	389.92	-1.06	-55.37
CN(CCNC(=O)C12CCCCC1C2(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787975	0	46	-1.0	-52.71	389.38	2.27	-50.44
CCCOCCCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787976	0	48	-1.0	-54.03	411.75	0.76	-53.27
CN(CCNC(=O)C(F)C1(O)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787977	0	46	-1.0	-54.99	393.55	-1.59	-56.58
COC1=CC=CC(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787978	0	48	-1.0	-52.47	420.77	-0.32	-52.79
CN(CCNC(=O)C1CCOCC1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787979	0	49	-1.0	-50.83	392.81	0.32	-50.51
CC1=CC(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(C)=N1	REAL300024787980	0	50	-1.0	-53.18	432.48	2.38	-50.80
CN(CCNC(=O)C1=C2N(C)C=CN2N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787981	0	43	-1.0	-57.65	379.87	1.49	-56.16
CN(CCNC(=O)C=CC1=CN=CNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787982	0	42	-1.0	-59.67	380.13	-0.41	-60.08
C=CC1(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300024787983	0	50	-1.0	-50.78	401.08	0.56	-50.22
CC1OC2(CO)CC1(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024787984	0	48	-1.0	-53.05	408.27	-3.17	-56.22
CC1=C2C=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)N=CC2=NN1	REAL300024787985	0	44	-1.0	-54.79	393.68	-0.95	-55.74
CN(CCNC(=O)C1CCCC2C1C2(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787986	0	46	-1.0	-50.24	390.67	2.41	-47.83
CC1=C(C)NC(=O)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024787987	0	45	-1.0	-58.01	389.74	-0.18	-58.19
CC1CC1C1=NOC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787988	0	45	-1.0	-54.98	396.14	1.72	-53.26
CN(CCNC(=O)C1CC=CC2=CC=CC=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787989	0	47	-1.0	-54.59	403.96	3.67	-50.92
CC1=CC=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024787990	0	40	-1.0	-56.61	362.86	-0.47	-57.08
CCCC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)OC=N1	REAL300024787991	0	44	-1.0	-51.80	388.32	-1.72	-53.52
CN(CCNC(=O)C1COC2=CC=C(F)C=C21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787992	0	44	-1.0	-55.89	393.16	1.19	-54.70
CN(CCNC(=O)C1CCC2=CC=NN2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787993	0	46	-1.0	-53.83	393.76	0.70	-53.13
CN(CCNC(=O)CCCCCF)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787994	0	44	-1.0	-53.54	384.32	1.62	-51.92
CN(CCNC(=O)CC1OCCCC1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787995	0	52	-1.0	-53.91	416.67	1.85	-52.06
CN(CCNC(=O)C1CCCCC12CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787996	0	52	-1.0	-50.66	411.02	3.55	-47.11
CC1=CC=CN2N=CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)=C12	REAL300024787997	0	45	-1.0	-55.97	389.05	1.85	-54.12
CN(CCNC(=O)C1=NOC(C(C)(C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787998	0	49	-1.0	-48.23	413.05	0.52	-47.71
CCC(C)(C)C(C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787999	0	53	-1.0	-50.72	413.67	2.40	-48.32
CN(CCNC(=O)C1(F)CCCOC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788000	0	43	-1.0	-51.35	370.73	-0.68	-52.03
CN(CCNC(=O)C=CCOCC(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788001	0	43	-1.0	-57.07	401.59	0.24	-56.83
C#CC[C@]1(O)C[C@@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024788002	0	45	-1.0	-55.43	395.83	-1.02	-56.45
CN(CCNC(=O)C1CC2(CC2F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788003	0	43	-1.0	-53.16	378.84	1.90	-51.26
COC(F)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788004	0	36	-1.0	-54.54	331.85	-2.00	-56.54
CN(CCNC(=O)C1=CC=C(C(C)(C)C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788005	0	50	-1.0	-51.67	422.55	2.26	-49.41
CCC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)ON=C1	REAL300024788007	0	41	-1.0	-49.32	367.33	0.31	-49.01
CN(CCNC(=O)C1CN(CC(F)F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788008	0	44	-1.0	-57.24	387.82	-2.09	-59.33
CC1=C(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300024788009	0	42	-1.0	-53.21	382.35	1.81	-51.40
CN(CCNC(=O)C(F)(F)CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788010	0	45	-1.0	-49.03	404.88	3.05	-45.98
CC1=CC(Cl)=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024788011	0	41	-1.0	-50.03	384.20	0.84	-49.19
CCC(C)CCC(O)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788012	0	54	-1.0	-54.79	444.19	1.02	-53.77
COC1=CC=CC(C)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788013	0	46	-1.0	-54.35	400.79	1.19	-53.16
CN(CCNC(=O)C1=CN(C2CC2)N=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788014	0	42	-1.0	-52.18	379.25	-0.71	-52.89
CN(CCNC(=O)COC1=NOC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788015	0	39	-1.0	-56.24	360.05	-1.86	-58.10
CN(CCNC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788016	0	57	0.0	-75.58	438.54	2.99	-72.59
CN(CCNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788016	1	57	0.0	-75.53	438.81	3.00	-72.53
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
CCC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC(O)CC1	REAL300024788018	0	52	-1.0	-55.44	414.50	-0.79	-56.23
CC1=COC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024788019	0	42	-1.0	-51.24	372.12	0.83	-50.41
CC1=CSC(C(C)C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024788020	0	44	-1.0	-54.20	396.99	0.43	-53.77
CN(C)CC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024788021	0	47	-1.0	-50.59	409.89	-0.89	-51.48
CN(CCNC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788021	1	48	0.0	-82.15	413.13	1.67	-80.48
CN(CCNC(=O)C1=C(C2CC2)C=CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788022	0	43	-1.0	-52.40	380.27	1.60	-50.80
CN(CCNC(=O)C1=C2N=CN(C)C2=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788023	0	45	-1.0	-64.16	396.23	2.92	-61.24
CN(CCNC(=O)CC1CC1(Cl)Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788024	0	39	-1.0	-53.52	375.61	1.71	-51.81
CN(CCNC(=O)CC1=CN=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788025	0	40	-1.0	-58.06	361.21	-1.38	-59.44
CN(CCNC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788026	0	50	0.0	-80.06	422.50	1.49	-78.57
CN(C)CC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024788026	1	49	-1.0	-51.90	420.04	-0.65	-52.55
CC(C)C1=NN=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024788027	0	43	-1.0	-50.22	395.79	-0.45	-50.67
CSC1=CC=CC(F)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788028	0	43	-1.0	-55.96	397.76	2.28	-53.68
CN(CCNC(=O)C(O)C1=CN(C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788029	0	43	-1.0	-56.31	385.79	-2.14	-58.45
CCC1OCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788030	0	46	-1.0	-53.87	384.50	0.01	-53.86
CN(CCNC(=O)C12CC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788031	0	40	-1.0	-51.94	351.93	1.12	-50.82
CCCC(C)=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788032	0	45	-1.0	-50.11	385.88	2.00	-48.11
CN(CCNC(=O)C1=CC=CC(C#CCO)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788033	0	45	-1.0	-58.29	408.82	0.25	-58.04
CN(CCNC(=O)C1=NC(C2CC2)=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788034	0	42	-1.0	-55.68	386.67	0.58	-55.10
C=C[C@H](C)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788035	0	42	-1.0	-50.88	364.24	1.04	-49.84
CN(CCNC(=O)C1=CC(C2CCC2)=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788036	0	46	-1.0	-51.60	397.51	0.45	-51.15
CN(CCNC(=O)C1=NOC2=C(F)C=CC=C12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788037	0	41	-1.0	-50.79	380.01	0.80	-49.99
CN(CCNC(=O)C=CS(C)(=O)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788038	0	39	-1.0	-58.03	366.57	-3.49	-61.52
CN(CCNC(=O)C1=NC2=CC=NN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788039	0	41	-1.0	-51.76	373.24	0.44	-51.32
CN(CCNC(=O)C=CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788040	0	49	0.0	-76.23	409.10	2.13	-74.10
CN(CCNC(=O)C=CC1=CN(C)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788041	0	43	-1.0	-55.58	386.57	0.47	-55.11
CN(CCNC(=O)C=CC1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788042	0	40	-1.0	-51.49	358.51	1.32	-50.17
CN(CCNC(=O)C12CCC(CC1)O2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788043	0	44	-1.0	-51.43	372.63	-0.34	-51.77
CN(CCNC(=O)C1=CNC2=NC=NC=C12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788044	0	41	-1.0	-59.60	370.63	0.50	-59.10
CN(CCNC(=O)C1=CN=C2NC=NC=C12)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788044	1	41	-1.0	-63.13	368.15	0.65	-62.48
CN(CCNC(=O)C1=CN=CC(C(C)(C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788045	0	50	-1.0	-51.56	419.84	1.95	-49.61
CN(CCNC(=O)C1=CC=C(CO)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788046	0	42	-1.0	-53.50	374.10	-2.89	-56.39
CSC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=NN1C	REAL300024788047	0	43	-1.0	-54.15	394.54	0.09	-54.06
CCC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024788048	0	47	-1.0	-51.19	398.63	1.34	-49.85
CC1=CN=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024788049	0	44	-1.0	-51.88	384.57	0.95	-50.93
CC=C(CC)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788050	0	42	-1.0	-51.24	362.58	1.15	-50.09
CN(CCNC(=O)C12CCCC1CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788051	0	49	-1.0	-52.02	396.47	2.72	-49.30
CC1=C(F)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024788052	0	39	-1.0	-55.79	359.09	-1.48	-57.27
CC1=NNC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300024788052	1	39	-1.0	-53.83	358.30	-1.42	-55.25
CN(CCNC(=O)C(F)(F)C1=CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788053	0	44	-1.0	-50.20	389.07	0.04	-50.16
CN(CCNC(=O)CC12CC(C1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788054	0	43	-1.0	-52.15	367.01	1.86	-50.29
CN(CCNC(=O)C1CC1(C)Br)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788055	0	39	-1.0	-52.79	361.49	1.21	-51.58
CN(CCNC(=O)C1=CNC=C(F)C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788056	0	39	-1.0	-62.50	357.59	-0.53	-63.03
CC1=CC=CN2N=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)C=C12	REAL300024788057	0	45	-1.0	-55.36	400.33	1.73	-53.63
C#CCC(CC#C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788058	0	42	-1.0	-50.13	379.81	2.49	-47.64
CN(CCNC(=O)C(F)(F)C1=CN=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788059	0	40	-1.0	-52.26	371.18	-0.76	-53.02
CCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)O	REAL300024788060	0	45	-1.0	-49.67	375.48	-1.87	-51.54
CCC(NC(N)=O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788061	0	44	-1.0	-53.14	378.04	-4.71	-57.85
CN(CCNC(=O)C1=CC=C2N=S=NC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788062	0	40	-1.0	-55.13	372.44	-0.21	-55.34
CN(CCNC(=O)[C@@H]1C[C@H]1C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788063	0	39	-1.0	-50.51	362.66	0.92	-49.59
CN(CCNC(=O)CC1(C)CC1(Cl)Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788064	0	42	-1.0	-54.11	394.18	2.14	-51.97
CN(CCNC(=O)C1CC[NH+](C2CC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788065	0	52	0.0	-74.53	417.99	2.73	-71.80
CN(CCNC(=O)C1(CO)CCOCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788066	0	47	-1.0	-51.60	385.32	-3.02	-54.62
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)S(N)(=O)=O	REAL300024788067	0	40	-1.0	-64.80	366.12	-5.76	-70.56
CN(CCNC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788068	0	46	-1.0	-52.61	401.15	3.49	-49.12
CN(CCNC(=O)C1CN(S(C)(=O)=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788069	0	44	-1.0	-57.48	399.45	-3.56	-61.04
CN(CCNC(=O)C1(S(N)(=O)=O)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788070	0	41	-1.0	-53.06	376.19	-4.91	-57.97
CN(CCNC(=O)C1=COC(CO)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788071	0	40	-1.0	-57.39	365.06	-3.10	-60.49
CC(C)[C@H]1CC[C@@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024788072	0	54	-1.0	-51.09	423.52	3.27	-47.82
CN(CCNC(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788073	0	44	-1.0	-68.09	391.14	0.08	-68.01
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(CO)=NO1	REAL300024788074	0	42	-1.0	-52.36	383.10	-3.09	-55.45
COCN1N=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788075	0	43	-1.0	-53.97	382.97	-2.24	-56.21
CN(CCNC(=O)C1CC2=CC=CC=C2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788076	0	46	-1.0	-52.28	395.30	3.17	-49.11
COC1=NSC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788077	0	39	-1.0	-56.68	365.11	-1.67	-58.35
CN(CCNC(=O)C12CC1(C1=CC=CC=C1)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788078	0	47	-1.0	-54.73	416.36	4.32	-50.41
CN(CCNC(=O)C1CC2=CC=CN=C2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788079	0	45	-1.0	-53.97	390.10	1.38	-52.59
COC1=CN=C(F)C=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788080	0	42	-1.0	-53.79	377.71	0.14	-53.65
C=CC(C)(O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788081	0	40	-1.0	-50.22	353.89	-2.67	-52.89
CN(CCNC(=O)CCC1(O)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788082	0	46	-1.0	-53.50	390.49	-1.20	-54.70
CCC1=NN=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024788083	0	40	-1.0	-50.53	374.98	-1.05	-51.58
CN(CCNC(=O)C1=CN=CC=C1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788084	0	50	-1.0	-50.35	404.23	1.83	-48.52
CCC(C)(CO)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788085	0	45	-1.0	-50.80	376.95	-2.31	-53.11
CN(CCNC(=O)C1([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788086	0	45	0.0	-78.02	370.98	1.56	-76.46
CN(C)C1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024788086	1	44	-1.0	-50.35	373.25	-1.84	-52.19
CN(CCNC(=O)CS(=O)(=O)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788087	0	42	-1.0	-65.91	385.44	-2.09	-68.00
CN(CCNC(=O)CC[NH+]1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788088	0	48	0.0	-74.02	396.87	1.59	-72.43
CCCC(NC(C)=O)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788089	0	48	-1.0	-52.16	406.33	-0.95	-53.11
CCCN1C=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788090	0	46	-1.0	-51.71	396.13	2.52	-49.19
CC(C)CC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)COC1	REAL300024788091	0	49	-1.0	-49.78	400.01	0.45	-49.33
CN(CCNC(=O)[C@@H]1CCO[C@H]1C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788092	0	43	-1.0	-51.50	386.64	-0.39	-51.89
CN(CCNC(=O)C=CC1=CC=C(F)N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788093	0	42	-1.0	-54.02	384.18	0.82	-53.20
CC(C)CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024788094	0	53	-1.0	-51.03	421.83	3.16	-47.87
CN(CCNC(=O)CCC(O)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788095	0	42	-1.0	-53.36	383.96	-2.16	-55.52
CN(CCNC(=O)C=CC1=CN(C)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788096	0	43	-1.0	-56.21	387.42	2.08	-54.13
CC1=CC(C2CC2)=NC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788097	0	48	-1.0	-51.11	409.65	2.41	-48.70
CN(CCNC(=O)CC1=NN=C(C2CC2)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788098	0	45	-1.0	-65.63	398.85	0.91	-64.72
CN(CCNC(=O)CC1=NNC(C2CC2)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788098	1	45	-1.0	-58.57	400.10	0.35	-58.22
CN(CCNC(=O)CCC1CC1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788099	0	48	-1.0	-51.49	406.09	2.62	-48.87
CN(CCNC(=O)[C@@H]1C[C@H]1C1CCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788100	0	47	-1.0	-50.55	399.72	1.05	-49.50
CN(CCNC(=O)C1CCS1(=O)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788101	0	39	-1.0	-62.02	357.63	-2.54	-64.56
CN(CCNC(=O)C=CC1CCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788102	0	44	-1.0	-53.15	383.12	0.00	-53.15
CN(CCNC(=O)C#CC1CCCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788103	0	45	-1.0	-53.28	395.27	0.84	-52.44
CCOCCOCCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788104	0	49	-1.0	-52.77	424.24	-0.58	-53.35
CN(CCNC(=O)[C@@H]1CCC[C@H]1C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788105	0	49	-1.0	-51.79	406.11	3.19	-48.60
CN(CCNC(=O)C1=CC=CN=C1CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788106	0	42	-1.0	-55.69	370.33	-2.18	-57.87
CN(CCNC(=O)C1CC2(C1)CC(C)(C)C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788107	0	52	-1.0	-50.94	426.31	3.28	-47.66
C=CCN1C=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024788108	0	43	-1.0	-53.41	387.70	0.61	-52.80
CN(CCNC(=O)C(C)(C)C1=NN(C)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788109	0	48	-1.0	-60.03	409.90	1.22	-58.81
CN(CCNC(=O)C1(N2C=CN=N2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788110	0	42	-1.0	-50.61	379.37	-0.69	-51.30
CN(CCNC(=O)C12CC(C)(C1)CO2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788111	0	44	-1.0	-50.47	378.58	-0.37	-50.84
CN(CCNC(=O)C1=CN2CCOCC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788112	0	45	-1.0	-54.86	391.12	0.28	-54.58
C#CC1(O)CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024788113	0	42	-1.0	-53.69	377.68	-1.87	-55.56
CN(CCNC(=O)C1=C2N=CNC2=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788114	0	42	-1.0	-62.13	384.73	1.02	-61.11
C[C@@H]1C[C@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC(C)(C)C1	REAL300024788115	0	54	-1.0	-51.07	429.21	3.19	-47.88
CC1=C(C)NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024788116	0	43	-1.0	-53.74	377.18	0.43	-53.31
CN(CCNC(=O)C1=CC(C2CC2)=NNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788117	0	45	-1.0	-51.07	397.95	-0.50	-51.57
COCC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024788118	0	45	-1.0	-57.39	400.37	-2.30	-59.69
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)C1CCCC2=C1NC=N2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788119	0	46	-1.0	-55.02	388.08	1.72	-53.30
CN(CCNC(=O)C1CCCC2=C1N=CN2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788119	1	46	-1.0	-53.80	390.92	1.62	-52.18
CN(CCNC(=O)CC1C(C)(C)C1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788120	0	51	-1.0	-51.90	415.89	2.77	-49.13
CN(CCNC(=O)C1=CN=C(C(N)=O)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788121	0	41	-1.0	-50.54	377.39	-5.31	-55.85
CC1=C(C)C2=C(C=C(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)N2)O1	REAL300024788122	0	46	-1.0	-54.83	403.94	0.88	-53.95
CN(CCNC(=O)C1(C2(O)CCOCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788123	0	51	-1.0	-52.56	411.96	-1.50	-54.06
CN(CCNC(=O)CC(O)C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788124	0	49	-1.0	-54.66	404.44	0.41	-54.25
CN(CCNC(=O)CC1COCC(C)(C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788125	0	50	-1.0	-55.80	415.39	0.39	-55.41
CN(CCNC(=O)CCC1CC(F)(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788126	0	45	-1.0	-52.89	395.90	2.15	-50.74
CN(CCNC(=O)C=CC1=CC=CC(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788127	0	43	-1.0	-52.96	399.89	3.17	-49.79
CN(CCNC(=O)C1=C2OC=CC2=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788128	0	42	-1.0	-57.21	386.09	1.72	-55.49
CN(CCNC(=O)C1CC2CCCC21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788129	0	46	-1.0	-51.16	377.78	2.17	-48.99
CN(CCNC(=O)C1C[NH+]2CCN1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788130	0	48	0.0	-82.12	384.82	-1.68	-83.80
CN(CCNC(=O)C1CCCC2=NN=CN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788131	0	45	-1.0	-58.57	382.61	2.31	-56.26
C=CCCC(CC(C)C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788132	0	54	-1.0	-50.68	437.25	3.62	-47.06
CCC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1CCOCC1	REAL300024788133	0	52	-1.0	-52.38	413.54	1.09	-51.29
CN(CCNC(=O)C12CC(C1)CO2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788134	0	41	-1.0	-50.91	356.56	-0.87	-51.78
CN(CCNC(=O)C1CCCC2=CC=NN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788135	0	46	-1.0	-53.23	391.96	1.15	-52.08
CN(CCNC(=O)CC1CCC(O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788136	0	46	-1.0	-51.96	387.71	-1.65	-53.61
C[C@@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)(C)O	REAL300024788137	0	45	-1.0	-54.06	372.78	-1.06	-55.12
CC(C)N(C)C(=O)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788138	0	51	-1.0	-52.40	428.61	0.94	-51.46
CN(CCNC(=O)C1CC2=CC=CC=C2N1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788139	0	48	-1.0	-54.28	410.90	1.46	-52.82
CN(CCNC(=O)C12CC(C1)C[N@@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788140	0	45	-1.0	-49.82	377.84	-1.45	-51.27
CN(CCNC(=O)C12CC(C1)C[N@H+]2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788140	1	46	0.0	-76.26	380.86	1.07	-75.19
CN(CCNC(=O)C12CC(C1)CN2C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788140	1	45	-1.0	-49.82	377.84	-1.45	-51.27
CN(CCNC(=O)C1=C(C(F)F)C=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788141	0	42	-1.0	-50.35	386.16	-0.13	-50.48
CC1=CC(=O)NN=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788142	0	41	-1.0	-50.20	366.68	-2.36	-52.56
CN(CCNC(=O)CC1CCCC(C)(C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788143	0	52	-1.0	-53.38	421.82	2.20	-51.18
CN(CCNC(=O)CC12CC(C1)C(=O)NC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788144	0	47	-1.0	-58.22	396.00	-1.38	-59.60
CC1=CN=CC=C1C=CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788145	0	45	-1.0	-53.48	395.76	1.40	-52.08
COC1=CC=C(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024788146	0	46	-1.0	-53.08	409.87	0.40	-52.68
CN(CCNC(=O)CC1=CN=NN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788147	0	41	-1.0	-60.60	367.63	-1.54	-62.14
CC1=CC=C(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024788148	0	45	-1.0	-52.68	401.79	1.77	-50.91
CC1=NN=C2CC(C(=O)NCCN(C)C(=O)CSC3=NNC(=O)[N-]3)CN12	REAL300024788149	0	45	-1.0	-59.13	391.81	1.54	-57.59
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(CO1)CCC2	REAL300024793363	0	47	-1.0	-48.10	374.59	0.65	-47.45
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(=O)CC12CCC2	REAL300024793364	0	48	-1.0	-51.20	398.88	1.59	-49.61
COCC1=NOC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024793365	0	41	-1.0	-53.74	375.68	-4.26	-58.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC(O)C12CCC2	REAL300024793366	0	50	-1.0	-54.35	415.67	-0.55	-54.90
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2	REAL300024793367	0	42	-1.0	-54.35	380.89	-2.43	-56.78
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCC(=O)N21	REAL300024793368	0	47	-1.0	-65.50	394.59	-0.16	-65.66
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)C1=CCCCC1	REAL300024793369	0	46	-1.0	-50.87	391.92	2.26	-48.61
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(N2C=CC=C2)CCCC1	REAL300024793370	0	50	-1.0	-49.32	405.38	3.49	-45.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300024793371	0	52	0.0	-74.42	423.95	1.61	-72.81
C[C@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024793372	0	45	-1.0	-52.29	390.67	2.42	-49.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2(CC(F)C2)C1	REAL300024793373	0	46	-1.0	-51.68	394.01	2.28	-49.40
CCN1N=CN=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793374	0	41	-1.0	-49.16	363.66	1.27	-47.89
CC1=CC(N)=C(C)N=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793375	0	46	-1.0	-53.50	400.06	-1.48	-54.98
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)CC1=CN(C)C=N1	REAL300024793376	0	46	-1.0	-55.84	403.55	-0.16	-56.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCCC1C2(F)F	REAL300024793377	0	43	-1.0	-52.72	374.69	1.47	-51.25
CCOC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024793378	0	49	-1.0	-48.73	400.28	1.07	-47.66
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCOC(C)(C)C1	REAL300024793379	0	49	-1.0	-52.20	396.47	0.20	-52.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)(F)C1CC1	REAL300024793380	0	39	-1.0	-47.87	351.23	0.64	-47.23
CC(=O)OC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024793381	0	42	-1.0	-56.34	377.83	0.59	-55.75
CCOC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N=C(C)O1	REAL300024793382	0	45	-1.0	-54.12	401.25	-0.64	-54.76
CCCCC[C@H](O)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793383	0	51	-1.0	-53.91	429.89	0.59	-53.32
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C2CCCCC2=C1	REAL300024793384	0	48	-1.0	-52.04	402.68	1.62	-50.42
CC(=O)OC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024793385	0	41	-1.0	-52.39	380.89	0.84	-51.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCCO	REAL300024793386	0	40	-1.0	-57.77	359.18	-3.66	-61.43
CC(=O)C1=CN(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024793387	0	43	-1.0	-61.69	394.17	-1.44	-63.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NOC(C)(C)C1	REAL300024793388	0	43	-1.0	-48.76	376.28	-0.36	-49.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=C(F)C=N1	REAL300024793389	0	37	-1.0	-53.11	344.66	-0.44	-53.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)CF	REAL300024793390	0	41	-1.0	-49.66	347.71	-0.10	-49.76
CC(C)[C@@H](O)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793391	0	45	-1.0	-53.70	379.57	-1.03	-54.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C2SC=CC2=C1	REAL300024793392	0	41	-1.0	-54.99	378.38	0.50	-54.49
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC=C1[N+](=O)[O-]	REAL300024793393	0	38	-1.0	-61.36	353.07	-0.27	-61.63
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C(O)=C1	REAL300024793394	0	40	-1.0	-54.09	363.79	-1.74	-55.83
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)C1CC(=O)N(C2CC2)C1	REAL300024793395	0	47	-1.0	-56.55	398.45	0.44	-56.11
C=CCNC1=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024793396	0	44	-1.0	-49.95	404.93	0.48	-49.47
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)CO	REAL300024793397	0	42	-1.0	-50.82	352.18	-3.43	-54.25
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=CSC1=[NH2+]	REAL300024793398	0	41	0.0	-68.59	375.62	-0.03	-68.62
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC=C2OCOC2=C1	REAL300024793399	0	45	-1.0	-55.72	399.31	0.77	-54.95
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CSCC1=O	REAL300024793400	0	41	-1.0	-59.06	377.25	-0.59	-59.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(CO)=C1	REAL300024793401	0	43	-1.0	-55.28	379.35	-1.64	-56.92
C=CCC(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793402	0	42	-1.0	-50.77	360.22	0.72	-50.05
CC1=CC=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024793403	0	44	-1.0	-50.28	377.57	-0.09	-50.37
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=C2NCCCC2=C1	REAL300024793405	0	48	-1.0	-53.80	403.30	1.01	-52.79
CSCC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024793406	0	43	-1.0	-51.92	397.30	1.54	-50.38
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
CC1=CC=CC(N)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793408	0	44	-1.0	-51.05	385.45	-0.35	-51.40
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)(F)C(F)(F)F	REAL300024793409	0	35	-1.0	-47.66	335.01	-0.60	-48.26
CCSC1=CC=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793410	0	46	-1.0	-54.97	407.23	2.89	-52.08
COC1=CC=C(O)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793411	0	44	-1.0	-52.96	388.01	-2.11	-55.07
CC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1C	REAL300024793412	0	46	-1.0	-53.63	395.15	0.12	-53.51
CC(NC(=O)C1=CC=CO1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793413	0	46	-1.0	-52.88	408.46	-1.49	-54.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(CO)NC(N)=O	REAL300024793414	0	42	-1.0	-54.64	371.78	-8.68	-63.32
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(O)C=C1O	REAL300024793415	0	41	-1.0	-55.04	365.87	-3.50	-58.54
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC1=CC=CC=C1	REAL300024793416	0	43	-1.0	-53.75	391.76	2.60	-51.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC1(Cl)Cl	REAL300024793417	0	36	-1.0	-49.37	355.94	0.87	-48.50
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC(C)(C)C	REAL300024793418	0	45	-1.0	-52.87	392.62	1.59	-51.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(Cl)C=C1O	REAL300024793419	0	40	-1.0	-53.58	370.52	0.00	-53.58
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
CC1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024793420	0	43	-1.0	-52.12	377.95	1.45	-50.67
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC1=CC=CC=C1O	REAL300024793421	0	44	-1.0	-55.75	401.98	-0.22	-55.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC=CC=C1CC#N	REAL300024793422	0	46	-1.0	-53.12	409.81	2.98	-50.14
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(O)C1=CC=C(F)C=C1	REAL300024793423	0	46	-1.0	-50.96	396.10	-0.26	-51.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(O)CCSC1	REAL300024793424	0	41	-1.0	-51.18	359.84	-2.37	-53.55
CC(=O)C1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024793425	0	44	-1.0	-63.66	390.72	1.50	-62.16
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[C@H](O)C1=CC=CC=C1	REAL300024793426	0	46	-1.0	-53.64	401.07	0.62	-53.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)COC(=O)OC1	REAL300024793427	0	43	-1.0	-58.80	366.82	-0.18	-58.98
CSC1=CC=CC=C1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793428	0	46	-1.0	-52.27	410.71	3.01	-49.26
COC1=CC=C(F)C(N)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793429	0	45	-1.0	-52.24	400.60	-1.47	-53.71
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)C1=CC=CC(N)=C1	REAL300024793430	0	45	-1.0	-52.69	390.94	-2.38	-55.07
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1=CC=C(O)C(O)=C1	REAL300024793431	0	45	-1.0	-55.75	403.78	-2.32	-58.07
CC1=CC(C)=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(N)=C1	REAL300024793432	0	47	-1.0	-50.51	406.56	0.30	-50.21
CNC(=O)N1CCC[C@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793433	0	48	-1.0	-64.52	403.00	-0.48	-65.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(O)=CC(=O)N1	REAL300024793434	0	40	-1.0	-54.45	361.32	-4.07	-58.52
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=NSN=C2C=C1	REAL300024793435	0	40	-1.0	-51.65	370.96	-0.64	-52.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(O)C1=CC=CC=C1	REAL300024793436	0	46	-1.0	-53.76	401.34	0.63	-53.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=NC(C#N)=N1	REAL300024793437	0	39	-1.0	-65.29	369.52	0.35	-64.94
CC1CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCC1=O	REAL300024793438	0	47	-1.0	-55.47	390.22	0.99	-54.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(O)CCCCCC1	REAL300024793439	0	49	-1.0	-52.04	381.99	-0.14	-52.18
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=CC(O)=CC([N+](=O)[O-])=C1	REAL300024793440	1	42	-1.0	-57.94	383.93	-1.18	-59.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC(Cl)=C1N	REAL300024793441	0	40	-1.0	-51.59	369.25	-2.14	-53.73
COC(=O)C1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024793442	0	42	-1.0	-50.57	387.63	0.33	-50.24
CNC(=O)N1CCC[C@@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793443	0	48	-1.0	-59.82	408.12	-1.47	-61.29
CC1=NC(N)=C(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024793444	0	46	-1.0	-63.51	404.76	-2.36	-65.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(CC#N)C1=CC=CC=C1	REAL300024793445	0	46	-1.0	-56.52	410.36	2.94	-53.58
CC1CCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793446	0	45	-1.0	-51.02	369.83	1.48	-49.54
CC1CCC(O)(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024793447	0	49	-1.0	-49.07	397.21	-0.80	-49.87
CC1CCC(C)(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793448	0	48	-1.0	-51.16	385.17	1.65	-49.51
CC1=CC(O)=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793449	0	43	-1.0	-52.38	376.83	-1.17	-53.55
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)SC2=CN=CN21	REAL300024793450	0	42	-1.0	-50.65	382.26	2.20	-48.45
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(O)CCC(C)(C)CC1	REAL300024793451	0	52	-1.0	-48.75	411.44	-0.37	-49.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC=C(O)C(O)=C1	REAL300024793452	0	44	-1.0	-57.22	395.02	-2.83	-60.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(O)=CC(O)=C1	REAL300024793453	0	41	-1.0	-55.25	366.77	-4.69	-59.94
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(O)=C(F)C=C1N	REAL300024793454	0	42	-1.0	-50.89	377.80	-3.67	-54.56
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC(=O)C1=CC=CN1	REAL300024793455	0	45	-1.0	-52.13	401.10	0.52	-51.61
CCOC(=O)C(CC)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793456	0	47	-1.0	-57.50	397.59	2.10	-55.40
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(=O)C1=CN=CN1C	REAL300024793457	0	41	-1.0	-52.33	365.77	0.39	-51.94
CC1=C(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300024793458	0	42	-1.0	-52.33	382.63	1.80	-50.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)(F)CC1=CC=CC=C1	REAL300024793459	0	45	-1.0	-48.14	402.48	2.90	-45.24
CNC1=NC(C)=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024793460	0	45	-1.0	-50.81	396.76	1.21	-49.60
CC1=CC(Cl)=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793461	0	41	-1.0	-49.43	381.67	1.35	-48.08
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C(C#N)O1	REAL300024793462	0	40	-1.0	-50.40	369.60	0.45	-49.95
CCC(C)CCC(O)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793463	0	54	-1.0	-53.74	444.20	0.97	-52.77
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN2N=CN=C2N=C1	REAL300024793464	0	40	-1.0	-56.90	361.66	1.96	-54.94
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2=CSC=C2C1	REAL300024793465	0	43	-1.0	-51.07	382.21	1.93	-49.14
CCNC1=CN=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793466	0	46	-1.0	-53.62	397.92	-1.15	-54.77
CCOC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=CS1	REAL300024793467	0	43	-1.0	-56.00	387.42	1.14	-54.86
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C2C3CC1CC32	REAL300024793468	0	44	-1.0	-51.42	367.52	1.97	-49.45
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC=C1C(C)(C)C	REAL300024793469	0	50	-1.0	-53.32	407.79	2.13	-51.19
CC1=C(C2CC2)ON=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793470	0	45	-1.0	-50.05	396.27	1.97	-48.08
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=C([N+](=O)[O-])N1C	REAL300024793471	0	41	-1.0	-49.36	372.96	1.89	-47.47
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H](O)C1CCCC1	REAL300024793472	0	46	-1.0	-50.38	380.45	-0.32	-50.70
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC(C)(C)CC1	REAL300024793473	0	54	-1.0	-49.79	412.29	2.61	-47.18
COC(=O)[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024793474	0	48	-1.0	-56.30	411.10	1.64	-54.66
COCC(C)(O)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793475	0	46	-1.0	-55.91	392.52	-2.43	-58.34
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(O)CCCC(C)(C)CC1	REAL300024793476	0	55	-1.0	-47.68	424.07	0.43	-47.25
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@]1(C)C(F)(F)F	REAL300024793477	0	42	-1.0	-48.72	376.45	1.37	-47.35
CC(CC1=CC=NC=C1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793478	0	47	-1.0	-51.56	400.07	1.33	-50.23
COC1CC(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793479	0	49	-1.0	-53.32	416.43	0.92	-52.40
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C2COCCC2=C1	REAL300024793480	0	46	-1.0	-52.63	393.66	-0.80	-53.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1C[C@H]1C(C)(F)F	REAL300024793481	0	42	-1.0	-50.55	376.41	1.39	-49.16
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN=C2C=CC=CN21	REAL300024793482	0	41	-1.0	-54.97	368.26	1.93	-53.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C#N)=CC=N1	REAL300024793483	0	39	-1.0	-53.77	363.83	0.73	-53.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2C(N)=NC=CN2N=C1	REAL300024793485	0	43	-1.0	-53.38	381.83	-1.89	-55.27
C[C@@H](OCC[NH+](C)C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793486	0	51	0.0	-72.65	421.61	1.41	-71.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2OC(=O)OC2=C1	REAL300024793487	0	41	-1.0	-54.82	374.51	1.59	-53.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2(CO1)CCOCC2	REAL300024793488	0	51	-1.0	-55.71	415.25	0.04	-55.67
CNC(=O)NC(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793489	0	44	-1.0	-52.43	383.01	-3.98	-56.41
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12COC(C1)CCO2	REAL300024793490	0	45	-1.0	-50.05	372.38	-1.83	-51.88
CCN1C=NN=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793491	0	41	-1.0	-52.66	364.07	1.63	-51.03
CCC(=CC1=CC=CC=C1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793492	0	49	-1.0	-50.40	418.56	3.64	-46.76
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C2CCC2)CC1	REAL300024793493	0	46	-1.0	-51.73	379.39	1.96	-49.77
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]21	REAL300024793494	0	43	-1.0	-50.49	360.95	1.47	-49.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(F)C(C)(C)C1(C)C	REAL300024793495	0	48	-1.0	-47.92	397.92	1.90	-46.02
C[C@H]1C(=O)N(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[C@H]1C	REAL300024793496	0	48	-1.0	-58.32	414.53	0.13	-58.19
CC(C)[C@@H]1CCC[C@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793497	0	51	-1.0	-50.17	408.78	2.53	-47.64
COC(=O)C1=CSC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793498	0	42	-1.0	-59.12	391.92	0.60	-58.52
CC(C)CC1=NC=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024793499	0	49	-1.0	-49.46	420.55	2.04	-47.42
CCOC(=O)C1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024793500	0	46	-1.0	-50.77	399.94	-0.47	-51.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC2(CCCC2)CO1	REAL300024793501	0	53	-1.0	-53.27	431.10	2.36	-50.91
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2(CCOCC2)O1	REAL300024793502	0	51	-1.0	-56.21	417.75	0.40	-55.81
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(CCF)C=C1	REAL300024793503	0	42	-1.0	-53.36	379.37	0.49	-52.87
COC(=O)C1=C(C)C=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024793504	0	45	-1.0	-50.30	405.46	0.90	-49.40
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=NNC=C2N=C1	REAL300024793505	0	41	-1.0	-58.02	365.26	-2.09	-60.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1	REAL300024793506	0	47	-1.0	-53.62	412.09	0.56	-53.06
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(NC2=CC=CC=C2)CC1	REAL300024793507	0	48	-1.0	-53.04	411.79	1.92	-51.12
COC1=CC=C(F)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024793508	0	45	-1.0	-53.83	400.53	-1.42	-55.25
CC(=CC1=CC=CC=N1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793509	0	45	-1.0	-52.67	397.43	2.27	-50.40
CC(C)C1=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CO1	REAL300024793510	0	44	-1.0	-49.89	389.03	-0.94	-50.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CON=C1C1CCCO1	REAL300024793511	0	46	-1.0	-56.49	401.69	-0.47	-56.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CSC(Cl)=C1	REAL300024793512	0	39	-1.0	-52.27	380.27	1.66	-50.61
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC(F)C1	REAL300024793513	0	42	-1.0	-55.53	356.85	0.56	-54.97
CCC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024793514	0	43	-1.0	-53.25	374.57	0.77	-52.48
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
CC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC(N)=C1Cl	REAL300024793516	0	44	-1.0	-51.58	394.67	0.08	-51.50
CCC1=CC=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793517	0	44	-1.0	-51.21	385.91	1.75	-49.46
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C1CCCCC1	REAL300024793518	0	57	-1.0	-49.70	442.04	3.70	-46.00
CC(C)C1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024793519	0	52	-1.0	-50.45	417.05	-0.12	-50.57
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C#CC1CCCO1	REAL300024793520	0	42	-1.0	-54.02	377.97	0.05	-53.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300024793521	0	46	-1.0	-53.47	386.27	2.06	-51.41
C=CCC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC=CC1	REAL300024793522	0	47	-1.0	-51.59	390.80	2.16	-49.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12COC(C1)CCC2	REAL300024793523	0	47	-1.0	-52.41	374.50	-0.33	-52.74
CC1OCCC1(F)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793524	0	43	-1.0	-50.00	361.24	-0.72	-50.72
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(=O)C=CC1=CC=CC=C1	REAL300024793525	0	45	-1.0	-49.25	402.69	2.62	-46.63
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)NC1=CC=CC=N1	REAL300024793526	0	49	-1.0	-49.36	402.90	0.06	-49.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC2=C1COC2(C)C	REAL300024793527	0	47	-1.0	-51.36	409.79	-1.73	-53.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2COC(C)(C)C2=NN1	REAL300024793527	1	47	-1.0	-51.36	409.79	-1.73	-53.09
CC1=NC=C(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024793528	0	44	-1.0	-52.04	401.08	0.84	-51.20
CCC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N=CS1	REAL300024793529	0	41	-1.0	-50.42	370.85	0.62	-49.80
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=C(S1)N(C)N=C2	REAL300024793530	0	42	-1.0	-54.37	385.35	0.01	-54.36
CC1=CC=CC(SCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793531	0	46	-1.0	-53.85	413.17	3.26	-50.59
CC1=CC=CC(C(O)C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793532	0	46	-1.0	-51.69	393.04	0.38	-51.31
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=C2N=CC=CC2=N1	REAL300024793533	0	44	-1.0	-64.20	395.06	-0.14	-64.34
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCCC1=CC=CS1	REAL300024793534	0	46	-1.0	-54.27	419.44	2.39	-51.88
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CC(=O)NC2C1	REAL300024793535	0	50	-1.0	-56.55	405.00	-1.37	-57.92
CC(C)C(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)N1N=CC(N)=N1	REAL300024793536	0	49	-1.0	-52.82	422.88	-1.45	-54.27
C[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793537	0	39	-1.0	-50.75	344.34	0.52	-50.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)(F)C1=CN=CS1	REAL300024793538	0	38	-1.0	-50.17	366.42	-0.66	-50.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC12CCC(CC1)C2(C)C	REAL300024793539	0	55	-1.0	-50.08	427.78	3.43	-46.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300024793540	0	45	-1.0	-55.39	397.92	2.54	-52.85
CC1=CC=C([N+](=O)[O-])C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793541	0	44	-1.0	-62.45	395.00	3.28	-59.17
CC(=O)NC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024793542	0	48	-1.0	-50.58	398.43	-1.46	-52.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=CC=C1N	REAL300024793543	0	41	-1.0	-49.19	367.00	-0.81	-50.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=CC=CC=C1O	REAL300024793544	0	46	-1.0	-51.61	404.48	0.12	-51.49
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)O	REAL300024793545	0	39	-1.0	-49.10	338.38	-3.27	-52.37
CC1=CC=CC=C1NCCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793546	0	50	-1.0	-52.91	426.08	1.82	-51.09
CC1=CC=C(O)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793547	0	43	-1.0	-54.19	379.97	-0.73	-54.92
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
CSC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024793549	0	42	-1.0	-54.85	383.30	0.42	-54.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[NH+]1CCCCCC1	REAL300024793550	0	54	0.0	-75.13	422.57	2.46	-72.67
CC1=NN(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024793551	0	47	-1.0	-53.41	412.84	1.20	-52.21
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=CC(N)=CC=C2O1	REAL300024793552	0	44	-1.0	-52.00	392.27	-0.23	-52.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(CC#N)=C1	REAL300024793553	0	43	-1.0	-58.04	388.80	2.20	-55.84
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCC1	REAL300024793554	0	47	-1.0	-51.24	388.37	-0.52	-51.76
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCCCC1	REAL300024793554	1	47	-1.0	-51.24	388.37	-0.52	-51.76
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=CC([N+](=O)[O-])=N1	REAL300024793555	0	41	-1.0	-65.64	383.91	1.16	-64.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300024793556	0	48	0.0	-66.56	382.29	1.35	-65.21
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300024793556	1	48	0.0	-66.56	382.29	1.35	-65.21
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(CO)CC1	REAL300024793557	0	51	-1.0	-51.96	420.47	-3.19	-55.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC(CO)CC1	REAL300024793557	1	51	-1.0	-51.96	420.47	-3.19	-55.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCN1C=C([N+](=O)[O-])C=N1	REAL300024793558	0	44	-1.0	-53.20	405.54	0.78	-52.42
CSC1=CC(F)=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793559	0	43	-1.0	-53.59	387.22	2.08	-51.51
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=NN1CCC#N	REAL300024793560	0	46	-1.0	-56.52	409.10	0.62	-55.90
CC(C)=C(Br)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793561	0	39	-1.0	-49.97	363.75	0.85	-49.12
COC(=O)C1=CC=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024793562	0	44	-1.0	-51.34	398.70	0.91	-50.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCCC1	REAL300024793563	0	51	0.0	-71.48	399.62	1.83	-69.65
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)N1CCOCC1	REAL300024793564	0	48	-1.0	-51.87	390.00	-2.75	-54.62
COC(=O)C1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793565	0	51	-1.0	-58.34	423.88	1.99	-56.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCNC1=CC=CC=N1	REAL300024793566	0	46	-1.0	-53.10	403.05	0.13	-52.97
CC1=CN=C(F)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793567	0	41	-1.0	-58.96	366.95	-0.14	-59.10
CCCC1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024793568	0	44	-1.0	-52.97	395.44	0.38	-52.59
CCC1=NNC(CC)=C1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793569	0	51	-1.0	-54.29	431.31	1.00	-53.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024793570	0	43	0.0	-69.87	380.05	3.31	-66.56
COC(=O)[C@H]1C[C@@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793571	0	45	-1.0	-58.57	393.35	0.98	-57.59
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CSCC1=CC=CO1	REAL300024793572	0	44	-1.0	-52.24	410.11	2.05	-50.19
CNC1=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024793573	0	40	-1.0	-50.91	370.63	-0.89	-51.80
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(N)=C1F	REAL300024793574	0	41	-1.0	-56.77	367.91	-0.96	-57.73
CC1=NC=CN=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793575	0	40	-1.0	-52.63	361.93	-1.98	-54.61
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC1=CC=C(O)C=C1	REAL300024793576	0	49	-1.0	-54.93	427.16	0.84	-54.09
CSC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024793577	0	40	-1.0	-49.12	366.37	0.78	-48.34
CC1=CC(Cl)=CC(C)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793578	0	45	-1.0	-49.59	408.31	2.80	-46.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C#N)=CC1=CN(C)N=C1	REAL300024793579	0	44	-1.0	-51.13	395.43	0.13	-51.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C(F)F)=NO1	REAL300024793580	0	38	-1.0	-50.10	359.47	-0.43	-50.53
CC(=O)C1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CO1	REAL300024793581	0	41	-1.0	-52.38	371.76	-0.30	-52.68
COC(=O)C1=CN=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793582	0	44	-1.0	-59.64	394.90	0.84	-58.80
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NOCC1	REAL300024793583	0	37	-1.0	-49.08	335.13	-1.78	-50.86
COC1=CC=CC(C)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793584	0	46	-1.0	-53.50	401.25	1.10	-52.40
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN(C2CC2)N=N1	REAL300024793585	0	42	-1.0	-51.37	376.65	-0.46	-51.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COC1=NOC=C1	REAL300024793586	0	39	-1.0	-55.96	359.78	-1.88	-57.84
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300024793587	0	57	0.0	-74.98	429.75	2.44	-72.54
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300024793587	1	57	0.0	-74.98	429.75	2.44	-72.54
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
CCC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCC(O)CC1	REAL300024793589	0	52	-1.0	-55.08	404.85	-1.32	-56.40
CC1=COC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300024793590	0	42	-1.0	-51.40	369.04	0.84	-50.56
CC1=CSC(C(C)C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024793591	0	44	-1.0	-52.01	393.73	0.19	-51.82
CN(C)CC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024793592	0	48	0.0	-81.73	409.56	1.62	-80.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300024793592	1	48	0.0	-81.73	409.56	1.62	-80.11
COC1=CC(C)=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024793593	0	48	-1.0	-51.74	410.31	-0.81	-52.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=C(F)C=CC=C1C#N	REAL300024793594	0	43	-1.0	-55.36	397.16	2.35	-53.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(C2CC2)C=CO1	REAL300024793595	0	43	-1.0	-52.05	377.97	1.65	-50.40
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2N=CN(C)C2=CC=C1	REAL300024793596	0	45	-1.0	-63.12	396.88	2.42	-60.70
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC1(Cl)Cl	REAL300024793597	0	39	-1.0	-53.08	375.34	1.65	-51.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CN=CC=N1	REAL300024793598	0	40	-1.0	-56.86	361.45	-1.38	-58.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300024793599	0	49	-1.0	-54.65	418.06	-1.37	-56.02
CN(C)CC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024793599	1	49	-1.0	-54.65	418.06	-1.37	-56.02
CC(C#N)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793600	0	39	-1.0	-51.02	350.77	0.16	-50.86
CC(C)C1=NN=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024793601	0	43	-1.0	-49.78	393.34	-0.17	-49.95
COC(=O)C1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)OC=C1	REAL300024793602	0	42	-1.0	-58.68	380.44	1.07	-57.61
COC(=O)CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=CO1	REAL300024793603	0	45	-1.0	-56.05	404.98	0.75	-55.30
CSC1=CC=CC(F)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793604	0	43	-1.0	-55.48	397.70	2.19	-53.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(N)=CC=N1	REAL300024793605	0	40	-1.0	-51.82	358.04	-1.78	-53.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)C1=CN(C)N=C1	REAL300024793606	0	43	-1.0	-56.23	377.27	-2.69	-58.92
CCC1OCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793607	0	46	-1.0	-53.03	383.41	0.03	-53.00
COC1=CC(C)=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024793608	0	45	-1.0	-50.93	392.42	-1.62	-52.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC(CO)(CC1)CC2	REAL300024793609	0	53	-1.0	-51.03	414.17	-0.75	-51.78
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
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(N)[N-]C1=O	REAL300024793610	1	39	-2.0	-101.38	364.09	-3.76	-105.14
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C1=CC=CC=N1	REAL300024793611	0	47	-1.0	-56.74	390.13	1.48	-55.26
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC2=C1OCO2	REAL300024793612	0	42	-1.0	-57.12	374.05	-0.24	-57.36
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)OC1=CC=CC=C1	REAL300024793613	0	49	-1.0	-54.31	400.26	2.28	-52.03
CCCC1=CC=C(N)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793614	0	50	-1.0	-50.27	423.84	1.34	-48.93
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(Cl)N=N1	REAL300024793615	0	37	-1.0	-49.23	354.88	-0.74	-49.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC(O)CC1	REAL300024793616	0	49	0.0	-76.33	401.63	-1.68	-78.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(O)CC1	REAL300024793616	1	49	0.0	-76.33	401.63	-1.68	-78.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=C(C=C1O)OCO2	REAL300024793617	0	43	-1.0	-53.73	379.82	-1.87	-55.60
CCC1=CC=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024793618	0	46	-1.0	-53.42	400.26	0.08	-53.34
CC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1O	REAL300024793619	0	44	-1.0	-55.83	388.90	-2.56	-58.39
COC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(N)=C1	REAL300024793620	0	45	-1.0	-51.48	389.02	-1.52	-53.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC1=CC=C(C#N)C=N1	REAL300024793621	0	44	-1.0	-56.69	401.63	-0.16	-56.85
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024793622	0	45	0.0	-68.76	378.08	1.22	-67.54
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024793622	1	44	-1.0	-51.40	371.84	-1.20	-52.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN(C)C1CC1	REAL300024793622	1	44	-1.0	-51.40	371.84	-1.20	-52.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC=CN1C	REAL300024793623	0	43	-1.0	-54.30	377.69	1.45	-52.85
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)N1CCN(C)CC1	REAL300024793624	0	53	0.0	-75.15	423.09	-0.36	-75.51
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024793624	1	53	0.0	-75.15	423.09	-0.36	-75.51
CC(=CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024793625	0	46	-1.0	-49.49	408.67	3.46	-46.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COC1=NSC=C1	REAL300024793626	0	39	-1.0	-53.87	369.16	-1.52	-55.39
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@]12CC[C@H](CC1=O)C2(C)C	REAL300024793627	0	51	-1.0	-53.80	400.76	1.53	-52.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+]1CCC(F)C1	REAL300024793628	0	48	0.0	-78.85	403.01	1.65	-77.20
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+]1CCC(F)C1	REAL300024793628	1	47	-1.0	-52.42	400.31	-0.77	-53.19
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCN1CCC(F)C1	REAL300024793628	1	47	-1.0	-52.42	400.31	-0.77	-53.19
CC1=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300024793629	0	41	-1.0	-58.23	369.49	-1.25	-59.48
CCOC(=O)[C@@H]1CC[C@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793630	0	51	-1.0	-58.40	429.57	2.38	-56.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C#N)CC2(CC2)C1	REAL300024793631	0	44	-1.0	-51.51	388.02	1.55	-49.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCN(C)C1=O	REAL300024793632	0	46	-1.0	-56.40	387.95	-0.47	-56.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCOC1CC1	REAL300024793633	0	43	-1.0	-50.36	378.85	-0.08	-50.44
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)NC1=CC=CC=C1	REAL300024793634	0	50	-1.0	-53.19	408.12	1.34	-51.85
CNC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(Cl)=C1	REAL300024793635	0	44	-1.0	-55.16	392.44	0.34	-54.82
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1=CN=CN1C	REAL300024793636	0	43	-1.0	-54.32	382.71	1.74	-52.58
CC1=CC=CC(C=CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793637	0	46	-1.0	-51.89	403.73	3.27	-48.62
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1=CN=CC=N1	REAL300024793638	0	43	-1.0	-54.57	374.68	-1.41	-55.98
CCCCC(O)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793639	0	51	-1.0	-50.11	430.30	-0.24	-50.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCCCC(=O)C1=O	REAL300024793640	0	48	-1.0	-55.15	409.95	0.22	-54.93
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
COC(=O)C1=CC(C)=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024793642	0	45	-1.0	-49.12	402.40	0.95	-48.17
COC1C[N@H+](C)C(C)(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793643	0	52	0.0	-76.15	406.70	-0.28	-76.43
COC1C[N@@H+](C)C(C)(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793643	1	51	-1.0	-52.57	407.05	-2.81	-55.38
COC1CN(C)C(C)(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793643	1	51	-1.0	-52.57	407.05	-2.81	-55.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCCCO	REAL300024793644	0	45	-1.0	-53.84	389.15	-1.88	-55.72
CC1=NNC2=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C=CC=C12	REAL300024793645	0	45	-1.0	-58.43	391.62	0.39	-58.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CS(=O)CCC1	REAL300024793646	0	42	-1.0	-65.22	377.02	-1.61	-66.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C#N)CC2CCC1CC2	REAL300024793647	0	50	-1.0	-52.30	401.07	1.97	-50.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CNS(N)(=O)=O	REAL300024793648	0	39	-1.0	-59.90	363.10	-8.06	-67.96
COC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCSC1	REAL300024793649	0	44	-1.0	-48.96	373.53	-0.32	-49.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CSN=C1Cl	REAL300024793650	0	35	-1.0	-55.52	342.95	-0.82	-56.34
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C(F)F)CCOCC1	REAL300024793651	0	46	-1.0	-49.25	375.60	-0.75	-50.00
CC1=NC=C([N+](=O)[O-])N1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793652	0	44	-1.0	-60.10	400.72	2.36	-57.74
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NN=C1NC1CC1	REAL300024793653	0	46	-1.0	-54.20	402.89	0.09	-54.11
COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793654	0	42	-1.0	-56.82	379.24	0.53	-56.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2C(C#N)=CNC2=C1	REAL300024793655	0	44	-1.0	-56.28	398.05	1.51	-54.77
CC1=CON=C1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793656	0	41	-1.0	-55.04	369.07	0.01	-55.03
CCOCC(N=[N+]=[N-])C(=O)N(C)CCNC(=O)CSC1=NC(=O)NN1	REAL300024793657	0	44	-1.0	-57.64	395.29	-4.88	-62.52
CCOCC(N=[N+]=[N-])C(=O)N(C)CCNC(=O)CSC1=NC(=O)[N-]N1	REAL300024793657	1	44	-1.0	-57.64	395.29	-4.88	-62.52
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC(F)(F)CO1	REAL300024793658	0	43	-1.0	-57.00	374.11	0.44	-56.56
C#CC1=CC=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793659	0	41	-1.0	-55.95	371.98	2.19	-53.76
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793660	0	48	-1.0	-56.49	412.42	1.84	-54.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C([O-])=C1F	REAL300024793661	0	40	-1.0	-55.25	370.38	-1.65	-56.90
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C(O)=C1F	REAL300024793661	1	40	-1.0	-55.25	370.38	-1.65	-56.90
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1=CC=CC(C#N)=C1	REAL300024793662	0	44	-1.0	-56.01	402.90	2.98	-53.03
CC1=CC(C#N)=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024793663	0	42	-1.0	-52.72	385.81	1.25	-51.47
CCC1=NOC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024793664	0	40	-1.0	-51.89	362.67	-2.63	-54.52
CC(CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024793665	0	50	0.0	-76.62	405.95	1.84	-74.78
CCOCN1N=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024793666	0	47	-1.0	-52.85	412.94	-3.41	-56.26
COC1=CC=CC(C=CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793667	0	47	-1.0	-54.17	411.53	1.89	-52.28
CC1=CC=C(C=CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024793668	0	43	-1.0	-50.94	394.33	2.48	-48.46
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1=CC=C(Cl)N=C1	REAL300024793669	0	42	-1.0	-52.55	394.07	1.26	-51.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(CC#N)C=CS1	REAL300024793670	0	40	-1.0	-54.73	373.52	1.08	-53.65
CCNC1=CC=C(C)C=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793671	0	50	-1.0	-50.70	422.28	1.57	-49.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=CC=C(O)C=C2N1	REAL300024793672	0	44	-1.0	-53.71	388.48	-1.26	-54.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC2=CC=CC=C21	REAL300024793673	0	46	-1.0	-52.66	395.55	3.04	-49.62
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=C(N)C=N1	REAL300024793674	0	41	-1.0	-59.20	368.82	-2.67	-61.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC2=CC=CC=C2C1	REAL300024793675	0	48	-1.0	-54.01	411.28	0.56	-53.45
CC(CCO)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793676	0	42	-1.0	-54.77	357.14	-3.24	-58.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)=CC1CC1	REAL300024793677	0	40	-1.0	-47.97	361.10	1.26	-46.71
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1COC[C@H]1C(F)(F)F	REAL300024793678	0	43	-1.0	-51.81	382.97	-0.78	-52.59
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC2=C(COCC2)S1	REAL300024793679	0	43	-1.0	-58.27	385.96	-1.80	-60.07
CC(C)N1CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCC1=O	REAL300024793680	0	52	-1.0	-53.36	421.08	0.88	-52.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C(C)(C)C)N1	REAL300024793681	0	49	-1.0	-52.68	413.12	1.80	-50.88
COC(=O)C1=NN(C)C=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793682	0	45	-1.0	-65.96	399.75	0.43	-65.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC(F)C1	REAL300024793683	0	42	-1.0	-53.96	367.67	1.27	-52.69
CC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=NC(C)=N1	REAL300024793684	0	43	-1.0	-50.49	381.19	0.64	-49.85
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)CC1CCC1	REAL300024793685	0	45	-1.0	-50.42	387.22	1.94	-48.48
COC1=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=NC=C1F	REAL300024793686	0	41	-1.0	-53.20	377.52	-2.00	-55.20
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300024793687	0	50	0.0	-70.35	398.80	-0.02	-70.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]2CCOCC12	REAL300024793687	1	50	0.0	-70.35	398.80	-0.02	-70.37
COC(=O)C12CC(CC(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)(C1)C2	REAL300024793688	0	49	-1.0	-54.18	424.33	2.40	-51.78
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)CC1CCCC1	REAL300024793689	0	48	-1.0	-51.71	403.95	2.48	-49.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2(CC2(F)F)C1	REAL300024793690	0	43	-1.0	-54.83	384.36	1.89	-52.94
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC=C1CO	REAL300024793691	0	42	-1.0	-50.97	368.64	-2.17	-53.14
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)=CC1=CNC=N1	REAL300024793692	0	40	-1.0	-54.80	366.48	0.57	-54.23
CC1=[NH+]C=C2C=CC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300024793693	0	45	-1.0	-54.40	393.63	2.26	-52.14
CC1=NC=C2C=CC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300024793693	1	45	-1.0	-54.40	393.63	2.26	-52.14
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2SC=CC2=NC=C1	REAL300024793694	0	41	-1.0	-54.28	378.96	0.58	-53.70
CCC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)N1C=CC=N1	REAL300024793695	0	45	-1.0	-49.43	392.16	0.40	-49.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCCC1CC(=O)CC2	REAL300024793696	0	51	-1.0	-53.27	400.32	1.78	-51.49
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC(=O)NC1	REAL300024793697	0	49	-1.0	-56.28	412.70	-0.91	-57.19
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C2CCCCC2=N1	REAL300024793698	0	47	-1.0	-51.00	401.34	0.82	-50.18
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[C@@H]1CCC[C@H](C2CC2)O1	REAL300024793699	0	53	-1.0	-52.49	438.01	3.48	-49.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H](O)CF	REAL300024793700	0	36	-1.0	-52.84	325.43	-3.10	-55.94
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2(C1)CCOC2	REAL300024793701	0	45	-1.0	-52.86	384.92	0.00	-52.86
CCC1(C)C=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793702	0	46	-1.0	-51.37	388.74	1.95	-49.42
CCC1(C)CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793703	0	48	-1.0	-50.59	395.94	2.05	-48.54
CC1=NN=C(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1C	REAL300024793704	0	47	-1.0	-59.29	410.04	1.75	-57.54
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1N=C2CCCCC2=N1	REAL300024793705	0	48	-1.0	-58.93	411.89	0.19	-58.74
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(F)C=C2OC=CC2=C1	REAL300024793706	0	42	-1.0	-56.32	381.12	1.48	-54.84
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC2=C1COC2	REAL300024793707	0	41	-1.0	-54.47	364.79	-1.38	-55.85
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H](N2C=NN=C2)C1	REAL300024793708	0	45	-1.0	-57.84	388.57	2.89	-54.95
CC(C(F)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024793709	0	41	-1.0	-49.08	369.59	0.76	-48.32
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN2CC(F)CC2=C1	REAL300024793710	0	43	-1.0	-57.16	382.37	0.38	-56.78
CCN1C=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024793711	0	41	-1.0	-58.32	367.39	1.26	-57.06
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2(C1)CC1(CCC1)C2	REAL300024793712	0	53	-1.0	-50.42	436.13	4.02	-46.40
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCCN1C	REAL300024793713	0	49	0.0	-66.51	391.67	-0.51	-67.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCC[N@@H+]1C	REAL300024793713	1	49	0.0	-66.56	391.95	-0.49	-67.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1COCC[N@H+]1C	REAL300024793713	1	49	0.0	-66.56	391.95	-0.49	-67.05
CCCC(C)(O)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793714	0	48	-1.0	-52.95	398.52	-0.38	-53.33
COC(=O)C(F)(F)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793715	0	38	-1.0	-51.85	355.42	0.12	-51.73
COCC1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(N)=N1	REAL300024793716	0	46	-1.0	-52.20	404.83	-3.03	-55.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CCO)CC1	REAL300024793717	0	43	-1.0	-50.87	372.04	-2.54	-53.41
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(O)C(N)=N1	REAL300024793718	0	41	-1.0	-51.89	368.28	-3.68	-55.57
CCOC(=O)C(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024793719	0	50	-1.0	-52.85	422.26	1.82	-51.03
CC(C)C(C)(O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793720	0	45	-1.0	-48.72	369.59	-1.88	-50.60
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
CC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C(Cl)C=C1N	REAL300024793722	0	44	-1.0	-54.58	395.14	0.20	-54.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC=CC(O)=C1F	REAL300024793723	0	43	-1.0	-54.01	389.54	-0.71	-54.72
CC[NH+]1CCN(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024793724	0	52	-1.0	-51.48	421.88	-2.42	-53.90
CCN1CCN(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024793724	1	52	-1.0	-51.48	421.88	-2.42	-53.90
CCC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CN(C)C1=O	REAL300024793725	0	48	-1.0	-54.98	411.69	1.24	-53.74
COC1=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024793726	0	42	-1.0	-54.74	378.04	-3.46	-58.20
COC1=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300024793726	1	42	-1.0	-54.74	378.04	-3.46	-58.20
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(=O)C1=CC(F)=CC=C1F	REAL300024793727	0	41	-1.0	-49.34	378.11	1.45	-47.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300024793728	0	41	-2.0	-90.31	380.01	-2.35	-92.66
COC(=O)C1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024793729	0	42	-1.0	-50.43	376.70	0.29	-50.14
COC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024793730	0	46	-1.0	-48.94	378.44	0.10	-48.84
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)(F)C(C)(C)O	REAL300024793731	0	42	-1.0	-47.09	364.91	-1.54	-48.63
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)C1=CC=CN=C1	REAL300024793732	0	42	-1.0	-54.52	366.68	-2.08	-56.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C#N)O1	REAL300024793733	0	37	-1.0	-49.80	351.98	0.07	-49.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COC(C)(C)C(F)(F)F	REAL300024793734	0	45	-1.0	-57.28	398.49	0.94	-56.34
CC1=CC(Cl)=CC(N)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793735	0	44	-1.0	-49.07	402.17	0.15	-48.92
CC1=C(N)C=NN1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793736	0	44	-1.0	-57.90	389.52	-2.15	-60.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC1(C)C1=CC=CC=C1	REAL300024793737	0	49	-1.0	-52.25	421.53	3.82	-48.43
CNC1=NN=C(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024793738	0	42	-1.0	-57.38	391.05	-1.66	-59.04
CC(=O)[C@@H]1C[C@H](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024793739	0	53	-1.0	-50.90	436.12	2.71	-48.19
COC(=O)CSCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793740	0	42	-1.0	-59.65	391.55	0.50	-59.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300024793741	0	38	-2.0	-100.01	364.10	0.36	-99.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2(CC(C#N)C2)C1	REAL300024793742	0	47	-1.0	-55.94	406.92	2.47	-53.47
CC(SC1=CC=CC=C1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793743	0	46	-1.0	-52.79	408.40	2.97	-49.82
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(O)=CC=C1O	REAL300024793744	0	41	-1.0	-53.55	368.90	-3.96	-57.51
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2CCCC(C1)C2=O	REAL300024793745	0	51	-1.0	-55.16	406.08	1.83	-53.33
CC(=O)C1=CN(C)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793746	0	45	-1.0	-55.93	394.12	1.04	-54.89
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(N)=CC=C1F	REAL300024793748	0	41	-1.0	-56.74	368.59	-0.99	-57.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(N)=CC=C1Cl	REAL300024793749	0	41	-1.0	-54.53	377.13	-0.57	-55.10
COC(=O)C1=CC=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793750	0	45	-1.0	-60.55	399.50	1.66	-58.89
CC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1N	REAL300024793751	0	44	-1.0	-54.32	377.48	-0.34	-54.66
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C(CO)O1	REAL300024793752	0	43	-1.0	-53.55	382.75	-2.57	-56.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC2=NC=NN21	REAL300024793753	0	40	-1.0	-63.64	369.97	2.07	-61.57
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(C)(O)C(F)(F)F	REAL300024793754	0	42	-1.0	-51.32	376.03	-1.44	-52.76
CC1=CSC(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024793755	0	41	-1.0	-53.91	379.83	-0.20	-54.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)(F)C1=CC=CC=C1	REAL300024793756	0	42	-1.0	-49.30	380.41	2.09	-47.21
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC=CC=N1	REAL300024793757	0	41	-1.0	-56.64	366.68	0.50	-56.14
CC(=O)C1=CC=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793758	0	44	-1.0	-61.22	386.66	2.99	-58.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC(Cl)=C1	REAL300024793759	0	38	-1.0	-53.85	358.28	-0.30	-54.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(O)CCC1	REAL300024793760	0	40	-1.0	-51.23	344.18	-2.56	-53.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSCC1=CC=CC=N1	REAL300024793761	0	45	-1.0	-56.52	412.66	1.65	-54.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)C1CC1	REAL300024793762	0	40	-1.0	-51.14	347.45	-1.46	-52.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC=C1CO	REAL300024793763	0	43	-1.0	-53.09	370.78	-1.48	-54.57
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN2CCCNC2=N1	REAL300024793764	0	44	-1.0	-57.59	383.65	0.94	-56.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C(N)=O)CCC1	REAL300024793765	0	43	-1.0	-48.94	370.68	-3.41	-52.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=NN=C1	REAL300024793766	0	38	-1.0	-62.11	348.73	1.85	-60.26
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2=CC=CC=C21	REAL300024793767	0	46	-1.0	-52.64	395.54	3.05	-49.59
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC([N+](=O)[O-])=C1N	REAL300024793768	0	43	-1.0	-54.36	383.68	-0.05	-54.41
CSC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300024793769	0	42	-1.0	-52.48	384.10	0.48	-52.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C(=O)NC2CC2)CC1	REAL300024793770	0	47	-1.0	-49.39	412.92	-0.59	-49.98
CCC1=NNC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1[N+](=O)[O-]	REAL300024793771	0	44	-1.0	-59.70	401.81	0.28	-59.42
CCC1=C([N+](=O)[O-])C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024793771	1	44	-1.0	-59.70	401.81	0.28	-59.42
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC2=C1OCCN2	REAL300024793772	0	46	-1.0	-57.58	391.57	0.27	-57.31
CC(=O)CCCCCCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793773	0	52	-1.0	-54.20	443.81	2.93	-51.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(N)=C1O	REAL300024793774	0	42	-1.0	-54.50	372.48	-3.39	-57.89
C=C(C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793775	0	39	-1.0	-50.65	347.75	0.32	-50.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)(F)C1=CC=CC=N1	REAL300024793776	0	41	-1.0	-52.99	374.05	0.95	-52.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C#N	REAL300024793777	0	39	-1.0	-57.65	341.73	-0.65	-58.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(O)=C1O	REAL300024793778	0	41	-1.0	-57.45	368.37	-3.25	-60.70
CCC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=NN1CC	REAL300024793779	0	48	-1.0	-52.16	411.12	0.89	-51.27
CCCN1N=C(C)C=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793780	0	48	-1.0	-52.14	409.34	1.02	-51.12
CC1=CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024793781	0	46	-1.0	-50.00	384.16	1.99	-48.01
CCSCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793782	0	39	-1.0	-53.17	357.76	0.47	-52.70
CC(=O)OCCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793783	0	41	-1.0	-56.52	370.24	0.11	-56.41
CC(C)=C(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793784	0	42	-1.0	-51.42	365.06	0.71	-50.71
CC1=C(O)C=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793785	0	43	-1.0	-53.01	374.78	-1.07	-54.08
CC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1O	REAL300024793786	0	43	-1.0	-52.84	377.59	-1.06	-53.90
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300024793787	0	40	-1.0	-53.36	373.58	-1.25	-54.61
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(Cl)C(O)=C1	REAL300024793787	1	40	-1.0	-53.36	373.58	-1.25	-54.61
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC(F)=C1Cl	REAL300024793788	0	38	-1.0	-54.23	363.04	-0.28	-54.51
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)(F)C(F)F	REAL300024793789	0	35	-1.0	-48.58	333.77	-0.55	-49.13
CC1=CC(N)=NC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793790	0	43	-1.0	-52.11	375.24	-1.41	-53.52
CC(C)C(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)N1C=CN=C1	REAL300024793791	0	48	-1.0	-55.50	409.71	2.53	-52.97
COC1=CC=C(F)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793792	0	43	-1.0	-54.35	382.75	0.41	-53.94
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=CC=C(N)N=C1	REAL300024793793	0	46	-1.0	-52.39	404.65	-0.13	-52.52
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=C(N)C(F)=C1	REAL300024793794	0	41	-1.0	-51.65	370.57	-0.92	-52.57
CC1=NN2C=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)N=C2S1	REAL300024793795	0	41	-1.0	-54.74	384.56	0.61	-54.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2C=NSC2=C1	REAL300024793796	0	41	-1.0	-52.00	378.00	1.15	-50.85
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=NS1	REAL300024793797	0	38	-1.0	-50.13	351.46	-0.57	-50.70
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC=C1[O-]	REAL300024793798	0	39	-1.0	-54.86	349.15	-2.34	-57.20
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC=C1O	REAL300024793798	1	39	-1.0	-54.86	349.15	-2.34	-57.20
CC(=O)CSCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793799	0	41	-1.0	-61.53	380.79	0.39	-61.14
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCSC1=CC=CC=N1	REAL300024793800	0	45	-1.0	-54.86	411.52	1.79	-53.07
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(O)=CC=C1F	REAL300024793801	0	40	-1.0	-55.54	364.31	-1.75	-57.29
CC(C)C1=NN=C(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024793802	0	49	-1.0	-54.29	429.05	-2.80	-57.09
CC1=CC=CC=C1C(F)(F)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793803	0	45	-1.0	-49.39	393.23	2.44	-46.95
CCNC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N=CS1	REAL300024793804	0	43	-1.0	-50.46	388.44	-0.79	-51.25
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C#N)=CS1	REAL300024793805	0	37	-1.0	-56.17	356.73	0.31	-55.86
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1(C)N=N1	REAL300024793806	0	41	-1.0	-48.78	366.90	-4.25	-53.03
CC1=CC=C(Cl)C(N)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793807	0	44	-1.0	-49.89	399.83	0.22	-49.67
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
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1=CC=C(C(N)=O)O1	REAL300024793809	0	44	-1.0	-54.22	404.89	-2.30	-56.52
CC(OC1=CC=CC(N)=C1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793810	0	48	-1.0	-56.02	411.81	0.30	-55.72
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COC1COC1	REAL300024793811	0	41	-1.0	-55.41	365.34	-1.97	-57.38
C[C@@H]1C[C@]2(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C[C@H]12	REAL300024793812	0	43	-1.0	-50.85	368.62	1.54	-49.31
CC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=NN1CCO	REAL300024793813	0	46	-1.0	-53.57	404.88	-2.48	-56.05
CC1=CC=NC(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793814	0	44	-1.0	-56.76	387.91	1.15	-55.61
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21	REAL300024793815	0	44	-1.0	-59.07	379.91	-1.91	-60.98
CCC1=NSC(N)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793816	0	43	-1.0	-50.20	393.93	-1.87	-52.07
CNC(=O)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793817	0	39	-1.0	-62.58	349.32	-1.85	-64.43
CC(OC1COC1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793818	0	44	-1.0	-55.62	380.53	-1.47	-57.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C2CCOCC2=C1	REAL300024793819	0	46	-1.0	-52.25	394.28	-0.78	-53.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CCCCC1(F)F	REAL300024793820	0	48	-1.0	-51.06	385.75	1.58	-49.48
C#CC1=CC=CC(OCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793821	0	45	-1.0	-58.59	409.42	3.22	-55.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=NN(C)C=C1[N+](=O)[O-]	REAL300024793822	0	44	-1.0	-58.41	402.32	0.35	-58.06
COC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCCOC1	REAL300024793823	0	47	-1.0	-49.63	384.69	-1.56	-51.19
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC2=C1COC2	REAL300024793824	0	44	-1.0	-54.44	382.94	0.36	-54.08
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2C=CC=CN2N=N1	REAL300024793825	0	41	-1.0	-55.92	369.41	0.07	-55.85
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNC2=CC=CC(C#N)=C12	REAL300024793826	0	44	-1.0	-67.97	390.47	1.36	-66.61
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1OCCN(C)C1=O	REAL300024793827	0	44	-1.0	-55.22	377.76	-1.64	-56.86
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(C#N)C2=CC=CC=C2N1	REAL300024793828	0	44	-1.0	-51.80	405.83	1.54	-50.26
CC1=CC=NC(N)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793829	0	43	-1.0	-51.45	380.64	-1.30	-52.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CCN(C)C1=O	REAL300024793830	0	46	-1.0	-51.49	383.11	-0.86	-52.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(N)=C(O)C(F)=C1	REAL300024793831	0	42	-1.0	-55.38	377.69	-3.74	-59.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1=C(F)C=CC=C1F	REAL300024793832	0	43	-1.0	-53.75	396.03	2.78	-50.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CCOC1CCOCC1	REAL300024793833	0	51	-1.0	-54.83	434.29	0.01	-54.82
CC(=O)C1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300024793834	0	47	-1.0	-57.74	403.39	2.18	-55.56
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(C(F)F)=N1	REAL300024793835	0	41	-1.0	-51.54	376.49	1.14	-50.40
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1=CSC=C1	REAL300024793836	0	40	-1.0	-51.44	372.11	1.56	-49.88
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1=CC=NC=N1	REAL300024793837	0	41	-1.0	-51.95	374.70	0.89	-51.06
CC(=CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(F)F	REAL300024793838	0	39	-1.0	-52.82	354.38	0.64	-52.18
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H](C(N)=O)N1C	REAL300024793839	0	48	-1.0	-63.18	405.15	-4.70	-67.88
CC1=CC(F)=NC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793840	0	41	-1.0	-50.75	366.69	-0.20	-50.95
CC1SC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300024793841	0	38	-2.0	-93.73	362.87	-3.09	-96.82
CC1=C([O-])N=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024793841	1	38	-2.0	-93.73	362.87	-3.09	-96.82
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC2(CC2)C1	REAL300024793842	0	46	-1.0	-51.16	385.00	1.88	-49.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC2=C1CCSC2	REAL300024793843	0	44	-1.0	-52.32	389.38	0.26	-52.06
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2(CSC2)C1	REAL300024793844	0	44	-1.0	-50.98	388.22	1.85	-49.13
CCOC(=O)C=CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793845	0	42	-1.0	-50.97	381.86	0.59	-50.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN2N=CC=C2C=C1	REAL300024793846	0	42	-1.0	-52.30	380.42	1.01	-51.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(O)C1	REAL300024793847	0	49	0.0	-71.68	405.22	-1.81	-73.49
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)(O)C1	REAL300024793847	1	48	-1.0	-55.45	401.68	-4.38	-59.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC(C)(O)C1	REAL300024793847	1	48	-1.0	-55.45	401.68	-4.38	-59.83
C=CCOC(=O)NCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793848	0	44	-1.0	-51.63	397.50	-2.33	-53.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCSS1	REAL300024793849	0	41	-1.0	-51.83	374.65	2.17	-49.66
CC1=CC=C(C(C)CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024793850	0	51	-1.0	-50.21	429.49	4.02	-46.19
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN=CN1C	REAL300024793851	0	38	-1.0	-52.60	342.83	0.71	-51.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[C@@H]2COC[C@H]12	REAL300024793852	0	47	-1.0	-53.59	394.48	0.42	-53.17
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC=C(C#N)C=C1F	REAL300024793853	0	43	-1.0	-54.05	399.53	2.51	-51.54
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(CC#N)C=C1	REAL300024793854	0	40	-1.0	-60.91	372.19	0.08	-60.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300024793855	0	51	0.0	-68.25	422.96	0.96	-67.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC=C1C1CC1	REAL300024793856	0	46	-1.0	-52.28	393.59	3.12	-49.16
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNN=C1C(F)(F)F	REAL300024793857	0	38	-1.0	-51.97	358.73	-2.31	-54.28
CC1=NN(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(N)=C1	REAL300024793858	0	44	-1.0	-58.88	390.57	-1.17	-60.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=NC(N)=N1	REAL300024793859	0	40	-1.0	-63.30	363.39	0.49	-62.81
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2NCCCC2=N1	REAL300024793860	0	47	-1.0	-52.66	400.68	0.23	-52.43
CC(=O)[C@@H]1C[C@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024793861	0	50	-1.0	-56.64	410.69	1.84	-54.80
CC(=O)NC(CC(C)C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793862	0	51	-1.0	-60.33	421.06	0.72	-59.61
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CCCOCC1	REAL300024793863	0	44	-1.0	-51.94	368.48	-0.52	-52.46
C[C@@H]1OCC[C@@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793864	0	43	-1.0	-53.16	362.82	-0.80	-53.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC2=NC=CC=C21	REAL300024793865	0	43	-1.0	-52.50	388.19	-0.37	-52.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=CN(C)C=C1	REAL300024793866	0	46	-1.0	-52.93	402.00	2.55	-50.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(F)C1	REAL300024793867	0	39	-1.0	-53.79	345.20	0.42	-53.37
CCC(=O)N[C@@H]1CC[C@H](C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793868	0	52	-1.0	-53.62	435.02	0.07	-53.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[C@H]2CC(=O)[C@@H]1C2	REAL300024793869	0	45	-1.0	-60.16	374.51	2.30	-57.86
COC(=O)C1=NC=CN=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793870	0	43	-1.0	-60.03	393.76	-1.32	-61.35
CCC(O)C(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793871	0	45	-1.0	-53.68	373.01	-1.09	-54.77
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2N=CNC2=NC=N1	REAL300024793872	0	40	-1.0	-58.38	363.19	0.91	-57.47
CN(C)C1=CC=CN=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793873	0	46	-1.0	-52.32	395.30	0.96	-51.36
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2N=CC=CN2C=N1	REAL300024793874	0	41	-1.0	-63.91	371.34	2.40	-61.51
CC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=NC=C1C#N	REAL300024793875	0	42	-1.0	-50.47	383.55	1.19	-49.28
CC1=CN=C(F)C=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793876	0	41	-1.0	-50.35	366.93	-0.11	-50.46
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CSC(CO)=N1	REAL300024793877	0	39	-1.0	-53.04	366.81	-3.68	-56.72
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC(=O)N1	REAL300024793881	0	40	-1.0	-57.03	358.58	-3.56	-60.59
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024793888	0	45	0.0	-73.91	380.26	0.66	-73.25
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2ON=NC2=CC=C1	REAL300024793890	0	40	-1.0	-62.03	363.98	-0.57	-62.60
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300024793894	1	52	0.0	-70.27	413.89	2.18	-68.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C)(O)C1	REAL300024793895	0	43	-1.0	-54.70	369.47	-2.50	-57.20
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(N)=N1	REAL300024793897	0	40	-1.0	-51.81	358.47	-0.99	-52.80
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(O)C=C1	REAL300024793899	0	40	-1.0	-52.24	357.75	-1.79	-54.03
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(O)=CC=C1N	REAL300024793903	0	42	-1.0	-52.27	370.53	-3.73	-56.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(Cl)C=C1N	REAL300024793904	0	41	-1.0	-49.45	376.33	-0.31	-49.76
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(N)=C1	REAL300024793905	0	41	-1.0	-53.63	359.81	-1.13	-54.76
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(Cl)N=C1	REAL300024793906	0	38	-1.0	-53.32	358.19	-0.31	-53.63
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(N)C=C1	REAL300024793909	0	41	-1.0	-53.43	360.43	-1.10	-54.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC(=O)C1=CC=CS1	REAL300024793910	0	44	-1.0	-50.99	405.75	1.83	-49.16
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(N)C([N+](=O)[O-])=C1	REAL300024793911	0	43	-1.0	-60.94	383.19	-0.23	-61.17
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CN=C1F	REAL300024793913	0	38	-1.0	-59.60	348.63	-0.74	-60.34
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCN2C=CN=C12	REAL300024793923	0	46	-1.0	-54.39	388.41	1.67	-52.72
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CC(C)[C@H](NC(N)=O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793925	0	47	-1.0	-51.09	392.75	-4.14	-55.23
CC1=CC=CC(C)=C1NCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793926	0	50	-1.0	-51.13	425.78	1.86	-49.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC1C1CCCCC1	REAL300024793927	0	52	-1.0	-50.91	418.97	3.69	-47.22
CNC1=CC(Cl)=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793928	0	44	-1.0	-49.49	397.20	0.59	-48.90
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(NC2CC2)S1	REAL300024793929	0	44	-1.0	-53.67	400.31	-0.10	-53.77
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C(=O)N=CNC1=O	REAL300024793930	0	42	-1.0	-63.01	376.86	-1.92	-64.93
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(NC=O)C=C1	REAL300024793931	0	43	-1.0	-57.97	379.88	-0.77	-58.74
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC1F	REAL300024793932	0	36	-1.0	-55.31	329.88	-0.09	-55.40
COC(=O)C1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024793933	0	44	-1.0	-59.12	397.17	-0.12	-59.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC(C#N)=C1	REAL300024793934	0	39	-1.0	-56.57	362.39	-0.42	-56.99
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC=C1C(F)F	REAL300024793935	0	42	-1.0	-58.02	370.30	1.93	-56.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC(OCCO)=C1	REAL300024793936	0	46	-1.0	-58.75	405.23	-4.43	-63.18
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COC1(C)CCC1	REAL300024793937	0	46	-1.0	-54.08	390.41	1.29	-52.79
COC(=O)C1CCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024793938	0	48	-1.0	-54.76	408.72	1.48	-53.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300024793939	0	48	0.0	-72.96	399.22	-2.16	-75.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300024793939	1	48	0.0	-72.96	399.22	-2.16	-75.12
C[C@@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024793940	0	43	-1.0	-50.73	355.20	-2.44	-53.17
C[C@@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C	REAL300024793940	1	43	-1.0	-50.73	355.20	-2.44	-53.17
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2OC=NC2=C1	REAL300024793941	0	41	-1.0	-53.44	368.22	-2.05	-55.49
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(N)N=C1	REAL300024793942	0	39	-1.0	-52.93	350.26	-1.67	-54.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCF	REAL300024793943	0	35	-1.0	-49.77	319.82	-0.74	-50.51
COC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300024793944	0	42	-1.0	-50.97	372.44	-0.40	-51.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=NN1	REAL300024793945	0	36	-1.0	-51.41	332.67	-2.21	-53.62
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CCC(C)(C)CC1	REAL300024793946	0	49	-1.0	-50.03	404.25	2.38	-47.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C=CCC1	REAL300024793947	0	40	-1.0	-50.27	344.11	0.68	-49.59
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(N)C(N)=N1	REAL300024793948	0	42	-1.0	-53.01	370.13	-2.81	-55.82
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CCC(=O)C1	REAL300024793949	0	44	-1.0	-54.75	367.36	0.13	-54.62
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(C(C)(C)C)=N1	REAL300024793950	0	50	-1.0	-50.51	418.88	2.69	-47.82
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC(O)C1	REAL300024793951	0	46	-1.0	-54.22	382.12	-1.90	-56.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C#N)CC(=O)C1	REAL300024793952	0	39	-1.0	-50.98	357.02	-0.79	-51.77
CCC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)COC1	REAL300024793953	0	43	-1.0	-53.19	362.01	-1.56	-54.75
CC1=CC=CC(C(F)(F)C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793954	0	45	-1.0	-49.44	401.82	2.76	-46.68
C#CC(C)(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793955	0	40	-1.0	-53.74	348.16	0.23	-53.51
CSC1CCCC1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793956	0	46	-1.0	-52.64	396.09	1.81	-50.83
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)CNC1=CC=C(C#N)C=C1	REAL300024793958	0	45	-1.0	-53.97	406.88	0.77	-53.20
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNC(C(F)(F)F)=C1	REAL300024793959	0	40	-1.0	-56.55	371.98	-0.10	-56.65
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H](O)CC1=CC=CC=C1	REAL300024793961	0	46	-1.0	-52.86	399.45	0.56	-52.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC2=CC=CC=C2O1	REAL300024793962	0	43	-1.0	-51.36	383.63	1.41	-49.95
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@@H+]1C	REAL300024793964	0	51	0.0	-63.70	400.57	1.91	-61.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCCC[N@H+]1C	REAL300024793964	1	51	0.0	-63.70	400.57	1.91	-61.79
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)C1=CN=CN1C	REAL300024793965	0	43	-1.0	-52.11	376.35	-1.13	-53.24
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC(=O)C2=CC=CN21	REAL300024793969	0	46	-1.0	-55.66	400.28	1.40	-54.26
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1CCOC1	REAL300024793970	0	44	-1.0	-52.83	382.06	-0.20	-53.03
CC1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(N)=C1C	REAL300024793971	0	47	-1.0	-50.40	394.68	0.43	-49.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(F)C=CN=C1Cl	REAL300024793972	0	38	-1.0	-53.57	369.72	-0.14	-53.71
COC1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300024793973	0	44	-1.0	-52.70	387.65	-3.67	-56.37
CC(C)N1N=CN=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793974	0	44	-1.0	-49.11	383.74	2.00	-47.11
CC(C)C(O)C(F)(F)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793975	0	45	-1.0	-47.50	382.68	-1.45	-48.95
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC(Cl)=C1F	REAL300024793976	0	38	-1.0	-54.98	363.52	0.87	-54.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC(=O)C1=CN(C)N=C1	REAL300024793977	0	45	-1.0	-54.56	410.06	0.34	-54.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=NC=NN2C=C1	REAL300024793978	0	41	-1.0	-53.31	375.17	1.67	-51.64
CC1=CC(=O)NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024793979	0	42	-1.0	-53.89	379.89	-1.33	-55.22
COC(C)C(O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793980	0	43	-1.0	-53.00	370.16	-3.09	-56.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2=CC=CC(O)=C21	REAL300024793981	0	47	-1.0	-56.46	406.63	0.21	-56.25
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CSC=C1C#N	REAL300024793982	0	37	-1.0	-62.56	353.43	0.32	-62.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CNC(=O)N1	REAL300024793983	0	39	-1.0	-60.16	348.02	-5.59	-65.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)CS(N)(=O)=O	REAL300024793984	0	46	-1.0	-55.23	389.29	-5.02	-60.25
COC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1O	REAL300024793985	0	47	-1.0	-53.25	406.00	-1.33	-54.58
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN2CCSC2=N1	REAL300024793986	0	41	-1.0	-54.57	375.82	1.20	-53.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC=NC(F)=C1	REAL300024793987	0	41	-1.0	-55.37	374.55	0.28	-55.09
CCC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1O	REAL300024793988	0	46	-1.0	-53.19	399.13	-0.31	-53.50
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
CCSC(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793990	0	42	-1.0	-52.96	372.55	0.88	-52.08
CCSC1=CN=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024793991	0	44	-1.0	-49.42	399.20	0.34	-49.08
CC1=C2C=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=N1	REAL300024793992	0	46	0.0	-75.27	405.66	3.76	-71.51
CC1=C2C=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300024793992	1	46	0.0	-75.27	405.66	3.76	-71.51
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300024793993	0	47	-1.0	-51.70	389.02	-1.66	-53.36
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)N1CC(C)C1	REAL300024793993	1	47	-1.0	-51.70	389.02	-1.66	-53.36
CC(=O)NCCNC(=O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793994	0	46	-1.0	-54.82	410.78	-4.84	-59.66
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC(C)(C)OC1	REAL300024793995	0	49	-1.0	-49.98	395.26	0.17	-49.81
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(F)C=CC(N)=C1F	REAL300024793996	0	41	-1.0	-55.41	379.27	-0.77	-56.18
CSCC1=CC=CN=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793997	0	45	-1.0	-53.23	412.52	1.11	-52.12
CC1CC[N@@H+]1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793998	0	45	0.0	-69.64	374.60	0.60	-69.04
CC1CC[N@H+]1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793998	1	44	-1.0	-52.13	370.16	-2.38	-54.51
CC1CCN1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793998	1	44	-1.0	-52.13	370.16	-2.38	-54.51
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C2=CC=CO2)N1	REAL300024793999	0	44	-1.0	-53.21	393.77	1.14	-52.07
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC(O)CC1=CC=CC=C1	REAL300024794000	0	49	-1.0	-56.13	425.25	1.26	-54.87
COC(C)(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024794001	0	46	-1.0	-48.56	374.43	0.10	-48.46
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1=CC=C(F)C=C1	REAL300024794002	0	43	-1.0	-51.79	388.73	2.67	-49.12
CC1=CC=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024794003	0	43	-1.0	-51.60	380.00	-1.98	-53.58
CC(C)OC1(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024794004	0	49	-1.0	-48.34	400.56	1.50	-46.84
CC1=CC=C(N)C(C)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794005	0	47	-1.0	-51.82	403.04	0.26	-51.56
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC12CC(C)(C)C2	REAL300024794006	0	49	-1.0	-50.36	411.57	2.89	-47.47
CC1=CC=CC2=C1CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)N2	REAL300024794007	0	48	-1.0	-53.54	411.02	1.20	-52.34
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300024794008	0	46	-1.0	-53.24	404.33	-3.45	-56.69
COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794009	0	45	-1.0	-53.74	388.55	1.15	-52.59
CO[C@]12CCC[C@@]1(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300024794010	0	51	-1.0	-55.62	406.64	0.88	-54.74
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCN2N=CN=C12	REAL300024794011	0	45	-1.0	-54.99	383.74	1.58	-53.41
CC1=NC=C(C=CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024794012	0	42	-1.0	-52.35	389.28	0.58	-51.77
CCSC1=CN=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794013	0	45	-1.0	-54.73	397.69	1.08	-53.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=NOC(C2CC2)=C1	REAL300024794014	0	45	-1.0	-58.68	401.05	1.87	-56.81
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC[NH+](C)C	REAL300024794015	0	45	0.0	-76.78	384.95	1.06	-75.72
CC1=CC(C(=O)C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC=C1F	REAL300024794016	0	44	-1.0	-47.13	393.09	1.98	-45.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC2=NC=NC=C21	REAL300024794017	0	42	-1.0	-52.66	383.18	-0.57	-53.23
CCN1C=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024794018	0	45	-1.0	-56.54	400.13	0.99	-55.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN2CCCNC2=C1	REAL300024794019	0	45	-1.0	-54.50	389.46	-0.72	-55.22
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
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC(C#N)C1	REAL300024794021	0	43	-1.0	-53.88	367.36	0.59	-53.29
COC(=O)C1=CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024794022	0	43	-1.0	-53.17	388.39	0.02	-53.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CCS(=O)(=O)C1	REAL300024794023	0	40	-1.0	-60.55	371.39	-3.18	-63.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC(=O)C(C)(C)C	REAL300024794024	0	52	-1.0	-59.37	436.80	2.42	-56.95
CC1=NOC(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024794025	0	44	-1.0	-52.02	391.30	1.06	-50.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CCSC1	REAL300024794026	0	38	-1.0	-50.09	352.46	0.53	-49.56
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC(F)F	REAL300024794027	0	41	-1.0	-52.36	368.89	0.95	-51.41
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=NC=C(Cl)S1	REAL300024794028	0	38	-1.0	-52.90	375.09	-0.17	-53.07
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CC(C)(C)C1	REAL300024794029	0	48	0.0	-72.00	399.23	1.37	-70.63
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CC(C)(C)C1	REAL300024794029	1	48	0.0	-72.00	399.23	1.37	-70.63
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC1=NN=CN1C	REAL300024794030	0	42	-1.0	-56.04	390.71	1.83	-54.21
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(N)=C(F)C=C1F	REAL300024794031	0	41	-1.0	-53.28	373.79	-0.92	-54.20
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCNS(C)(=O)=O	REAL300024794032	0	46	-1.0	-61.88	413.27	-3.95	-65.83
CC1=CC=C(Cl)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024794033	0	42	-1.0	-52.33	383.53	2.20	-50.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCN1C=CC=NC1=O	REAL300024794034	0	44	-1.0	-63.22	393.39	-0.98	-64.20
CCC1=CC=C(O)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024794035	0	46	-1.0	-52.84	401.45	0.03	-52.81
CC(=O)C1=CC=C(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024794036	0	47	-1.0	-56.08	413.49	2.48	-53.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COC1=CC=CC(C#N)=C1	REAL300024794037	0	44	-1.0	-59.56	403.00	2.42	-57.14
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(NCCO)C=C1	REAL300024794038	0	48	-1.0	-55.04	413.13	-2.68	-57.72
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C(F)(F)F)N1	REAL300024794039	0	40	-1.0	-50.49	372.48	0.41	-50.08
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(N)N(C(C)(C)C)N=C1	REAL300024794040	0	50	-1.0	-52.79	415.33	-0.20	-52.99
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC2=CC(O)=CC=C12	REAL300024794041	0	43	-1.0	-56.58	386.82	-1.32	-57.90
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(=O)C1=CSC(N)=N1	REAL300024794042	0	39	-1.0	-52.59	370.47	-2.30	-54.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCCC[NH+]1CCCCC1	REAL300024794043	0	57	0.0	-74.36	455.36	3.83	-70.53
CCN1C=C([N+](=O)[O-])C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024794044	0	44	-1.0	-61.05	397.21	1.92	-59.13
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(F)=CC([N+](=O)[O-])=C1	REAL300024794046	0	41	-1.0	-54.34	379.33	1.74	-52.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(N2C=NC=N2)CC1	REAL300024794047	0	42	-1.0	-49.73	378.85	1.89	-47.84
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=CC=CN1C	REAL300024794048	0	46	-1.0	-52.19	399.09	2.28	-49.91
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C#N)=CC=C1F	REAL300024794049	0	40	-1.0	-55.10	374.15	1.52	-53.58
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C#N)N1C	REAL300024794050	0	41	-1.0	-52.98	369.03	0.70	-52.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=NC=CC(N)=N1	REAL300024794051	0	42	-1.0	-56.88	378.40	-2.11	-58.99
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
CO[C@H](C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794053	0	39	-1.0	-54.18	340.63	-1.02	-55.20
CC1=CC(F)=CC(C(C)C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024794054	0	48	-1.0	-53.59	412.08	3.09	-50.50
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2CCC2=C1	REAL300024794055	0	43	-1.0	-54.13	372.40	2.39	-51.74
CC1=C(C)NC(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024794056	0	49	0.0	-68.09	418.78	1.11	-66.98
CC1=C(C)[NH+]=C(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024794056	1	49	0.0	-68.09	418.78	1.11	-66.98
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C2CCCO2)CCCC1	REAL300024794057	0	53	-1.0	-49.99	416.85	1.33	-48.66
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)N1C=NN=N1	REAL300024794058	0	43	-1.0	-65.49	367.67	-0.88	-66.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCN2C(=O)NN=C2C1	REAL300024794059	0	46	-1.0	-56.08	393.38	-1.04	-57.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC2=C1C(O)CCC2	REAL300024794060	0	47	-1.0	-57.68	397.54	-0.28	-57.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC(C1)OC2	REAL300024794061	0	44	-1.0	-51.52	364.68	-0.80	-52.32
CCC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C(C)O1	REAL300024794062	0	45	-1.0	-51.41	388.40	1.50	-49.91
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CNC(=O)CC12CCC2	REAL300024794063	0	50	-1.0	-57.63	406.41	-0.97	-58.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC12CC(O)C2	REAL300024794064	0	44	-1.0	-52.07	381.36	-1.61	-53.68
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C2CC[NH+](C)CC2)CC1	REAL300024794065	0	55	0.0	-71.10	433.37	2.98	-68.12
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1C[C@H]1C1=NN(C)C=C1	REAL300024794066	0	46	-1.0	-58.02	405.20	1.18	-56.84
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC2=CC=NN21	REAL300024794069	0	42	-1.0	-60.55	380.51	0.84	-59.71
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CON=C1C1(C)COC1	REAL300024794072	0	46	-1.0	-52.84	401.79	-1.00	-53.84
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(C)CC2=CC=CC=C2C1	REAL300024794074	0	49	-1.0	-52.68	404.59	3.21	-49.47
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C#CC1(C)CCCO1	REAL300024794075	0	45	-1.0	-53.29	397.84	0.56	-52.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(F)CCC(F)(F)CC1	REAL300024794076	0	45	-1.0	-50.07	383.43	1.44	-48.63
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC(C(C)(C)C)=NO1	REAL300024794078	0	49	-1.0	-59.75	416.03	1.51	-58.24
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1N=NC(C2CC2)=N1	REAL300024794080	0	44	-1.0	-59.14	396.98	-0.40	-59.54
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C2NCCOC2=C1	REAL300024794081	0	45	-1.0	-54.22	390.17	-1.85	-56.07
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[C@@H]1CCC[C@H]1O	REAL300024794082	0	46	-1.0	-53.05	388.09	-1.62	-54.67
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSCC[NH+](C)C	REAL300024794084	0	48	0.0	-78.90	415.71	1.79	-77.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H](N=[N+]=[N-])CC1	REAL300024794085	0	47	-1.0	-53.21	396.53	-1.81	-55.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=CC(N)=CC=C2N1	REAL300024794086	0	45	-1.0	-54.34	393.02	-0.52	-54.86
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(=O)NC1=NC=CN1	REAL300024794088	0	40	-1.0	-50.87	362.02	-0.87	-51.74
C[C@@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(Cl)=C1	REAL300024794089	0	45	-1.0	-51.36	400.98	2.86	-48.50
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C(F)(F)C12CC2	REAL300024794090	0	40	-1.0	-50.74	368.41	1.47	-49.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C#N)=CC1=CC=CC=C1	REAL300024794091	0	44	-1.0	-49.42	394.09	2.28	-47.14
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNC(=O)NC1=O	REAL300024794092	0	39	-1.0	-55.27	358.67	-4.54	-59.81
COC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024794093	0	46	-1.0	-55.47	400.10	1.88	-53.59
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)C=C1	REAL300024794094	0	38	-1.0	-54.37	354.36	0.41	-53.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([N+](=O)[O-])O1	REAL300024794095	0	38	-1.0	-49.70	361.12	0.12	-49.58
CCOC(=O)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794096	0	44	-1.0	-50.59	390.55	0.84	-49.75
CC(=O)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794097	0	40	-1.0	-50.65	357.93	-0.20	-50.85
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CCCCCC(O)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794099	0	51	-1.0	-53.93	429.89	0.59	-53.34
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNN=C1[N+](=O)[O-]	REAL300024794100	0	38	-1.0	-65.70	349.40	0.04	-65.66
CSCCCCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794101	0	45	-1.0	-50.85	400.96	1.91	-48.94
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1(O)CCCC1	REAL300024794103	0	46	-1.0	-50.31	382.54	-0.55	-50.86
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC1O	REAL300024794104	0	43	-1.0	-53.67	365.49	-2.30	-55.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1(O)CCCCC1	REAL300024794105	0	49	-1.0	-53.16	399.57	0.33	-52.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=CN=C1Cl	REAL300024794106	0	38	-1.0	-52.65	363.90	-0.19	-52.84
CC1=CC(Cl)=C(N)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024794107	0	44	-1.0	-50.12	396.36	0.35	-49.77
CC(C)C1=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CN1	REAL300024794108	0	45	-1.0	-54.07	388.35	0.27	-53.80
CC(C)C1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024794108	1	45	-1.0	-54.07	388.35	0.27	-53.80
CCC1=NC(C)=NC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794109	0	46	-1.0	-51.06	398.77	0.31	-50.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CNC1=CC=CC(F)=C1	REAL300024794110	0	44	-1.0	-53.03	392.54	0.42	-52.61
CC1=C(C)C(C)=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024794111	0	46	-1.0	-53.52	388.81	1.26	-52.26
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCCC1CO	REAL300024794112	0	49	0.0	-70.65	403.66	-1.64	-72.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCCC1CO	REAL300024794112	1	48	-1.0	-55.05	400.85	-3.94	-58.99
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCCC1CO	REAL300024794112	1	48	-1.0	-55.05	400.85	-3.94	-58.99
C[C@@H](O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794113	0	36	-1.0	-50.70	320.65	-3.19	-53.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN2C=CC=CC2=C1	REAL300024794114	0	42	-1.0	-55.25	377.67	1.35	-53.90
CCCCSCCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794115	0	48	-1.0	-49.47	422.43	2.82	-46.65
CC[NH+](CC)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794116	0	47	0.0	-69.95	380.13	0.86	-69.09
CC1=NC(SCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300024794117	0	42	-1.0	-55.14	390.75	0.03	-55.11
CC1=NN=C(SCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024794117	1	42	-1.0	-52.82	391.20	-0.29	-53.11
CC1=NNC(SCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024794117	1	42	-1.0	-52.82	391.20	-0.29	-53.11
CC1CCC(=CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024794118	0	49	-1.0	-49.75	403.99	2.83	-46.92
CC(OC1CCCC1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794119	0	49	-1.0	-54.29	405.46	1.94	-52.35
CNC1=NC=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794120	0	43	-1.0	-52.46	376.71	-0.55	-53.01
CCC1=C(C)SC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794121	0	45	-1.0	-51.12	396.06	2.18	-48.94
CC1=CC=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024794122	0	41	-1.0	-51.39	364.43	0.99	-50.40
CC(OCC1=CC=CC=C1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794123	0	49	-1.0	-56.03	422.12	2.97	-53.06
CCOC=C(C#N)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794124	0	41	-1.0	-50.86	374.07	-0.61	-51.47
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC(C)(C)C#N	REAL300024794125	0	45	-1.0	-57.56	389.24	1.20	-56.36
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)C[N@H+](C)C1CCSC1	REAL300024794127	0	49	0.0	-76.02	408.30	2.03	-73.99
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCSC1	REAL300024794127	1	48	-1.0	-51.18	405.79	-0.17	-51.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN(C)C1CCSC1	REAL300024794127	1	48	-1.0	-51.18	405.79	-0.17	-51.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(N)C=N1	REAL300024794128	0	40	-1.0	-52.49	357.94	-1.79	-54.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1CCC1	REAL300024794129	0	42	0.0	-72.25	358.64	0.20	-72.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024794129	1	42	0.0	-72.25	358.64	0.20	-72.05
CC(C)C(O)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794130	0	45	-1.0	-53.55	379.84	-1.01	-54.56
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(N)=CC(O)=C1	REAL300024794131	0	42	-1.0	-53.36	370.84	-3.98	-57.34
COC1=NOC(C)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794132	0	42	-1.0	-51.93	383.34	-2.37	-54.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC(=O)OC(C)(C)C	REAL300024794133	0	50	-1.0	-50.31	423.60	1.94	-48.37
COC1=CC(C#N)=CC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794134	0	44	-1.0	-56.72	393.07	1.90	-54.82
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(Cl)CCC1	REAL300024794135	0	40	-1.0	-52.41	358.32	1.21	-51.20
CCC(CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)SC	REAL300024794136	0	45	-1.0	-52.83	389.39	1.50	-51.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1COC(=O)C1	REAL300024794137	0	39	-1.0	-56.65	345.51	-0.66	-57.31
CC(=O)CCC(C)(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794138	0	49	-1.0	-60.27	402.24	1.02	-59.25
CC1CC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024794139	0	46	-1.0	-50.31	390.00	2.05	-48.26
CC(O)C(C)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794140	0	42	-1.0	-54.23	357.06	-2.14	-56.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1(O)CCOCC1	REAL300024794141	0	47	-1.0	-53.53	391.08	-2.09	-55.62
CC1=CC=NC(Cl)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794142	0	41	-1.0	-55.15	383.10	0.36	-54.79
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)OC(CO)=C1	REAL300024794143	0	43	-1.0	-52.69	381.25	-2.34	-55.03
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(O)CCOC1	REAL300024794144	0	41	-1.0	-53.96	350.75	-4.53	-58.49
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC(=O)C1=CC=CC=N1	REAL300024794145	0	46	-1.0	-53.38	411.35	1.10	-52.28
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2CNC(=O)C2=C1	REAL300024794146	0	44	-1.0	-62.89	388.99	-1.47	-64.36
CCC(C)(C#N)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794147	0	42	-1.0	-52.56	360.10	-0.19	-52.75
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
COC1=CC=C(O)C=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024794149	0	44	-1.0	-55.09	387.35	-1.88	-56.97
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(CO1)CCC2	REAL300024823901	0	47	-1.0	-48.10	374.59	0.65	-47.45
COCC1=NOC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024823902	0	41	-1.0	-53.74	375.68	-4.26	-58.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC(O)C12CCC2	REAL300024823903	0	50	-1.0	-54.35	415.67	-0.55	-54.90
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2	REAL300024823904	0	42	-1.0	-54.35	380.89	-2.43	-56.78
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2CCC(=O)N21	REAL300024823905	0	47	-1.0	-65.50	394.59	-0.16	-65.66
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)C1=CCCCC1	REAL300024823906	0	46	-1.0	-50.87	391.92	2.26	-48.61
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300024823907	0	52	0.0	-74.42	423.95	1.61	-72.81
C[C@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024823908	0	45	-1.0	-52.29	390.67	2.42	-49.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2(CC(F)C2)C1	REAL300024823909	0	46	-1.0	-51.68	394.01	2.28	-49.40
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)C1CCOCC1	REAL300024824049	0	47	-1.0	-51.34	389.49	-2.18	-53.52
CC[N@@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024824050	0	51	0.0	-71.25	406.10	1.82	-69.43
CC[N@H+]1CCCC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024824050	1	51	0.0	-71.25	406.10	1.82	-69.43
CCC1=NOC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024824051	0	40	-1.0	-51.89	362.67	-2.63	-54.52
CC(CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024824052	0	50	0.0	-76.62	405.95	1.84	-74.78
COC1=CC=CC(C=CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024824053	0	47	-1.0	-54.17	411.53	1.89	-52.28
CC1=CC=C(C=CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024824054	0	43	-1.0	-50.94	394.33	2.48	-48.46
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1=CC=C(Cl)N=C1	REAL300024824055	0	42	-1.0	-52.55	394.07	1.26	-51.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1CCC2=CC=CC=C21	REAL300024824056	0	46	-1.0	-52.66	395.55	3.04	-49.62
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=CC1=CC=C(C(N)=O)O1	REAL300024824057	0	44	-1.0	-54.22	404.89	-2.30	-56.52
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC2=C1COC2	REAL300024824058	0	44	-1.0	-54.44	382.94	0.36	-54.08
CC1=CN2CC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)CCC2=N1	REAL300024824059	0	49	-1.0	-53.76	411.42	1.92	-51.84
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(CC2CC2)C=C1	REAL300024824060	0	49	-1.0	-52.02	419.93	4.04	-47.98
CC1=CC(Cl)=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024824061	0	39	-1.0	-53.62	371.61	1.25	-52.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=C(C(F)F)S1	REAL300024824062	0	38	-1.0	-50.12	365.38	0.31	-49.81
CC1=NN(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024824063	0	40	-1.0	-59.02	365.54	-1.91	-60.93
CC(C)N1C=NC=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824064	0	45	-1.0	-52.73	384.23	1.44	-51.29
CC1=CN2C=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C=CC2=N1	REAL300024824065	0	45	-1.0	-54.17	401.60	2.39	-51.78
CC1=NN=C2CCC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)N12	REAL300024824066	0	45	-1.0	-63.36	392.78	1.67	-61.69
CC[N@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824067	0	44	0.0	-71.27	366.55	0.47	-70.80
CC[N@@H+](C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824067	1	43	-1.0	-50.89	364.70	-1.80	-52.69
CCN(C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824067	1	43	-1.0	-50.89	364.70	-1.80	-52.69
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=NNC(=O)N2C=C1	REAL300024824068	0	42	-1.0	-53.79	385.45	-0.45	-54.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCCC(F)(F)CC1	REAL300024824069	0	48	-1.0	-51.90	394.95	1.99	-49.91
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CN2C=NN=C12	REAL300024824070	0	41	-1.0	-58.40	367.92	2.27	-56.13
COC1CC(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024824071	0	52	-1.0	-54.05	429.28	1.28	-52.77
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C1=NN=CN1	REAL300024824072	0	44	-1.0	-58.19	372.97	0.12	-58.07
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C1=NC=NN1	REAL300024824072	1	44	-1.0	-58.19	372.97	0.12	-58.07
CC1=CC2=C(OCC2)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024824073	0	47	-1.0	-56.91	405.62	1.60	-55.31
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC=C1C1CCC1	REAL300024824074	0	46	-1.0	-53.42	393.15	0.82	-52.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC2C1C2(F)F	REAL300024824075	0	43	-1.0	-50.52	377.45	1.73	-48.79
CC1=NN(C2CCC2)C=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824076	0	49	-1.0	-55.75	412.12	1.37	-54.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)OC(F)(F)F	REAL300024824077	0	36	-1.0	-51.89	346.96	-1.58	-53.47
C=C1CC2(C1)CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024824078	0	47	-1.0	-50.94	400.90	2.71	-48.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CCN2C=NC=C2C1	REAL300024824079	0	49	-1.0	-58.58	411.85	3.03	-55.55
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CCC1(C#CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)COC1	REAL300024824085	0	45	-1.0	-52.94	400.14	0.23	-52.71
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[C@@H]2CCCC[C@H]12	REAL300024824087	0	47	-1.0	-51.46	396.29	2.71	-48.75
CC(C)C1=CNN=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824088	0	45	-1.0	-53.07	388.00	0.17	-52.90
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1C[C@H]1C1=NN=CN1	REAL300024824089	0	42	-1.0	-56.93	378.47	0.71	-56.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@@H]1C[C@H]1C1=NNC=N1	REAL300024824089	1	42	-1.0	-56.93	378.47	0.71	-56.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(C2CCC2)ON=C1	REAL300024824090	0	45	-1.0	-50.59	388.03	1.40	-49.19
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC(C)(C)F	REAL300024824091	0	44	-1.0	-50.10	378.74	1.21	-48.89
COC1CC2(C1)CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024824092	0	50	-1.0	-51.35	420.85	1.15	-50.20
CC1=NC=CC=C1C=CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824093	0	45	-1.0	-53.68	395.05	1.35	-52.33
CC1=CC=C(C=CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024824094	0	49	-1.0	-53.19	425.69	4.10	-49.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CCCC2	REAL300024824095	0	52	0.0	-65.89	396.27	1.56	-64.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@H+]1CCCC2	REAL300024824095	1	52	0.0	-65.89	396.27	1.56	-64.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC(C(F)F)C1	REAL300024824096	0	45	-1.0	-53.21	394.97	2.07	-51.14
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2C=CNC2=CN=C1	REAL300024824098	0	42	-1.0	-55.80	373.87	-0.75	-56.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL300024824099	0	44	-1.0	-53.08	384.63	0.70	-52.38
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CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=C(C=CS2)N1C	REAL300024824101	0	43	-1.0	-52.21	385.33	1.70	-50.51
CC1=NN(C(C)C)C(C)=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824102	0	51	-1.0	-53.95	438.87	1.66	-52.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C2SN=CC2=CC=C1	REAL300024824103	0	41	-1.0	-58.73	379.42	1.25	-57.48
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@@H+]1CC=CC2	REAL300024824104	0	50	0.0	-66.38	390.37	1.53	-64.85
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CCC[N@H+]1CC=CC2	REAL300024824104	1	50	0.0	-66.38	390.37	1.53	-64.85
CC(C)C(C)C(C)CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824105	0	53	-1.0	-49.81	418.47	2.63	-47.18
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)C1=CC=NN1C	REAL300024824106	0	43	-1.0	-51.60	376.20	-2.67	-54.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNC2=NC=NN2C1=O	REAL300024824107	0	41	-1.0	-73.61	379.88	1.22	-72.39
CC[C@H](CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300024824108	0	50	-1.0	-49.84	401.43	2.12	-47.72
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC2(C1)CCCO2	REAL300024824109	0	47	-1.0	-54.65	394.30	0.35	-54.30
CCC=CC=CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824110	0	43	-1.0	-50.83	381.97	1.89	-48.94
CCC1=NOC(CCC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024824111	0	46	-1.0	-51.96	407.70	-0.89	-52.85
CC1=NN(C)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1[N+](=O)[O-]	REAL300024824112	0	44	-1.0	-53.19	407.70	0.38	-52.81
CC1CCC(=CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024824113	0	46	-1.0	-50.11	387.71	2.34	-47.77
CC(OC1CCCCC1)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824114	0	52	-1.0	-54.34	424.59	2.59	-51.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C=C1[N+](=O)[O-]	REAL300024824115	0	41	-1.0	-60.69	381.40	2.73	-57.96
CCC1=NC=C(Cl)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024824116	0	43	-1.0	-49.42	393.96	1.17	-48.25
CC1=NN2C=CC=CC2=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824117	0	45	-1.0	-56.22	402.31	1.66	-54.56
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
CC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CN1	REAL300024824119	0	40	-1.0	-57.53	352.98	-0.52	-58.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1CCC(=O)N1	REAL300024824120	0	46	-1.0	-56.13	396.95	-1.42	-57.55
COCC(C)(O)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824121	0	43	-1.0	-48.87	369.28	-4.01	-52.88
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300024824122	0	43	-1.0	-50.61	360.24	1.33	-49.28
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
C=C1CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024824124	0	40	-1.0	-50.31	353.08	0.89	-49.42
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CCC(C)(C)CC1	REAL300024824125	0	52	-1.0	-49.62	416.91	3.13	-46.49
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC(=O)N(C)[N-]1	REAL300024824126	0	43	-1.0	-62.43	385.48	-1.70	-64.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC(=O)N(C)N1	REAL300024824126	1	43	-1.0	-62.43	385.48	-1.70	-64.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)C1CCCCC1	REAL300024824127	0	49	-1.0	-50.90	398.69	0.23	-50.67
CC[N@H+](CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024824128	0	48	0.0	-70.00	390.21	1.71	-68.29
CC[N@@H+](CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024824128	1	47	-1.0	-51.33	392.58	-0.35	-51.68
CCN(CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024824128	1	47	-1.0	-51.33	392.58	-0.35	-51.68
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C(C1CC1)C1CC1	REAL300024824129	0	47	-1.0	-49.37	392.79	3.01	-46.36
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(O)C1CC1	REAL300024824130	0	43	-1.0	-49.17	363.69	-1.97	-51.14
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSCC(F)(F)F	REAL300024824131	0	39	-1.0	-55.61	376.67	0.90	-54.71
CC1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024824132	0	38	-1.0	-52.05	346.62	-3.04	-55.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(F)(F)C1(O)CCCC1	REAL300024824133	0	46	-1.0	-46.96	390.01	-0.73	-47.69
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC=C1Cl	REAL300024824134	0	36	-1.0	-54.04	343.79	-1.31	-55.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(O)C1=CC=C(Cl)C=C1	REAL300024824135	0	43	-1.0	-52.95	389.86	0.26	-52.69
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N=CS1	REAL300024824136	0	38	-1.0	-50.68	350.43	-0.21	-50.89
CC1COC2=C(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)C=CC=C21	REAL300024824137	0	47	-1.0	-57.29	405.29	1.60	-55.69
CC1=CC=C(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(Cl)=N1	REAL300024824138	0	44	-1.0	-57.27	403.79	1.27	-56.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COC1=CC=C(CO)C=C1	REAL300024824139	0	47	-1.0	-57.63	414.97	-0.64	-58.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C2CC2)=CC=N1	REAL300024824140	0	45	-1.0	-51.27	392.40	2.43	-48.84
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC1F	REAL300024824141	0	39	-1.0	-51.26	345.03	0.41	-50.85
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C(F)(F)C12CCC2	REAL300024824142	0	43	-1.0	-52.37	380.90	1.94	-50.43
CC(C)C(=O)N[C@@H](CO)C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824143	0	49	-1.0	-53.90	417.23	-4.50	-58.40
CC1=CC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC(Cl)=N1	REAL300024824144	0	41	-1.0	-50.96	378.29	0.30	-50.66
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC2=C(F)C=CC=C2N1	REAL300024824145	0	43	-1.0	-55.95	384.50	1.67	-54.28
CSC1=CC=C(C)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024824146	0	46	-1.0	-50.75	405.95	2.73	-48.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(Cl)=N1	REAL300024824147	0	38	-1.0	-49.99	360.19	0.68	-49.31
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)N2C=CC=CC2=N1	REAL300024824148	0	45	-1.0	-55.76	400.98	2.15	-53.61
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024824149	0	44	-1.0	-57.11	396.89	2.70	-54.41
CN(CCNC(=O)C12CC(CO1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829988	0	47	-1.0	-49.90	384.62	0.30	-49.60
CN(CCNC(=O)C1CC(=O)CC12CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829989	0	48	-1.0	-52.47	399.66	1.82	-50.65
COCC1=NOC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024829990	0	41	-1.0	-52.27	377.83	-4.11	-56.38
CN(CCNC(=O)CC1CC(O)C12CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829991	0	50	-1.0	-55.26	415.40	-0.53	-55.79
CN(CCNC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829992	0	42	-1.0	-54.45	382.35	-2.26	-56.71
CN(CCNC(=O)C1CCC2CCC(=O)N21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829993	0	47	-1.0	-62.53	398.88	0.20	-62.33
CN(CCNC(=O)C(F)C1=CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829994	0	46	-1.0	-51.66	392.99	2.31	-49.35
CN(CCNC(=O)C1(N2C=CC=C2)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829995	0	50	-1.0	-50.97	412.49	3.66	-47.31
CN(CCNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829996	0	52	0.0	-73.89	427.51	1.90	-71.99
C[C@H](C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300024829997	0	45	-1.0	-53.43	395.30	2.74	-50.69
CN(CCNC(=O)C1CC2(CC(F)C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829998	0	46	-1.0	-52.67	395.16	2.36	-50.31
CCN1N=CN=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829999	0	41	-1.0	-49.28	366.23	0.73	-48.55
CC1=CC(N)=C(C)N=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830000	0	46	-1.0	-52.77	394.63	-1.00	-53.77
CN(CCNC(=O)C(O)CC1=CN(C)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830001	0	46	-1.0	-56.93	406.81	0.09	-56.84
CN(CCNC(=O)C12CCCC1C2(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830002	0	43	-1.0	-54.85	378.01	1.87	-52.98
CCOC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024830003	0	49	-1.0	-54.40	400.13	1.93	-52.47
CN(CCNC(=O)C1CCOC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830004	0	49	-1.0	-53.02	399.96	0.44	-52.58
CN(CCNC(=O)C(F)(F)C1CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830005	0	39	-1.0	-47.92	353.82	0.81	-47.11
CC(=O)OC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024830006	0	42	-1.0	-59.31	376.61	1.23	-58.08
CCOC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=C(C)O1	REAL300024830007	0	45	-1.0	-54.60	403.31	-1.43	-56.03
CCCCC[C@H](O)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830008	0	51	-1.0	-55.03	429.63	0.62	-54.41
CN(CCNC(=O)C1=CN=C2CCCCC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830009	0	48	-1.0	-52.04	406.33	2.12	-49.92
CC(=O)OC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300024830010	0	41	-1.0	-51.58	382.93	1.30	-50.28
CN(CCNC(=O)COCCO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830011	0	40	-1.0	-57.84	359.18	-3.65	-61.49
CC(=O)C1=CN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300024830012	0	43	-1.0	-62.91	392.99	-1.35	-64.26
CN(CCNC(=O)C1=NOC(C)(C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830013	0	43	-1.0	-49.08	378.72	-0.64	-49.72
CN(CCNC(=O)C1=NC=C(F)C=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830014	0	37	-1.0	-52.81	347.60	-1.01	-53.82
CN(CCNC(=O)C(C)(C)CF)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830015	0	41	-1.0	-49.78	356.67	0.48	-49.30
CC(C)[C@@H](O)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830016	0	45	-1.0	-54.64	382.07	-1.19	-55.83
CN(CCNC(=O)C1=CN=C2SC=CC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830017	0	41	-1.0	-52.91	380.29	0.91	-52.00
CN(CCNC(=O)C1=C([N+](=O)[O-])C=NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830018	0	38	-1.0	-57.31	353.93	-0.44	-57.75
CN(CCNC(=O)C1=NNC=C1[N+](=O)[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024830018	1	38	-1.0	-60.94	355.23	-0.48	-61.42
CN(CCNC(=O)C1=CC=C(F)C(O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830019	0	40	-1.0	-54.05	365.57	-1.34	-55.39
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)C1CC(=O)N(C2CC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830020	0	47	-1.0	-55.96	402.11	0.62	-55.34
C=CCNC1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024830021	0	44	-1.0	-50.74	407.56	-0.13	-50.87
CN(CCNC(=O)C(C)(C)CO)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830022	0	42	-1.0	-50.92	361.02	-2.81	-53.73
CN(CCNC(=O)CN1C=CSC1=[NH2+])C(=O)CSC1=NNC(=O)[N-]1	REAL300024830023	0	41	0.0	-69.29	375.89	0.05	-69.24
CN(CCNC(=O)CC1=CC=C2OCOC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830024	0	45	-1.0	-56.77	399.04	0.78	-55.99
CN(CCNC(=O)CN1CSCC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830025	0	41	-1.0	-59.56	377.52	-0.49	-60.05
CN(CCNC(=O)C1=CC=CC(CO)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830026	0	43	-1.0	-55.46	381.17	-1.24	-56.70
C=CCC(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830027	0	42	-1.0	-51.05	365.40	1.07	-49.98
CC1=CC=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024830028	0	44	-1.0	-50.97	377.17	0.41	-50.56
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=C2NCCCC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830030	0	48	-1.0	-54.26	406.17	1.43	-52.83
CSCC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024830031	0	43	-1.0	-51.36	399.48	1.52	-49.84
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
CC1=CC=CC(N)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830033	0	44	-1.0	-51.81	384.95	-0.27	-52.08
CN(CCNC(=O)C(F)(F)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830034	0	35	-1.0	-47.51	342.73	-0.25	-47.76
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
CCSC1=CC=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830035	0	46	-1.0	-54.64	405.53	3.29	-51.35
COC1=CC=C(O)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024830036	0	44	-1.0	-54.34	386.65	-0.72	-55.06
CC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(O)=C1C	REAL300024830037	0	46	-1.0	-55.01	394.20	1.23	-53.78
CC(NC(=O)C1=CC=CO1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830038	0	46	-1.0	-54.72	411.11	-1.21	-55.93
CN(CCNC(=O)C(CO)NC(N)=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830039	0	42	-1.0	-55.55	375.30	-8.40	-63.95
CN(CCNC(=O)C1=CC=C(O)C=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830040	0	41	-1.0	-56.05	368.42	-2.83	-58.88
CN(CCNC(=O)CSC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830041	0	43	-1.0	-54.09	391.77	2.60	-51.49
CN(CCNC(=O)C1CC1(Cl)Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830042	0	36	-1.0	-49.88	356.48	0.93	-48.95
CN(CCNC(=O)CSC(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830043	0	45	-1.0	-53.34	392.63	1.58	-51.76
CN(CCNC(=O)C1=CC=C(Cl)C=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830044	0	40	-1.0	-53.57	373.91	0.50	-53.07
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
CC1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024830045	0	43	-1.0	-51.33	378.04	1.48	-49.85
CN(CCNC(=O)CSC1=CC=CC=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830046	0	44	-1.0	-56.32	401.71	-0.24	-56.56
CN(CCNC(=O)CC1=CC=CC=C1CC#N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830047	0	46	-1.0	-54.03	409.55	2.99	-51.04
CN(CCNC(=O)C(C)(O)C1=CC=C(F)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830048	0	46	-1.0	-51.31	402.58	-0.25	-51.56
CN(CCNC(=O)C1(O)CCSC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830049	0	41	-1.0	-52.80	363.91	-2.28	-55.08
CC(=O)C1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024830050	0	44	-1.0	-56.01	393.65	1.92	-54.09
CN(CCNC(=O)C[C@H](O)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830051	0	46	-1.0	-54.48	401.35	0.68	-53.80
CN(CCNC(=O)C1(C)COC(=O)OC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830052	0	43	-1.0	-59.89	375.70	0.46	-59.43
CSC1=CC=CC=C1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830053	0	46	-1.0	-53.11	410.44	3.02	-50.09
COC1=CC=C(F)C(N)=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830054	0	45	-1.0	-52.77	400.08	-1.38	-54.15
CN(CCNC(=O)C(O)C1=CC=CC(N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830055	0	45	-1.0	-52.45	396.43	-1.94	-54.39
CN(CCNC(=O)C=CC1=CC=C(O)C(O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830056	0	45	-1.0	-56.16	404.88	-2.26	-58.42
CC1=CC(C)=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(N)=C1	REAL300024830057	0	47	-1.0	-51.14	406.33	0.39	-50.75
CNC(=O)N1CCC[C@H]1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830058	0	48	-1.0	-65.39	406.46	-0.24	-65.63
CN(CCNC(=O)C1=CC(O)=CC(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830059	0	40	-1.0	-54.37	364.11	-4.36	-58.73
CN(CCNC(=O)C1=CC2=NSN=C2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830060	0	40	-1.0	-55.15	372.44	-0.21	-55.36
CN(CCNC(=O)CC(O)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830061	0	46	-1.0	-54.47	401.35	0.68	-53.79
CN(CCNC(=O)CN1C=NC(C#N)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830062	0	39	-1.0	-66.39	369.32	0.41	-65.98
CC1CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCC1=O	REAL300024830063	0	47	-1.0	-55.19	396.47	1.47	-53.72
CN(CCNC(=O)C1(O)CCCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830064	0	49	-1.0	-52.38	391.70	-0.55	-52.93
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=CC(O)=CC([N+](=O)[O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830065	1	42	-1.0	-56.48	387.82	-0.74	-57.22
CN(CCNC(=O)C1=CC=NC(Cl)=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830066	0	40	-1.0	-51.70	368.61	-1.64	-53.34
COC(=O)C1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024830067	0	42	-1.0	-50.42	389.54	0.29	-50.13
CNC(=O)N1CCC[C@@H]1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830068	0	48	-1.0	-62.04	406.45	-0.27	-62.31
CC1=NC(N)=C(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024830069	0	46	-1.0	-64.20	405.03	-2.32	-66.52
CN(CCNC(=O)C(CC#N)C1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830070	0	46	-1.0	-52.30	405.16	3.30	-49.00
CC1CCCC1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830071	0	45	-1.0	-51.39	377.00	1.67	-49.72
CC1CCC(O)(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024830072	0	49	-1.0	-52.20	402.35	-0.61	-52.81
CC1CCC(C)(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024830073	0	48	-1.0	-51.29	394.56	2.21	-49.08
CC1=CC(O)=CC=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830074	0	43	-1.0	-52.51	375.38	-0.72	-53.23
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)SC2=CN=CN21	REAL300024830075	0	42	-1.0	-50.36	385.39	2.43	-47.93
CN(CCNC(=O)C1(O)CCC(C)(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830076	0	52	-1.0	-50.93	415.21	-0.32	-51.25
CN(CCNC(=O)CC1=CC=C(O)C(O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830077	0	44	-1.0	-58.05	395.02	-2.79	-60.84
CN(CCNC(=O)C1=CC(O)=CC(O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830078	0	41	-1.0	-55.23	370.39	-4.27	-59.50
CN(CCNC(=O)C1=CC(O)=C(F)C=C1N)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830079	0	42	-1.0	-50.58	375.36	-3.15	-53.73
CN(CCNC(=O)CCC(=O)C1=CC=CN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830080	0	45	-1.0	-52.95	401.10	0.55	-52.40
CCOC(=O)C(CC)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830081	0	47	-1.0	-57.79	402.43	2.47	-55.32
CN(CCNC(=O)C(=O)C1=CN=CN1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830082	0	41	-1.0	-52.28	368.69	0.41	-51.87
CC1=C(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300024830083	0	42	-1.0	-53.21	382.35	1.81	-51.40
CN(CCNC(=O)C(F)(F)CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830084	0	45	-1.0	-49.03	404.88	3.05	-45.98
CNC1=NC(C)=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024830085	0	45	-1.0	-51.11	399.40	0.62	-50.49
CC1=CC(Cl)=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024830086	0	41	-1.0	-50.03	384.20	0.84	-49.19
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=C(C#N)O1	REAL300024830087	0	40	-1.0	-51.04	370.53	0.74	-50.30
CCC(C)CCC(O)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830088	0	54	-1.0	-54.79	444.19	1.02	-53.77
CN(CCNC(=O)C1=CN2N=CN=C2N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830089	0	40	-1.0	-56.56	365.51	2.46	-54.10
CN(CCNC(=O)C1CC2=CSC=C2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830090	0	43	-1.0	-51.53	385.71	2.15	-49.38
CCNC1=CN=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024830091	0	46	-1.0	-52.07	399.93	-0.75	-52.82
CCOC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C=CS1	REAL300024830092	0	43	-1.0	-56.46	391.38	1.76	-54.70
CN(CCNC(=O)C1C2C3CC1CC32)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830093	0	44	-1.0	-52.45	370.54	2.06	-50.39
CN(CCNC(=O)C1=NC=CC=C1C(C)(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830094	0	50	-1.0	-50.41	405.98	1.87	-48.54
CC1=C(C2CC2)ON=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830095	0	45	-1.0	-50.22	398.51	1.75	-48.47
CN(CCNC(=O)C1=NC=C([N+](=O)[O-])N1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830096	0	41	-1.0	-48.73	375.82	1.36	-47.37
CN(CCNC(=O)[C@@H](O)C1CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830097	0	46	-1.0	-51.66	384.26	-0.09	-51.75
CN(CCNC(=O)C1CCCC(C)(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830098	0	54	-1.0	-50.33	414.93	2.99	-47.34
COC(=O)[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300024830099	0	48	-1.0	-56.40	410.21	1.71	-54.69
COCC(C)(O)CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830100	0	46	-1.0	-56.81	392.52	-2.37	-59.18
CN(CCNC(=O)C1(O)CCCC(C)(C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830101	0	55	-1.0	-51.06	428.45	0.61	-50.45
CN(CCNC(=O)[C@H]1C[C@]1(C)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830102	0	42	-1.0	-50.44	376.25	1.43	-49.01
CC(CC1=CC=NC=C1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830103	0	47	-1.0	-51.99	404.98	1.66	-50.33
COC1CC(CCC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024830104	0	49	-1.0	-53.53	416.43	0.96	-52.57
CN(CCNC(=O)C1=CN=C2COCCC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830105	0	46	-1.0	-52.50	397.58	-0.28	-52.78
CN(CCNC(=O)[C@@H]1C[C@H]1C(C)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830106	0	42	-1.0	-51.31	376.96	1.45	-49.86
CN(CCNC(=O)C1=NN=C2C=CC=CN21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830107	0	41	-1.0	-55.43	370.79	1.72	-53.71
CN(CCNC(=O)C1=CC(C#N)=CC=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830108	0	39	-1.0	-53.92	366.46	0.12	-53.80
CN(CCNC(=O)C1=C2C(N)=NC=CN2N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830110	0	43	-1.0	-53.34	383.03	-1.59	-54.93
C[C@@H](OCC[NH+](C)C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830111	0	51	0.0	-72.92	424.21	1.60	-71.32
CN(CCNC(=O)C1=CC=C2OC(=O)OC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830112	0	41	-1.0	-56.18	376.34	2.01	-54.17
CN(CCNC(=O)C1CC2(CO1)CCOCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830113	0	51	-1.0	-56.16	417.81	0.19	-55.97
CNC(=O)NC(C)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830114	0	44	-1.0	-54.13	386.32	-3.65	-57.78
CN(CCNC(=O)C12COC(C1)CCO2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830115	0	45	-1.0	-50.42	375.99	-2.01	-52.43
CCN1C=NN=C1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830116	0	41	-1.0	-52.71	366.59	1.43	-51.28
CCC(=CC1=CC=CC=C1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830117	0	49	-1.0	-52.09	413.05	3.82	-48.27
CN(CCNC(=O)C1(C2CCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830118	0	46	-1.0	-52.31	383.16	2.39	-49.92
CN(CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830119	0	43	-1.0	-51.66	366.25	1.66	-50.00
CN(CCNC(=O)C1(F)C(C)(C)C1(C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830120	0	48	-1.0	-49.45	397.95	2.29	-47.16
C[C@H]1C(=O)N(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)[C@H]1C	REAL300024830121	0	48	-1.0	-58.26	414.28	0.19	-58.07
CC(C)[C@@H]1CCC[C@H]1C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830122	0	51	-1.0	-50.79	410.58	2.72	-48.07
COC(=O)C1=CSC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024830123	0	42	-1.0	-57.31	396.68	1.11	-56.20
CC(C)CC1=NC=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024830124	0	49	-1.0	-49.80	423.16	1.48	-48.32
CCOC(=O)C1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024830125	0	46	-1.0	-51.24	407.63	-0.70	-51.94
CN(CCNC(=O)CC1CC2(CCCC2)CO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830126	0	53	-1.0	-55.34	430.36	2.35	-52.99
CN(CCNC(=O)C1CCC2(CCOCC2)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830127	0	51	-1.0	-55.96	421.73	0.60	-55.36
CN(CCNC(=O)C1=NN(CCF)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830128	0	42	-1.0	-54.00	381.87	0.21	-53.79
COC(=O)C1=C(C)C=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024830129	0	45	-1.0	-50.15	407.38	0.86	-49.29
CN(CCNC(=O)C1=CC2=NNC=C2N=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830130	0	41	-1.0	-57.43	368.96	-1.58	-59.01
CN(CCNC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830131	0	47	-1.0	-54.10	412.17	0.63	-53.47
CN(CCNC(=O)C1(NC2=CC=CC=C2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830132	0	48	-1.0	-51.05	413.81	1.84	-49.21
COC1=CC=C(F)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300024830133	0	45	-1.0	-52.34	400.04	-1.36	-53.70
CC(=CC1=CC=CC=N1)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830134	0	45	-1.0	-52.52	391.92	2.51	-50.01
CC(C)C1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CO1	REAL300024830135	0	44	-1.0	-50.53	391.66	-1.86	-52.39
CN(CCNC(=O)C1=CON=C1C1CCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830136	0	46	-1.0	-56.76	402.47	-0.29	-57.05
CN(CCNC(=O)CC1=CSC(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830137	0	39	-1.0	-52.61	380.00	1.67	-50.94
CN(CCNC(=O)C1(C)CC(F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830138	0	42	-1.0	-56.22	361.72	1.02	-55.20
CCC1=CC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024830139	0	43	-1.0	-53.13	378.86	0.54	-52.59
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
CC1=CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(N)=C1Cl	REAL300024830141	0	44	-1.0	-51.86	396.46	0.48	-51.38
CCC1=CC=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024830142	0	44	-1.0	-51.89	388.54	1.16	-50.73
CC(C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(C)C1CCCCC1	REAL300024830143	0	57	-1.0	-50.70	440.34	3.89	-46.81
CC(C)C1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024830144	0	52	-1.0	-50.84	423.03	0.40	-50.44
CN(CCNC(=O)C#CC1CCCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830145	0	42	-1.0	-53.58	377.40	0.09	-53.49
CN(CCNC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830146	0	46	-1.0	-53.99	390.79	2.41	-51.58
C=CCC1(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC=CC1	REAL300024830147	0	47	-1.0	-52.21	398.31	2.66	-49.55
CN(CCNC(=O)C12COC(C1)CCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830148	0	47	-1.0	-51.93	383.72	0.11	-51.82
CC1OCCC1(F)C(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830149	0	43	-1.0	-50.32	368.31	-0.44	-50.76
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CC(CO2)CCC3)C1	REAL300024859935	0	45	-1.0	-47.15	374.33	-0.24	-47.39
COCC1=NOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859936	0	39	-1.0	-51.35	367.08	-4.66	-56.01
O=C(CC1CC(O)C12CCC2)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859937	0	48	-1.0	-52.96	404.86	-0.98	-53.94
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C[C@@H]12	REAL300024859938	0	40	-1.0	-52.20	371.56	-2.80	-55.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC3CCC(=O)N32)C1	REAL300024859939	0	45	-1.0	-61.97	388.11	-0.36	-62.33
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(F)C2=CCCCC2)C1	REAL300024859940	0	44	-1.0	-48.41	380.67	1.93	-46.48
C[NH+](C)C[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024859941	0	50	0.0	-69.43	416.92	1.25	-68.18
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=C(F)C=C1	REAL300024859942	0	43	-1.0	-47.77	384.84	2.20	-45.57
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC3(CC(F)C3)C2)C1	REAL300024859943	0	44	-1.0	-50.25	384.58	1.91	-48.34
CC1=CC2=CC=CN=C2C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859944	0	45	-1.0	-53.44	398.31	2.37	-51.07
CCN1N=CN=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859945	0	39	-1.0	-47.95	355.69	0.28	-47.67
CN1C=NC(CC(O)C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859946	0	44	-1.0	-54.09	396.05	-0.40	-54.49
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCCC2C3(F)F)C1	REAL300024859947	0	41	-1.0	-50.02	368.68	1.37	-48.65
CC(C)C1CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859948	0	46	-1.0	-49.64	390.96	1.84	-47.80
COC1=CSC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1OC	REAL300024859949	0	42	-1.0	-49.96	390.64	-0.12	-50.08
C=CCC(C)(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024859950	0	49	0.0	-68.45	393.43	1.42	-67.03
CC1CCOC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859951	0	44	-1.0	-49.30	372.94	-0.01	-49.31
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=CC3=C2CCCC3)C1	REAL300024859952	0	46	-1.0	-49.85	389.98	1.60	-48.25
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(Cl)CCOC2)C1	REAL300024859953	0	39	-1.0	-47.79	357.16	-0.75	-48.54
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC=C3N=CNC3=C2)C1	REAL300024859954	0	39	-1.0	-52.68	360.67	-1.04	-53.72
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC=C3NC=NC3=C2)C1	REAL300024859954	1	39	-1.0	-56.50	360.66	-1.05	-57.55
C[S+](C)CCC(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859955	0	45	0.0	-79.98	402.88	-0.95	-80.93
CC(C)(C)C(O)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859956	0	49	-1.0	-49.19	406.86	-1.08	-50.27
[N-]=[N+]=N[C@H]1C[C@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859957	0	39	-1.0	-48.72	359.23	-3.39	-52.11
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CSC3=C2SN=N3)C1	REAL300024859958	0	35	-1.0	-50.65	354.74	-1.25	-51.90
[N-]=[N+]=NC1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859959	0	42	-1.0	-51.89	375.40	-2.79	-54.68
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC(CO2)C3)C1	REAL300024859960	0	42	-1.0	-47.93	362.44	-0.84	-48.77
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2C3CCC32)C1	REAL300024859961	0	38	-1.0	-49.77	335.68	0.71	-49.06
CC1(C)CCC(C)(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859962	0	52	-1.0	-49.44	409.96	2.46	-46.98
C=C1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859963	0	38	-1.0	-49.19	342.66	0.46	-48.73
C[C@H]1C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)[C@H]1C	REAL300024859965	0	40	-1.0	-45.63	343.17	0.54	-45.09
C#CCC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCCO1	REAL300024859966	0	43	-1.0	-47.54	381.25	0.24	-47.30
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(C3CCCC3)=NN2)C1	REAL300024859967	0	47	-1.0	-50.14	404.17	0.55	-49.59
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC3(CCC3)OC2)C1	REAL300024859968	0	48	-1.0	-47.48	400.44	0.68	-46.80
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024859969	0	41	-1.0	-46.89	349.83	-2.71	-49.60
C[C@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N(C)C	REAL300024859969	1	41	-1.0	-46.89	349.83	-2.71	-49.60
O=C(C=CC1=CC=CC=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859970	0	41	-1.0	-50.61	372.35	2.18	-48.43
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NOC(C(F)F)=C2)C1	REAL300024859971	0	36	-1.0	-49.30	351.23	-0.66	-49.96
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(O)C2=CNC=N2)C1	REAL300024859972	0	38	-1.0	-55.53	352.84	-2.94	-58.47
O=C(C=CC=C(Cl)Cl)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859973	0	35	-1.0	-50.94	359.15	0.92	-50.02
CCC(C)(C)C(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859974	0	46	-1.0	-49.33	378.68	-0.54	-49.87
O=C(CN1CCN2C=CN=C2C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859975	0	46	-1.0	-60.28	396.42	-0.93	-61.21
CC(=O)N1CC2CC2(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859976	0	45	-1.0	-53.97	394.50	-0.21	-54.18
O=C(CC1CCC2(CCC2)O1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859977	0	48	-1.0	-49.78	406.66	1.63	-48.15
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3CCCCC3=CN2)C1	REAL300024859978	0	45	-1.0	-52.09	385.71	1.18	-50.91
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=NN2C2CC2)C1	REAL300024859979	0	41	-1.0	-50.87	369.75	0.36	-50.51
C#CC1CC2(C1)CC(C(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024859980	0	46	-1.0	-51.39	404.98	2.89	-48.50
O=C(CCC1=CC=C(CO)C=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859981	0	47	-1.0	-52.60	416.64	-0.19	-52.79
CSC1=CN=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024859982	0	39	-1.0	-47.98	373.37	-1.43	-49.41
COC1=CN=NC(OC)=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859983	0	43	-1.0	-51.10	393.06	-4.42	-55.52
CC=CC=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859984	0	38	-1.0	-49.55	351.16	0.73	-48.82
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859985	0	47	0.0	-79.16	383.81	-2.03	-81.19
C[N@H+]1CC(O)CC1(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859985	1	46	-1.0	-49.35	384.14	-4.29	-53.64
CN1CC(O)CC1(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859985	1	46	-1.0	-49.35	384.14	-4.29	-53.64
COCCN1C=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=N1	REAL300024859986	0	44	-1.0	-51.81	398.04	-1.34	-53.15
C[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)[C@@H](O)C(=O)N1C	REAL300024859987	0	45	-1.0	-56.62	393.22	-3.05	-59.67
O=C(C=CSC1=CC=CC=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859988	0	42	-1.0	-48.23	397.90	2.64	-45.59
CN1N=CN=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859989	0	36	-1.0	-48.27	333.89	-0.58	-48.85
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2CC[C@@H](O)C2)C1	REAL300024859990	0	41	-1.0	-51.35	357.09	-2.78	-54.13
CS(=O)C=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859991	0	36	-1.0	-58.19	348.18	-2.96	-61.15
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(O)C2CCCCCCC2)C1	REAL300024859992	0	53	-1.0	-46.48	414.19	0.65	-45.83
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NN3C=CNC(=O)C3=C2)C1	REAL300024859993	0	40	-1.0	-58.70	373.78	-2.44	-61.14
CC1(C)CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(C)(C)O1	REAL300024859994	0	50	-1.0	-52.25	407.53	0.47	-51.78
CN1C(Cl)=CN=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859995	0	37	-1.0	-47.15	355.60	-0.27	-47.42
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2CC=CCC2)C1	REAL300024859996	0	41	-1.0	-46.27	355.93	1.07	-45.20
COCC=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859997	0	38	-1.0	-51.84	349.35	-1.66	-53.50
CC1=CC2=C(C=C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)N2)S1	REAL300024859998	0	41	-1.0	-51.48	383.53	0.80	-50.68
CN1CC[N@H+](C)CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859999	0	51	0.0	-67.90	408.20	-0.51	-68.41
CN1CC[N@@H+](C)CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859999	1	51	0.0	-67.90	408.20	-0.51	-68.41
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@@H+]1CCCC(O)C1	REAL300024860000	0	50	0.0	-73.01	406.96	-1.48	-74.49
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[N@H+]1CCCC(O)C1	REAL300024860000	1	49	-1.0	-48.86	407.19	-3.87	-52.73
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CCCC(O)C1	REAL300024860000	1	49	-1.0	-48.86	407.19	-3.87	-52.73
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC3=NON=C32)C1	REAL300024860001	0	38	-1.0	-61.11	354.07	-0.16	-61.27
O=C(CCOC1COC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860002	0	42	-1.0	-50.68	375.74	-2.70	-53.38
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2C[NH+](C3CCOC3)C2)C1	REAL300024860003	0	47	-1.0	-47.30	400.65	-3.29	-50.59
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CN(C3CCOC3)C2)C1	REAL300024860003	1	47	-1.0	-47.30	400.65	-3.29	-50.59
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C3NC=NC3=C2F)C1	REAL300024860004	0	40	-1.0	-63.73	367.97	0.70	-63.03
O=C(CCCC1=NNN=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860005	0	42	-1.0	-60.65	379.22	-1.60	-62.25
O=C(CCCC1=CNN=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860005	1	42	-1.0	-60.65	379.22	-1.60	-62.25
CC(=C(F)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024860006	0	41	-1.0	-46.18	364.16	1.46	-44.72
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(Cl)=NNC2=O)C1	REAL300024860007	0	36	-1.0	-49.38	352.07	-2.85	-52.23
CS(=O)C1=CC=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860008	0	42	-1.0	-59.60	383.68	0.96	-58.64
O=C(CC1NC(=O)NC1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860009	0	39	-1.0	-54.06	359.71	-5.83	-59.89
CN1N=NN=C1SCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860010	0	42	-1.0	-59.83	397.33	-0.93	-60.76
NC(=O)NC1CCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024860011	0	49	-1.0	-54.50	412.00	-2.78	-57.28
CC1=NC([N+](=O)[O-])=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860012	0	42	-1.0	-66.29	394.44	2.19	-64.10
CC1=C2C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)=CNC2=CC=C1	REAL300024860013	0	44	-1.0	-55.73	383.76	1.56	-54.17
O=C(C[NH+]1CCC(CO)CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860014	0	49	-1.0	-51.62	409.99	-3.66	-55.28
O=C(CN1CCC(CO)CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860014	1	49	-1.0	-51.62	409.99	-3.66	-55.28
CS(=O)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860015	0	38	-1.0	-58.83	356.67	-2.72	-61.55
COC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(F)=N1	REAL300024860016	0	40	-1.0	-55.93	369.48	-2.31	-58.24
CC(=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CN(C)N=C1	REAL300024860017	0	44	-1.0	-51.42	394.56	0.81	-50.61
CN1N=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1F	REAL300024860018	0	37	-1.0	-49.33	349.95	-1.37	-50.70
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(C3=CC=CC=C3)CCC2)C1	REAL300024860019	0	48	-1.0	-50.47	415.91	4.21	-46.26
O=NN1CCCCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860020	0	43	-1.0	-57.56	374.01	-1.32	-58.88
O=C(C=C(Cl)Cl)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860021	0	31	-1.0	-49.23	323.61	-0.37	-49.60
CSC1=CC=NC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024860022	0	39	-1.0	-51.88	373.78	-0.40	-52.28
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
C[N@@H+]1CCCC(O)(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860024	0	50	0.0	-69.71	408.30	-0.26	-69.97
C[N@H+]1CCCC(O)(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860024	1	50	0.0	-69.71	408.30	-0.26	-69.97
COC1=NNC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024860025	0	38	-1.0	-51.42	353.18	-4.74	-56.16
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CCC(C)(C)C1	REAL300024860026	0	50	-1.0	-47.81	404.73	2.86	-44.95
CC(F)(F)C1=CC=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024860027	0	42	-1.0	-48.66	389.21	0.96	-47.70
CC1CN(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860028	0	43	0.0	-75.49	369.27	0.50	-74.99
CC1C[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860028	1	43	0.0	-75.49	369.27	0.50	-74.99
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3C=COC3=CC=C2F)C1	REAL300024860029	0	40	-1.0	-50.62	375.51	1.15	-49.47
COCN1C=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024860030	0	41	-1.0	-50.61	375.78	-2.65	-53.26
CCCN1C=C(Cl)C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024860031	0	43	-1.0	-51.67	401.39	0.81	-50.86
NC(=O)C1CC[NH+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024860032	0	49	-1.0	-56.71	413.76	-4.31	-61.02
NC(=O)C1CCN(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024860032	1	49	-1.0	-56.71	413.76	-4.31	-61.02
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(O)C2CCCC2)C1	REAL300024860033	0	44	-1.0	-49.63	372.73	-0.41	-50.04
CC1(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)COC1	REAL300024860034	0	38	-1.0	-52.37	337.84	-2.23	-54.60
CC1=NC(Cl)=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860035	0	39	-1.0	-51.36	365.96	0.29	-51.07
CC1=C2NC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)=CC2=CC=C1	REAL300024860036	0	44	-1.0	-50.87	392.76	1.58	-49.29
CN1N=C([N+](=O)[O-])C=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860037	0	39	-1.0	-52.40	368.53	0.34	-52.06
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CCCCO2)C1	REAL300024860038	0	39	-1.0	-47.49	346.88	-0.69	-48.18
O=C(CSCC1=NC=CN1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860039	0	41	-1.0	-55.30	386.34	-0.30	-55.60
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CCCS2)C1	REAL300024860040	0	36	-1.0	-48.95	339.51	0.22	-48.73
CC1=NOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860041	0	38	-1.0	-52.60	347.86	-0.75	-53.35
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(=O)NC2CC2)C1	REAL300024860042	0	38	-1.0	-48.97	351.38	-2.86	-51.83
CCN1C=C(Cl)C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024860043	0	40	-1.0	-52.21	379.89	0.06	-52.15
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC=C(Cl)C=N2)C1	REAL300024860044	0	35	-1.0	-50.50	347.48	-1.13	-51.63
CCC1=NOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860045	0	41	-1.0	-58.51	368.45	0.19	-58.32
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C3C=COC3=C2)C1	REAL300024860046	0	40	-1.0	-53.96	365.02	1.25	-52.71
CC1=NOC(COCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024860047	0	42	-1.0	-60.45	388.48	-2.35	-62.80
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCSC2)C1	REAL300024860048	0	38	-1.0	-50.10	345.00	0.23	-49.87
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCO2)C1	REAL300024860049	0	35	-1.0	-53.32	320.98	-1.82	-55.14
CC(=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CC=C1C	REAL300024860050	0	47	-1.0	-48.53	409.71	3.44	-45.09
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(F)C(Cl)=N2)C1	REAL300024860051	0	36	-1.0	-47.43	357.76	-0.24	-47.67
[N-]=[N+]=NCCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860052	0	35	-1.0	-49.60	332.55	-4.70	-54.30
O=C(CN1C=C(CO)N=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860053	0	40	-1.0	-62.43	368.94	-4.90	-67.33
C#CCOCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860054	0	36	-1.0	-56.14	342.77	-0.46	-56.60
O=C(CC1=NN=CO1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860055	0	35	-1.0	-59.73	332.55	-6.15	-65.88
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)SCCO1	REAL300024860056	0	40	-1.0	-48.64	363.37	-0.24	-48.88
CN(CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860057	0	43	0.0	-76.16	366.09	-3.16	-79.32
C[N@H+](CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860057	1	43	0.0	-75.73	365.87	-3.17	-78.90
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860057	1	43	0.0	-75.73	365.87	-3.17	-78.90
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=C(Cl)C=N2)C1	REAL300024860058	0	35	-1.0	-47.94	346.75	-2.25	-50.19
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCCS2)C1	REAL300024860059	0	38	-1.0	-50.15	346.81	0.31	-49.84
CCCC(O)(CCC)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860060	0	52	-1.0	-49.11	423.82	0.91	-48.20
CC(C)(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860061	0	37	-1.0	-48.28	332.94	-3.98	-52.26
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
CC(SC1=CC=CC=C1)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860063	0	44	-1.0	-48.31	404.78	2.76	-45.55
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C(CO)O1	REAL300024860064	0	41	-1.0	-51.97	372.80	-2.74	-54.71
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=NC3=NC=NN32)C1	REAL300024860065	0	38	-1.0	-55.45	352.86	2.21	-53.24
CC(O)(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(F)(F)F	REAL300024860066	0	40	-1.0	-51.43	365.65	-1.72	-53.15
CC1=CSC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024860067	0	39	-1.0	-53.90	369.02	-0.64	-54.54
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(F)(F)C2=CC=CC=C2)C1	REAL300024860068	0	40	-1.0	-48.41	372.09	1.76	-46.65
O=C(CC1=CC=CC=N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860069	0	39	-1.0	-55.07	355.87	0.05	-55.02
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=NC(Cl)=C2)C1	REAL300024860070	0	36	-1.0	-52.75	349.87	-0.35	-53.10
CC(SC(F)(F)F)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860071	0	37	-1.0	-46.82	360.72	0.11	-46.71
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CN=C2F)C1	REAL300024860072	0	36	-1.0	-57.76	337.37	-0.81	-58.57
CC1=CC=C(C(F)(F)C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024860073	0	43	-1.0	-47.76	393.49	2.44	-45.32
CC1=C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N(C)[N-]1	REAL300024860074	0	44	-1.0	-58.84	395.27	-1.54	-60.38
CC1=C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N(C)N1	REAL300024860074	1	44	-1.0	-58.84	395.27	-1.54	-60.38
CC1=CC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860075	0	35	-1.0	-50.25	328.03	0.07	-50.18
CN(C)C(=O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860076	0	37	-1.0	-47.73	335.26	-2.49	-50.22
CSC=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860077	0	35	-1.0	-49.00	338.04	-0.39	-49.39
COC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=C1Cl	REAL300024860078	0	40	-1.0	-49.28	380.80	-0.93	-50.21
C[NH+]1C2CCC1CC(=CC(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024860079	0	51	0.0	-72.86	411.09	2.26	-70.60
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CNC=CC2=O)C1	REAL300024860080	0	37	-1.0	-62.37	340.78	-1.12	-63.49
CC1=NC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CS1	REAL300024860081	0	38	-1.0	-53.23	356.25	-2.17	-55.40
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(F)C=CN=C2F)C1	REAL300024860082	0	36	-1.0	-50.63	349.12	-1.02	-51.65
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=C(Cl)C(F)=C2)C1	REAL300024860083	0	36	-1.0	-50.58	355.57	-0.39	-50.97
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2C[N@@H+]3CCN2CCC3)C1	REAL300024860084	0	49	0.0	-80.89	382.73	-1.51	-82.40
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2C[N@H+]3CCN2CCC3)C1	REAL300024860084	1	49	0.0	-80.89	382.73	-1.51	-82.40
O=C(CC(O)C1=CC=CC(F)=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860085	0	44	-1.0	-51.50	396.99	0.17	-51.33
CC1=CNC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1=O	REAL300024860086	0	40	-1.0	-62.10	361.19	-0.45	-62.55
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(Cl)C=CN=C2F)C1	REAL300024860087	0	36	-1.0	-49.97	358.70	-0.63	-50.60
CCC(C)(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860088	0	40	-1.0	-46.57	349.76	-3.29	-49.86
COC1=CC=NC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860089	0	40	-1.0	-51.40	360.52	-0.35	-51.75
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(O)C2CCOCC2)C1	REAL300024860090	0	45	-1.0	-50.44	381.07	-2.15	-52.59
CC[N@@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860091	0	49	0.0	-67.37	400.32	1.60	-65.77
CC[N@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024860091	1	49	0.0	-67.37	400.32	1.60	-65.77
CCC1=NOC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024860092	0	38	-1.0	-49.56	354.90	-3.02	-52.58
CC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024860093	0	48	0.0	-76.06	395.19	1.40	-74.66
COC1=CC=CC(C=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024860094	0	45	-1.0	-52.82	401.82	1.47	-51.35
CC1=CC=C(C=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024860095	0	41	-1.0	-47.57	384.43	2.06	-45.51
O=C(C=CC1=CC=C(Cl)N=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860096	0	40	-1.0	-52.17	384.09	0.84	-51.33
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2CCC3=CC=CC=C32)C1	REAL300024860097	0	44	-1.0	-47.02	383.76	2.74	-44.28
NC(=O)C1=CC=C(C=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)O1	REAL300024860098	0	42	-1.0	-53.70	394.94	-2.82	-56.52
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC3=C2COC3)C1	REAL300024860099	0	42	-1.0	-52.90	371.36	0.22	-52.68
CC1=CN2CC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CCC2=N1	REAL300024860100	0	47	-1.0	-50.85	404.48	1.63	-49.22
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=C(CC3CC3)C=C2)C1	REAL300024860101	0	47	-1.0	-50.15	412.30	3.98	-46.17
CC1=CC(Cl)=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024860102	0	37	-1.0	-47.55	365.52	1.22	-46.33
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC=C(C(F)F)S2)C1	REAL300024860103	0	36	-1.0	-48.31	361.00	-0.90	-49.21
CC1=NN(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N=N1	REAL300024860104	0	38	-1.0	-59.10	354.73	-2.29	-61.39
COC1=CC=C(Cl)C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024860105	0	40	-1.0	-49.06	379.79	-1.72	-50.78
CC(C)N1C=NC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860106	0	43	-1.0	-50.96	378.77	1.40	-49.56
CC1=CN2C=C(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C=CC2=N1	REAL300024860107	0	43	-1.0	-53.82	386.04	2.15	-51.67
CC1=NN=C2CCC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)N12	REAL300024860108	0	43	-1.0	-62.29	383.30	1.26	-61.03
CC[N@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860109	0	42	0.0	-75.18	355.74	0.07	-75.11
CC[N@@H+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860109	1	41	-1.0	-50.25	353.89	-2.19	-52.44
CCN(C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860109	1	41	-1.0	-50.25	353.89	-2.19	-52.44
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=NNC(=O)N3C=C2)C1	REAL300024860110	0	40	-1.0	-55.67	370.14	-0.72	-56.39
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCCC(F)(F)CC2)C1	REAL300024860111	0	46	-1.0	-53.31	383.39	1.71	-51.60
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CN3C=NN=C23)C1	REAL300024860112	0	39	-1.0	-60.74	358.36	2.50	-58.24
COC1CC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1(C)C	REAL300024860113	0	50	-1.0	-52.94	418.79	0.80	-52.14
CC(C)(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=NNC=N1	REAL300024860114	0	42	-1.0	-63.53	371.22	0.37	-63.16
CC(C)(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=NN=CN1	REAL300024860114	1	42	-1.0	-63.53	371.22	0.37	-63.16
CC1=CC2=C(OCC2)C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024860115	0	45	-1.0	-54.78	394.15	2.40	-52.38
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NNC=C2C2CCC2)C1	REAL300024860116	0	44	-1.0	-50.53	385.15	0.10	-50.43
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC3C2C3(F)F)C1	REAL300024860117	0	41	-1.0	-52.75	361.55	1.18	-51.57
CC1=NN(C2CCC2)C=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860118	0	47	-1.0	-53.54	406.25	1.32	-52.22
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C(F)OC(F)(F)F)C1	REAL300024860119	0	34	-1.0	-52.04	338.36	-1.92	-53.96
C=C1CC2(C1)CC(C(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024860120	0	45	-1.0	-46.62	391.60	2.27	-44.35
O=C(CC1CCN2C=NC=C2C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860121	0	47	-1.0	-57.63	401.03	2.58	-55.05
CC1=NC=C(C=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300024860122	0	43	-1.0	-55.46	390.96	-0.93	-56.39
CN1N=NC=C1C(F)(F)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860123	0	39	-1.0	-52.18	367.01	-1.92	-54.10
COC1=NNC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1Cl	REAL300024860124	0	38	-1.0	-49.38	367.92	-4.31	-53.69
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC3=CC=CC=C3C2)C1	REAL300024860125	0	42	-1.0	-51.24	378.36	2.73	-48.51
COC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1=CC=CN=C1	REAL300024860126	0	43	-1.0	-55.61	389.67	0.01	-55.60
CCC1(C#CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)COC1	REAL300024860127	0	43	-1.0	-49.96	388.56	-0.30	-50.26
COC1=CC=C(C)N=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860128	0	43	-1.0	-52.52	384.13	0.43	-52.09
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C[C@@H]3CCCC[C@H]23)C1	REAL300024860129	0	45	-1.0	-49.22	384.61	2.32	-46.90
CC(C)C1=CNN=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860130	0	43	-1.0	-51.08	379.97	-0.64	-51.72
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2C[C@H]2C2=NN=CN2)C1	REAL300024860131	0	40	-1.0	-55.33	368.41	0.32	-55.01
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)[C@@H]2C[C@H]2C2=NNC=N2)C1	REAL300024860131	1	40	-1.0	-55.33	368.41	0.32	-55.01
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(C3CCC3)ON=C2)C1	REAL300024860132	0	43	-1.0	-47.69	382.55	1.26	-46.43
CC(C)(F)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860133	0	42	-1.0	-49.89	367.92	0.77	-49.12
COC1CC2(C1)CC(C(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024860134	0	48	-1.0	-50.33	411.49	0.70	-49.63
CC1=NC=CC=C1C=CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860135	0	43	-1.0	-52.69	385.06	0.92	-51.77
CC1=CC=C(C=CCC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024860136	0	47	-1.0	-52.45	414.88	3.66	-48.79
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC[N@@H+]2CCCC3)C1	REAL300024860137	0	50	0.0	-69.53	393.48	1.93	-67.60
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC[N@H+]2CCCC3)C1	REAL300024860137	1	50	0.0	-69.53	393.48	1.93	-67.60
O=C(CC1CC(C(F)F)C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860138	0	43	-1.0	-53.04	384.21	1.57	-51.47
CC1=C(C(N)=O)C=CC=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860139	0	44	-1.0	-58.88	382.50	-1.54	-60.42
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3C=CNC3=CN=C2)C1	REAL300024860140	0	40	-1.0	-53.18	361.68	-0.87	-54.05
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NNC3=C2C[C@H]2C[C@@H]32)C1	REAL300024860141	0	42	-1.0	-51.71	374.84	0.07	-51.64
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3C[C@H]4C[C@H]4C3=NN2)C1	REAL300024860141	1	42	-1.0	-51.71	374.84	0.07	-51.64
CC1=CC=CC([C@@H](C)C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024860142	0	46	-1.0	-51.13	399.76	2.89	-48.24
CN1C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC2=C1C=CS2	REAL300024860143	0	41	-1.0	-50.19	379.79	1.61	-48.58
CC1=NN(C(C)C)C(C)=C1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860144	0	49	-1.0	-49.88	427.72	1.19	-48.69
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C3SN=CC3=CC=C2)C1	REAL300024860145	0	39	-1.0	-53.09	367.85	1.08	-52.01
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC[N@@H+]2CC=CC3)C1	REAL300024860146	0	48	0.0	-76.31	384.19	2.41	-73.90
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CCC[N@H+]2CC=CC3)C1	REAL300024860146	1	48	0.0	-76.31	384.19	2.41	-73.90
CC(C)C(C)C(C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860147	0	51	-1.0	-49.11	407.89	2.19	-46.92
CN1N=CC=C1C(O)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860148	0	41	-1.0	-51.53	369.23	-2.85	-54.38
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CNC3=NC=NN3C2=O)C1	REAL300024860149	0	39	-1.0	-57.64	362.58	1.22	-56.42
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(CO1)CCC2	REAL300024999154	0	47	-1.0	-45.18	386.78	-0.73	-45.91
COCC1=NOC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024999155	0	41	-1.0	-49.81	379.54	-5.16	-54.97
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC(O)C12CCC2	REAL300024999156	0	50	-1.0	-47.17	416.67	-1.53	-48.70
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2	REAL300024999157	0	42	-1.0	-48.70	384.07	-3.31	-52.01
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCC(=O)N21	REAL300024999158	0	47	-1.0	-58.17	402.21	-0.78	-58.95
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(F)C1=CCCCC1	REAL300024999159	0	46	-1.0	-46.92	394.97	1.26	-45.66
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300024999160	0	52	0.0	-68.74	429.24	0.78	-67.96
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)C1=CC=C(F)C=C1	REAL300024999161	0	45	-1.0	-48.11	397.30	1.70	-46.41
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2(CC(F)C2)C1	REAL300024999162	0	46	-1.0	-47.37	397.15	1.32	-46.05
CCN1N=CN=C1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999163	0	41	-1.0	-46.45	368.22	-0.30	-46.75
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)CC1=CN(C)C=N1	REAL300024999164	0	46	-1.0	-52.12	407.42	-0.75	-52.87
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCCC1C2(F)F	REAL300024999165	0	43	-1.0	-49.04	379.72	0.82	-48.22
CC(C)C1CC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024999166	0	48	-1.0	-45.86	403.42	1.32	-44.54
C=CCC(C)(C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024999167	0	51	0.0	-62.44	405.92	0.84	-61.60
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1OCCC1C	REAL300024999168	0	46	-1.0	-48.81	385.40	-0.53	-49.34
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=CC2=C1CCCC2	REAL300024999169	0	48	-1.0	-47.15	402.46	1.10	-46.05
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(Cl)CCOC1	REAL300024999170	0	41	-1.0	-47.69	369.64	-1.26	-48.95
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC=C2N=CNC2=C1	REAL300024999171	0	41	-1.0	-51.07	373.20	-1.64	-52.71
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC=C2NC=NC2=C1	REAL300024999171	1	41	-1.0	-53.40	373.19	-1.64	-55.04
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)CC[S+](C)C	REAL300024999172	0	47	0.0	-68.60	415.38	-1.53	-70.13
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC(O)C(C)(C)C	REAL300024999173	0	51	-1.0	-46.16	419.39	-1.69	-47.85
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H](N=[N+]=[N-])C1	REAL300024999174	0	41	-1.0	-46.61	371.29	-4.04	-50.65
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CSC2=C1SN=N2	REAL300024999175	0	37	-1.0	-51.29	367.20	-1.74	-53.03
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC(N=[N+]=[N-])C1	REAL300024999176	0	44	-1.0	-46.81	387.73	-3.39	-50.20
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC(CO1)C2	REAL300024999177	0	44	-1.0	-45.43	374.93	-1.35	-46.78
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C2CCC21	REAL300024999178	0	40	-1.0	-46.09	348.16	0.19	-45.90
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)CCC(C)(C)CC1	REAL300024999179	0	54	-1.0	-45.32	422.46	1.93	-43.39
C=C1CCC1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999180	0	40	-1.0	-45.88	355.19	-0.14	-46.02
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1[C@H](C)[C@@H]1C	REAL300024999182	0	42	-1.0	-45.99	363.33	0.08	-45.91
C#CCC1(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CCCO1	REAL300024999183	0	45	-1.0	-45.71	393.72	-0.25	-45.96
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C2CCCC2)=NN1	REAL300024999184	0	49	-1.0	-47.42	416.69	-0.05	-47.47
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2(CCC2)OC1	REAL300024999185	0	50	-1.0	-46.25	412.91	0.17	-46.08
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)[NH+](C)C	REAL300024999186	0	43	-1.0	-46.32	362.29	-3.23	-49.55
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)N(C)C	REAL300024999186	1	43	-1.0	-46.32	362.29	-3.23	-49.55
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC1=CC=CC=C1	REAL300024999187	0	43	-1.0	-47.30	384.87	1.58	-45.72
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C[C@H](CNC(=O)C12CC(CO1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005241	0	47	-1.0	-45.32	386.65	-0.75	-46.07
C[C@H](CNC(=O)C1CC(=O)CC12CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005242	0	48	-1.0	-51.04	405.25	0.81	-50.23
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C[C@H](CNC(=O)CC1CC(O)C12CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005244	0	50	-1.0	-48.30	417.38	-1.59	-49.89
C[C@H](CNC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005245	0	42	-1.0	-47.58	384.06	-3.32	-50.90
C[C@H](CNC(=O)C1CCC2CCC(=O)N21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005246	0	47	-1.0	-56.32	402.21	-0.75	-57.07
C[C@H](CNC(=O)C(F)C1=CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005247	0	46	-1.0	-46.95	394.97	1.26	-45.69
C[C@H](CNC(=O)C1(N2C=CC=C2)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005248	0	50	-1.0	-46.23	414.48	2.59	-43.64
C[C@H](CNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005249	0	52	0.0	-69.08	427.73	1.03	-68.05
C[C@H](CNC(=O)[C@@H](C)C1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005250	0	45	-1.0	-47.27	397.28	1.67	-45.60
C[C@H](CNC(=O)C1CC2(CC(F)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005251	0	46	-1.0	-46.89	397.13	1.31	-45.58
CCN1N=CN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005252	0	41	-1.0	-47.29	368.22	-0.33	-47.62
CC1=CC(N)=C(C)N=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005253	0	46	-1.0	-48.01	396.61	-2.06	-50.07
C[C@H](CNC(=O)C(O)CC1=CN(C)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005254	0	46	-1.0	-52.41	408.53	-0.99	-53.40
C[C@H](CNC(=O)C12CCCC1C2(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005255	0	43	-1.0	-47.46	379.60	0.78	-46.68
CCOC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025005256	0	49	-1.0	-44.69	405.06	0.06	-44.63
C[C@H](CNC(=O)C1CCOC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005257	0	49	-1.0	-46.59	401.95	-0.63	-47.22
C[C@H](CNC(=O)C(F)(F)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005258	0	39	-1.0	-45.02	355.81	-0.25	-45.27
CC(=O)OC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025005259	0	42	-1.0	-50.50	381.84	-0.45	-50.95
CCOC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=C(C)O1	REAL300025005260	0	45	-1.0	-49.46	405.29	-2.50	-51.96
CCCCC[C@H](O)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005261	0	51	-1.0	-48.25	431.61	-0.42	-48.67
C[C@H](CNC(=O)C1=CN=C2CCCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005262	0	48	-1.0	-47.85	408.32	1.06	-46.79
CC(=O)OC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300025005263	0	41	-1.0	-49.23	384.64	0.21	-49.02
C[C@H](CNC(=O)COCCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005264	0	40	-1.0	-51.79	360.90	-4.72	-56.51
CC(=O)C1=CN(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300025005265	0	43	-1.0	-55.30	395.88	-2.43	-57.73
C[C@H](CNC(=O)C1=NOC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005266	0	43	-1.0	-47.60	380.71	-1.69	-49.29
C[C@H](CNC(=O)C1=NC=C(F)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005267	0	37	-1.0	-47.82	349.59	-2.07	-49.89
C[C@H](CNC(=O)C(C)(C)CF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005268	0	41	-1.0	-44.99	358.38	-0.61	-45.60
CC(C)[C@@H](O)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005269	0	45	-1.0	-48.23	383.79	-2.25	-50.48
C[C@H](CNC(=O)C1=CN=C2SC=CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005270	0	41	-1.0	-49.45	382.28	-0.15	-49.60
C[C@H](CNC(=O)C1=C([N+](=O)[O-])C=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005271	0	38	-1.0	-50.84	355.92	-1.50	-52.34
C[C@H](CNC(=O)C1=NNC=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005271	1	38	-1.0	-53.97	356.95	-1.55	-55.52
C[C@H](CNC(=O)C1=CC=C(F)C(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005272	0	40	-1.0	-48.20	367.56	-2.40	-50.60
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)C1CC(=O)N(C2CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005273	0	47	-1.0	-52.69	404.04	-0.40	-53.09
C=CCNC1=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300025005274	0	44	-1.0	-46.13	409.54	-1.19	-47.32
C[C@H](CNC(=O)C(C)(C)CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005275	0	42	-1.0	-46.11	362.73	-3.90	-50.01
C[C@H](CNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005276	0	41	0.0	-63.83	377.61	-1.02	-64.85
C[C@H](CNC(=O)CC1=CC=C2OCOC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005277	0	45	-1.0	-51.21	401.03	-0.27	-51.48
C[C@H](CNC(=O)CN1CSCC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005278	0	41	-1.0	-52.17	379.24	-1.56	-53.73
C[C@H](CNC(=O)C1=CC=CC(CO)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005279	0	43	-1.0	-49.01	383.15	-2.30	-51.31
C=CCC(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005280	0	42	-1.0	-45.42	365.90	-0.06	-45.48
CC1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300025005281	0	44	-1.0	-45.78	379.17	-0.64	-46.42
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=C2NCCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005283	0	48	-1.0	-47.75	408.16	0.37	-47.38
CSCC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025005284	0	43	-1.0	-47.30	401.20	0.44	-46.86
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
CC1=CC=CC(N)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005286	0	44	-1.0	-46.99	386.94	-1.33	-48.32
C[C@H](CNC(=O)C(F)(F)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005287	0	35	-1.0	-44.64	344.44	-1.33	-45.97
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
CCSC1=CC=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005288	0	46	-1.0	-47.72	407.52	2.23	-45.49
COC1=CC=C(O)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005289	0	44	-1.0	-49.04	388.63	-1.78	-50.82
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1C	REAL300025005290	0	46	-1.0	-48.05	396.19	0.17	-47.88
CC(NC(=O)C1=CC=CO1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005291	0	46	-1.0	-50.71	413.09	-2.28	-52.99
C[C@H](CNC(=O)C(CO)NC(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005292	0	42	-1.0	-51.38	377.01	-9.48	-60.86
C[C@H](CNC(=O)C1=CC=C(O)C=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005293	0	41	-1.0	-49.46	370.14	-3.91	-53.37
C[C@H](CNC(=O)CSC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005294	0	43	-1.0	-48.25	393.48	1.52	-46.73
C[C@H](CNC(=O)C1CC1(Cl)Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005295	0	36	-1.0	-46.13	358.47	-0.12	-46.25
C[C@H](CNC(=O)CSC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005296	0	45	-1.0	-47.20	394.34	0.51	-46.69
C[C@H](CNC(=O)C1=CC=C(Cl)C=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005297	0	40	-1.0	-47.19	375.89	-0.56	-47.75
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)C1CCC(C)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005298	0	43	-1.0	-47.14	380.03	0.43	-46.71
C[C@H](CNC(=O)CSC1=CC=CC=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005299	0	44	-1.0	-50.11	403.70	-1.30	-51.41
C[C@H](CNC(=O)CC1=CC=CC=C1CC#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005300	0	46	-1.0	-50.37	411.50	1.93	-48.44
C[C@H](CNC(=O)C(C)(O)C1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005301	0	46	-1.0	-46.82	404.30	-1.34	-48.16
C[C@H](CNC(=O)C1(O)CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005302	0	41	-1.0	-47.17	365.65	-3.31	-50.48
CC(=O)C1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300025005303	0	44	-1.0	-52.68	396.08	0.86	-51.82
C[C@H](CNC(=O)C[C@H](O)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005304	0	46	-1.0	-48.82	403.06	-0.38	-49.20
C[C@H](CNC(=O)C1(C)COC(=O)OC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005305	0	43	-1.0	-53.62	377.71	-0.60	-54.22
CSC1=CC=CC=C1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005306	0	46	-1.0	-48.54	412.43	1.97	-46.57
COC1=CC=C(F)C(N)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005307	0	45	-1.0	-48.08	402.06	-2.44	-50.52
C[C@H](CNC(=O)C(O)C1=CC=CC(N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005308	0	45	-1.0	-47.10	398.15	-3.02	-50.12
C[C@H](CNC(=O)C=CC1=CC=C(O)C(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005309	0	45	-1.0	-50.51	406.60	-3.32	-53.83
CC1=CC(C)=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(N)=C1	REAL300025005310	0	47	-1.0	-47.02	408.32	-0.67	-47.69
CNC(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005311	0	48	-1.0	-55.20	411.43	-2.41	-57.61
C[C@H](CNC(=O)C1=CC(O)=CC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005312	0	40	-1.0	-53.39	365.83	-5.44	-58.83
C[C@H](CNC(=O)C1=CC2=NSN=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005313	0	40	-1.0	-49.16	374.43	-1.28	-50.44
C[C@H](CNC(=O)CC(O)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005314	0	46	-1.0	-48.85	403.05	-0.38	-49.23
C[C@H](CNC(=O)CN1C=NC(C#N)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005315	0	39	-1.0	-57.64	371.24	-0.65	-58.29
C[C@H](CNC(=O)C1CCC(=O)C(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005316	0	47	-1.0	-49.41	398.44	0.41	-49.00
C[C@H](CNC(=O)C1(O)CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005317	0	49	-1.0	-45.87	393.69	-1.60	-47.47
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=CC(O)=CC([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005318	1	42	-1.0	-49.84	389.54	-1.81	-51.65
C[C@H](CNC(=O)C1=CC=NC(Cl)=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005319	0	40	-1.0	-46.73	370.59	-2.69	-49.42
COC(=O)C1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025005320	0	42	-1.0	-47.32	391.52	-0.78	-48.10
CNC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005321	0	48	-1.0	-55.45	411.36	-2.41	-57.86
CC1=NC(N)=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025005322	0	46	-1.0	-57.06	406.72	-3.38	-60.44
C[C@H](CNC(=O)C(CC#N)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005323	0	46	-1.0	-50.97	406.88	2.23	-48.74
C[C@H](CNC(=O)C1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005324	0	45	-1.0	-45.17	374.02	0.55	-44.62
C[C@H](CNC(=O)C1(O)CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005325	0	49	-1.0	-46.05	404.06	-1.69	-47.74
C[C@H](CNC(=O)C1(C)CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005326	0	48	-1.0	-45.10	396.28	1.14	-43.96
CC1=CC(O)=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005327	0	43	-1.0	-47.04	377.38	-1.77	-48.81
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)SC2=CN=CN21	REAL300025005328	0	42	-1.0	-48.11	387.37	1.37	-46.74
C[C@H](CNC(=O)C1(O)CCC(C)(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005329	0	52	-1.0	-45.93	417.20	-1.38	-47.31
C[C@H](CNC(=O)CC1=CC=C(O)C(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005330	0	44	-1.0	-52.23	396.74	-3.86	-56.09
C[C@H](CNC(=O)C1=CC(O)=CC(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005331	0	41	-1.0	-48.79	372.38	-5.33	-54.12
C[C@H](CNC(=O)C1=CC(O)=C(F)C=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005332	0	42	-1.0	-47.11	377.35	-4.20	-51.31
C[C@H](CNC(=O)CCC(=O)C1=CC=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005333	0	45	-1.0	-49.55	402.82	-0.52	-50.07
CCOC(=O)C(CC)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005334	0	47	-1.0	-48.72	411.21	0.24	-48.48
C[C@H](CNC(=O)C(=O)C1=CN=CN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005335	0	41	-1.0	-49.37	370.41	-0.66	-50.03
CC1=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300025005336	0	42	-1.0	-47.49	384.35	0.76	-46.73
C[C@H](CNC(=O)C(F)(F)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005337	0	45	-1.0	-46.13	406.60	1.98	-44.15
CNC1=NC(C)=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025005338	0	45	-1.0	-46.85	401.39	-0.44	-47.29
CC1=CC(Cl)=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005339	0	41	-1.0	-47.48	385.92	-0.23	-47.71
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C(C#N)O1	REAL300025005340	0	40	-1.0	-48.01	372.52	-0.31	-48.32
CCC(C)CCC(O)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005341	0	54	-1.0	-48.24	445.91	-0.04	-48.28
C[C@H](CNC(=O)C1=CN2N=CN=C2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005342	0	40	-1.0	-53.18	367.23	1.39	-51.79
C[C@H](CNC(=O)C1CC2=CSC=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005343	0	43	-1.0	-46.39	387.43	1.07	-45.32
CCNC1=CN=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005344	0	46	-1.0	-47.79	401.91	-1.80	-49.59
CCOC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=CS1	REAL300025005345	0	43	-1.0	-49.28	393.36	0.70	-48.58
C[C@H](CNC(=O)C1C2C3CC1CC32)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005346	0	44	-1.0	-45.74	372.51	1.00	-44.74
C[C@H](CNC(=O)C1=NC=CC=C1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005347	0	50	-1.0	-46.21	407.96	0.81	-45.40
CC1=C(C2CC2)ON=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005348	0	45	-1.0	-47.71	400.23	0.67	-47.04
C[C@H](CNC(=O)C1=NC=C([N+](=O)[O-])N1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005349	0	41	-1.0	-46.48	377.80	0.31	-46.17
C[C@H](CNC(=O)[C@@H](O)C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005350	0	46	-1.0	-45.78	386.24	-1.14	-46.92
C[C@H](CNC(=O)C1CCCC(C)(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005351	0	54	-1.0	-44.71	416.64	1.91	-42.80
COC(=O)[C@@H]1[C@H](C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025005352	0	48	-1.0	-49.64	411.93	0.63	-49.01
COCC(C)(O)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005353	0	46	-1.0	-50.11	394.23	-3.44	-53.55
C[C@H](CNC(=O)C1(O)CCCC(C)(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005354	0	55	-1.0	-45.88	430.83	-0.43	-46.31
C[C@H](CNC(=O)[C@H]1C[C@]1(C)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005355	0	42	-1.0	-45.36	378.24	0.38	-44.98
CC(CC1=CC=NC=C1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005356	0	47	-1.0	-47.51	406.72	0.58	-46.93
COC1CC(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005357	0	49	-1.0	-47.52	418.14	-0.11	-47.63
C[C@H](CNC(=O)C1=CN=C2COCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005358	0	46	-1.0	-48.51	399.29	-1.36	-49.87
C[C@H](CNC(=O)[C@@H]1C[C@H]1C(C)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005359	0	42	-1.0	-46.77	378.94	0.39	-46.38
C[C@H](CNC(=O)C1=NN=C2C=CC=CN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005360	0	41	-1.0	-54.77	372.78	0.65	-54.12
C[C@H](CNC(=O)C1=CC(C#N)=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005361	0	39	-1.0	-48.35	368.45	-0.94	-49.29
C[C@H](CNC(=O)C1=C2C(N)=NC=CN2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005363	0	43	-1.0	-49.57	382.25	-2.47	-52.04
C[C@H](CNC(=O)[C@@H](C)OCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005364	0	51	0.0	-66.86	426.18	0.55	-66.31
C[C@H](CNC(=O)C1=CC=C2OC(=O)OC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005365	0	41	-1.0	-49.74	378.06	0.94	-48.80
C[C@H](CNC(=O)C1CC2(CO1)CCOCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005366	0	51	-1.0	-48.99	419.26	-0.90	-49.89
CNC(=O)NC(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005367	0	44	-1.0	-50.72	388.03	-4.73	-55.45
C[C@H](CNC(=O)C12COC(C1)CCO2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005368	0	45	-1.0	-47.66	376.03	-2.31	-49.97
CCN1C=NN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005369	0	41	-1.0	-51.79	368.57	0.37	-51.42
CCC(=CC1=CC=CC=C1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005370	0	49	-1.0	-46.10	415.04	2.77	-43.33
C[C@H](CNC(=O)C1(C2CCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005371	0	46	-1.0	-45.67	385.15	1.33	-44.34
C[C@H](CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005372	0	43	-1.0	-45.10	363.92	0.52	-44.58
C[C@H](CNC(=O)C1(F)C(C)(C)C1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005373	0	48	-1.0	-45.69	401.25	1.32	-44.37
C[C@H](CNC(=O)CN1C(=O)[C@H](C)[C@H](C)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005374	0	48	-1.0	-53.05	416.26	-0.85	-53.90
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C[C@H](CNC(=O)CC1CC2(CCCC2)CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005379	0	53	-1.0	-48.06	432.34	1.30	-46.76
C[C@H](CNC(=O)C1CCC2(CCOCC2)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005380	0	51	-1.0	-49.14	423.45	-0.46	-49.60
C[C@H](CNC(=O)C1=NN(CCF)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005381	0	42	-1.0	-49.64	383.86	-0.85	-50.49
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C[C@H](CNC(=O)C1=CC2=NNC=C2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005383	0	41	-1.0	-52.38	370.68	-2.66	-55.04
C[C@H](CNC(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005384	0	47	-1.0	-48.89	413.89	-0.43	-49.32
C[C@H](CNC(=O)C1(NC2=CC=CC=C2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005385	0	48	-1.0	-44.44	415.85	0.75	-43.69
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CC(=CC1=CC=CC=N1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005387	0	45	-1.0	-47.78	393.90	1.45	-46.33
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C[C@H](CNC(=O)C1=CON=C1C1CCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005389	0	46	-1.0	-50.69	404.20	-1.33	-52.02
C[C@H](CNC(=O)CC1=CSC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005390	0	39	-1.0	-47.23	381.98	0.62	-46.61
C[C@H](CNC(=O)C1(C)CC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005391	0	42	-1.0	-47.02	365.51	-0.03	-47.05
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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
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CCC1=CC=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005395	0	44	-1.0	-47.11	390.53	0.10	-47.01
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C1CCCCC1	REAL300025005396	0	57	-1.0	-44.68	442.17	2.79	-41.89
CC(C)C1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025005397	0	52	-1.0	-48.00	423.52	-0.99	-48.99
C[C@H](CNC(=O)C#CC1CCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005398	0	42	-1.0	-48.08	379.11	-0.99	-49.07
C[C@H](CNC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005399	0	46	-1.0	-47.74	392.72	1.35	-46.39
C=CCC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC=CC1	REAL300025005400	0	47	-1.0	-50.97	397.43	1.92	-49.05
C[C@H](CNC(=O)C12COC(C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005401	0	47	-1.0	-45.99	386.02	-0.96	-46.95
C[C@H](CNC(=O)C1(F)CCOC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005402	0	43	-1.0	-46.12	375.84	-1.84	-47.96
C[C@H](CNC(=O)C(=O)C=CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005403	0	45	-1.0	-47.26	406.88	1.50	-45.76
C[C@H](CNC(=O)C(C)(C)NC1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005404	0	49	-1.0	-47.04	413.42	-0.54	-47.58
C[C@H](CNC(=O)C1=C2COC(C)(C)C2=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005405	0	47	-1.0	-48.11	409.60	-2.53	-50.64
CC1=NC=C(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025005406	0	44	-1.0	-48.05	403.06	-0.18	-48.23
CCC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=CS1	REAL300025005407	0	41	-1.0	-46.98	376.11	-1.05	-48.03
C[C@H](CNC(=O)C1=CC2=C(S1)N(C)N=C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005408	0	42	-1.0	-48.09	392.03	-0.52	-48.61
CC1=CC=CC(SCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005409	0	46	-1.0	-48.25	414.89	2.20	-46.05
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C[C@H](CNC(=O)CN1C=C2N=CC=CC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005411	0	44	-1.0	-57.58	396.77	-1.13	-58.71
C[C@H](CNC(=O)COCCC1=CC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005412	0	46	-1.0	-48.79	421.16	1.33	-47.46
C[C@H](CNC(=O)C1CCC2CC(=O)NC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005413	0	50	-1.0	-50.88	416.78	-2.08	-52.96
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C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005415	0	39	-1.0	-45.75	346.84	-0.48	-46.23
C[C@H](CNC(=O)C(F)(F)C1=CN=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005416	0	38	-1.0	-47.38	371.00	-1.55	-48.93
C[C@H](CNC(=O)CC12CCC(CC1)C2(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005417	0	55	-1.0	-44.92	429.50	2.40	-42.52
C[C@H](CNC(=O)C1=CC=CC(C(C)(F)F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005418	0	45	-1.0	-47.88	403.53	1.90	-45.98
CC1=CC=C([N+](=O)[O-])C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005419	0	44	-1.0	-52.48	396.06	2.73	-49.75
CC(=O)NC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025005420	0	48	-1.0	-48.86	409.64	-1.72	-50.58
C[C@H](CNC(=O)C1=CC(F)=CC=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005421	0	41	-1.0	-46.66	367.11	-1.34	-48.00
C[C@H](CNC(=O)CCC1=CC=CC=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005422	0	46	-1.0	-47.83	406.20	-0.92	-48.75
C[C@H](CNC(=O)C(C)(C)O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005423	0	39	-1.0	-45.79	345.43	-4.49	-50.28
CC1=CC=CC=C1NCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005424	0	50	-1.0	-47.80	427.79	0.79	-47.01
CC1=CC=C(O)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005425	0	43	-1.0	-47.75	380.57	-0.40	-48.15
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
CSC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300025005427	0	42	-1.0	-47.71	389.01	-0.22	-47.93
C[C@H](CNC(=O)CC[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005428	0	54	0.0	-69.11	424.55	1.43	-67.68
CC1=NN(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300025005429	0	47	-1.0	-51.19	414.83	0.18	-51.01
C[C@H](CNC(=O)C1=CC2=CC(N)=CC=C2O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005430	0	44	-1.0	-48.24	396.76	-1.36	-49.60
C[C@H](CNC(=O)C1=CC=CC(CC#N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005431	0	43	-1.0	-52.01	392.59	1.54	-50.47
C[C@H](CNC(=O)C[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005432	0	47	-1.0	-46.14	390.36	-1.49	-47.63
C[C@H](CNC(=O)CN1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005432	1	47	-1.0	-46.14	390.36	-1.49	-47.63
C[C@H](CNC(=O)CN1C=CC([N+](=O)[O-])=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005433	0	41	-1.0	-59.95	385.62	0.18	-59.77
C[C@H](CNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005434	0	48	0.0	-67.64	395.13	0.42	-67.22
C[C@H](CNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005434	1	48	0.0	-67.64	395.13	0.42	-67.22
C[C@H](CNC(=O)CN1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005435	0	52	0.0	-69.62	424.32	-2.01	-71.63
C[C@H](CNC(=O)C[NH+]1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005435	1	52	0.0	-69.62	424.32	-2.01	-71.63
C[C@H](CNC(=O)CCN1C=C([N+](=O)[O-])C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005436	0	44	-1.0	-50.93	407.53	-0.23	-51.16
CSC1=CC(F)=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005437	0	43	-1.0	-46.81	392.43	1.45	-45.36
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=NN1CCC#N	REAL300025005438	0	46	-1.0	-52.14	413.58	-0.03	-52.17
CC(C)=C(Br)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005439	0	39	-1.0	-46.21	365.69	-0.26	-46.47
COC(=O)C1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025005440	0	44	-1.0	-49.03	403.30	-0.72	-49.75
C[C@H](CNC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005441	0	51	0.0	-66.25	401.86	0.84	-65.41
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1CCOCC1	REAL300025005442	0	48	-1.0	-46.64	393.36	-3.64	-50.28
COC(=O)C1CCCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005443	0	51	-1.0	-50.64	430.77	1.26	-49.38
C[C@H](CNC(=O)CCNC1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005444	0	46	-1.0	-49.09	404.77	-0.90	-49.99
CC1=CN=C(F)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005445	0	41	-1.0	-49.97	371.34	-0.79	-50.76
CCCC1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025005446	0	44	-1.0	-47.69	401.67	-0.21	-47.90
CCC1=NNC(CC)=C1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005447	0	51	-1.0	-49.80	435.59	0.00	-49.80
C[C@H](CNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005448	0	43	0.0	-65.54	381.77	2.32	-63.22
COC(=O)[C@H]1C[C@@H](C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005449	0	45	-1.0	-51.45	396.49	0.01	-51.44
C[C@H](CNC(=O)C=CSCC1=CC=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005450	0	44	-1.0	-48.42	412.69	1.01	-47.41
CNC1=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300025005451	0	40	-1.0	-46.80	375.25	-2.56	-49.36
C[C@H](CNC(=O)C1=CC=CC(N)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005452	0	41	-1.0	-49.59	369.02	-1.64	-51.23
CC1=NC=CN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005453	0	40	-1.0	-47.07	358.62	-2.55	-49.62
C[C@H](CNC(=O)CCCC1=CC=C(O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005454	0	49	-1.0	-49.56	428.88	-0.19	-49.75
CSC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025005455	0	40	-1.0	-45.37	366.69	-0.04	-45.41
CC1=CC(Cl)=CC(C)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005456	0	45	-1.0	-46.10	409.78	1.81	-44.29
C[C@H](CNC(=O)C(C#N)=CC1=CN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005457	0	44	-1.0	-50.47	401.48	-0.47	-50.94
C[C@H](CNC(=O)C1=CC(C(F)F)=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005458	0	38	-1.0	-46.66	364.15	-1.36	-48.02
CC(=O)C1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CO1	REAL300025005459	0	41	-1.0	-51.40	377.49	-1.03	-52.43
COC(=O)C1=CN=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005460	0	44	-1.0	-51.85	396.59	0.18	-51.67
C[C@H](CNC(=O)C1=NOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005461	0	37	-1.0	-47.66	338.99	-3.06	-50.72
COC1=CC=CC(C)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005462	0	46	-1.0	-48.59	402.78	0.13	-48.46
C[C@H](CNC(=O)C1=CN(C2CC2)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005463	0	42	-1.0	-50.75	381.22	-1.77	-52.52
C[C@H](CNC(=O)COC1=NOC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005464	0	39	-1.0	-51.80	361.77	-2.92	-54.72
C[C@H](CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005465	0	57	0.0	-68.89	440.52	1.91	-66.98
C[C@H](CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005465	1	57	0.0	-68.89	440.52	1.91	-66.98
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
CCC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCC(O)CC1	REAL300025005467	0	52	-1.0	-45.58	414.19	-1.74	-47.32
CC1=COC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1C	REAL300025005468	0	42	-1.0	-46.77	373.80	-0.25	-47.02
CC1=CSC(C(C)C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025005469	0	44	-1.0	-48.57	398.99	-0.64	-49.21
C[C@H](CNC(=O)C1=CC=C(CN(C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005470	0	48	0.0	-69.80	415.11	0.61	-69.19
C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005470	1	48	0.0	-69.80	415.11	0.61	-69.19
COC1=CC(C)=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300025005471	0	48	-1.0	-46.49	410.68	-1.36	-47.85
C[C@H](CNC(=O)CC1=C(F)C=CC=C1C#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005472	0	43	-1.0	-50.57	398.86	1.32	-49.25
C[C@H](CNC(=O)C1=C(C2CC2)C=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005473	0	43	-1.0	-47.36	382.25	0.54	-46.82
C[C@H](CNC(=O)C1=C2N=CN(C)C2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005474	0	45	-1.0	-55.88	398.22	1.87	-54.01
C[C@H](CNC(=O)CC1CC1(Cl)Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005475	0	39	-1.0	-47.27	377.32	0.64	-46.63
C[C@H](CNC(=O)CC1=CN=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005476	0	40	-1.0	-51.33	363.16	-2.42	-53.75
C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005477	0	49	-1.0	-48.39	422.06	-2.04	-50.43
C[C@H](CNC(=O)C1=CC=C(CN(C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005477	1	49	-1.0	-48.39	422.06	-2.04	-50.43
CC(C#N)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005478	0	39	-1.0	-48.18	352.49	-0.88	-49.06
CC(C)C1=NN=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025005479	0	43	-1.0	-48.57	397.78	-1.51	-50.08
COC(=O)C1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)OC=C1	REAL300025005480	0	42	-1.0	-52.01	384.78	0.00	-52.01
COC(=O)CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=CO1	REAL300025005481	0	45	-1.0	-50.89	407.55	-0.03	-50.92
CSC1=CC=CC(F)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005482	0	43	-1.0	-50.18	399.48	1.20	-48.98
C[C@H](CNC(=O)C1=CC(N)=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005483	0	40	-1.0	-48.07	362.66	-3.44	-51.51
C[C@H](CNC(=O)C(O)C1=CN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005484	0	43	-1.0	-49.96	387.50	-3.20	-53.16
CCC1OCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005485	0	46	-1.0	-46.99	386.49	-1.04	-48.03
COC1=CC(C)=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025005486	0	45	-1.0	-46.92	393.74	-2.19	-49.11
C[C@H](CNC(=O)C12CCC(CO)(CC1)CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005487	0	53	-1.0	-46.96	425.08	-1.25	-48.21
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
C[C@H](CNC(=O)C(C)(C)C1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005489	0	47	-1.0	-49.93	401.46	0.95	-48.98
C[C@H](CNC(=O)C1=CC=CC2=C1OCO2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005490	0	42	-1.0	-50.98	375.69	-0.33	-51.31
C[C@H](CNC(=O)C(C)(C)OC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005491	0	49	-1.0	-48.46	410.43	1.83	-46.63
CCCC1=CC=C(N)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005492	0	50	-1.0	-45.31	425.07	0.81	-44.50
C[C@H](CNC(=O)C1=CC=C(Cl)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005493	0	37	-1.0	-48.66	359.50	-2.07	-50.73
C[C@H](CNC(=O)CN1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005494	0	49	0.0	-70.85	403.73	-2.66	-73.51
C[C@H](CNC(=O)C[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005494	1	49	0.0	-70.85	403.73	-2.66	-73.51
C[C@H](CNC(=O)C1=CC2=C(C=C1O)OCO2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005495	0	43	-1.0	-49.22	385.19	-2.40	-51.62
CCC1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300025005496	0	46	-1.0	-47.69	400.87	0.38	-47.31
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1O	REAL300025005497	0	44	-1.0	-50.04	389.93	-2.67	-52.71
COC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(N)=C1	REAL300025005498	0	45	-1.0	-46.23	390.08	-2.09	-48.32
C[C@H](CNC(=O)CNC1=CC=C(C#N)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005499	0	44	-1.0	-51.16	403.34	-1.15	-52.31
C[C@H](CNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005500	0	45	0.0	-65.04	379.94	0.21	-64.83
C[C@H](CNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005500	1	44	-1.0	-46.26	373.82	-2.18	-48.44
C[C@H](CNC(=O)CN(C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005500	1	44	-1.0	-46.26	373.82	-2.18	-48.44
C[C@H](CNC(=O)CC1=CC=CN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005501	0	43	-1.0	-49.76	379.68	0.43	-49.33
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1CCN(C)CC1	REAL300025005502	0	53	0.0	-68.30	423.79	-1.36	-69.66
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300025005502	1	53	0.0	-68.30	423.79	-1.36	-69.66
CC(=CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300025005503	0	46	-1.0	-45.94	411.27	2.45	-43.49
C[C@H](CNC(=O)COC1=NSC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005504	0	39	-1.0	-49.86	371.15	-2.57	-52.43
C[C@H](CNC(=O)[C@]12CC[C@H](CC1=O)C2(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005505	0	51	-1.0	-49.02	413.41	0.73	-48.29
C[C@H](CNC(=O)CC[N@@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005506	0	48	0.0	-70.63	405.13	0.61	-70.02
C[C@H](CNC(=O)CC[N@H+]1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005506	1	47	-1.0	-47.55	402.02	-1.81	-49.36
C[C@H](CNC(=O)CCN1CCC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005506	1	47	-1.0	-47.55	402.02	-1.81	-49.36
CC1=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300025005507	0	41	-1.0	-50.93	374.17	-2.89	-53.82
CCOC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005508	0	51	-1.0	-50.78	435.06	1.53	-49.25
C[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005509	0	44	-1.0	-47.46	393.03	0.88	-46.58
C[C@H](CNC(=O)C1CCCN(C)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005510	0	46	-1.0	-50.36	389.79	-1.05	-51.41
C[C@H](CNC(=O)CCOC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005511	0	43	-1.0	-46.48	380.84	-1.09	-47.57
C[C@H](CNC(=O)C(C)(C)NC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005512	0	50	-1.0	-45.72	415.72	0.45	-45.27
CNC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(Cl)=C1	REAL300025005513	0	44	-1.0	-47.53	397.66	-0.30	-47.83
C[C@H](CNC(=O)C=CC1=CN=CN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005514	0	43	-1.0	-50.95	385.29	0.71	-50.24
CC1=CC=CC(C=CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005515	0	46	-1.0	-46.84	406.28	2.23	-44.61
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CN=CC=N1	REAL300025005516	0	43	-1.0	-50.38	380.49	-2.21	-52.59
CCCCC(O)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005517	0	51	-1.0	-46.25	432.01	-1.27	-47.52
C[C@H](CNC(=O)CN1CCCCC(=O)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005518	0	48	-1.0	-53.57	411.94	-0.76	-54.33
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
COC(=O)C1=CC(C)=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025005520	0	45	-1.0	-47.08	409.38	-0.09	-47.17
COC1C[N@H+](C)C(C)(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005521	0	52	0.0	-66.34	420.94	-0.74	-67.08
COC1C[N@@H+](C)C(C)(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005521	1	51	-1.0	-43.63	413.54	-2.41	-46.04
COC1CN(C)C(C)(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005521	1	51	-1.0	-43.63	413.54	-2.41	-46.04
C[C@H](CNC(=O)CCCCCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005522	0	45	-1.0	-48.47	390.86	-2.92	-51.39
CC1=NNC2=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CC=C12	REAL300025005523	0	45	-1.0	-50.15	396.74	-0.23	-50.38
C[C@H](CNC(=O)C1=CS(=O)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005524	0	42	-1.0	-55.59	374.84	-2.32	-57.91
C[C@H](CNC(=O)C1(C#N)CC2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005525	0	50	-1.0	-47.07	409.82	1.45	-45.62
C[C@H](CNC(=O)CNS(N)(=O)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005526	0	39	-1.0	-54.39	364.82	-9.04	-63.43
COC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCSC1	REAL300025005527	0	44	-1.0	-46.06	382.45	-1.10	-47.16
C[C@H](CNC(=O)C1=CSN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005528	0	35	-1.0	-47.88	349.49	-1.55	-49.43
C[C@H](CNC(=O)C1(C(F)F)CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005529	0	46	-1.0	-46.81	388.72	-1.00	-47.81
CC1=NC=C([N+](=O)[O-])N1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005530	0	44	-1.0	-53.04	402.42	1.35	-51.69
C[C@H](CNC(=O)C1=CC=NN=C1NC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005531	0	46	-1.0	-48.79	403.98	-0.47	-49.26
COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005532	0	42	-1.0	-50.88	379.23	-0.39	-51.27
C[C@H](CNC(=O)C1=CC=C2C(C#N)=CNC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005533	0	44	-1.0	-54.10	402.83	0.89	-53.21
CC1=CON=C1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005534	0	41	-1.0	-51.18	370.81	-1.03	-52.21
CCOCC(N=[N+]=[N-])C(=O)NC[C@@H](C)NC(=O)CSC1=NC(=O)NN1	REAL300025005535	0	44	-1.0	-52.94	399.07	-5.57	-58.51
CCOCC(N=[N+]=[N-])C(=O)NC[C@@H](C)NC(=O)CSC1=NC(=O)[N-]N1	REAL300025005535	1	44	-1.0	-52.94	399.07	-5.57	-58.51
C[C@H](CNC(=O)C1CCC(F)(F)CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005536	0	43	-1.0	-50.66	381.00	-0.38	-51.04
C#CC1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005537	0	41	-1.0	-48.44	377.59	1.57	-46.87
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005538	0	48	-1.0	-49.82	413.32	1.00	-48.82
C[C@H](CNC(=O)C1=CC=C(F)C([O-])=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005539	0	40	-1.0	-50.29	371.90	-2.32	-52.61
C[C@H](CNC(=O)C1=CC=C(F)C(O)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005539	1	40	-1.0	-50.29	371.90	-2.32	-52.61
C[C@H](CNC(=O)C=CC1=CC=CC(C#N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005540	0	44	-1.0	-49.45	405.72	1.96	-47.49
CC1=CC(C#N)=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025005541	0	42	-1.0	-47.30	390.05	-0.32	-47.62
CCC1=NOC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025005542	0	40	-1.0	-48.28	367.37	-3.54	-51.82
CC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025005543	0	50	0.0	-69.00	407.72	0.81	-68.19
CCOCN1N=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300025005544	0	47	-1.0	-52.15	417.53	-4.74	-56.89
COC1=CC=CC(C=CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005545	0	47	-1.0	-48.24	414.35	0.87	-47.37
CC1=CC=C(C=CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025005546	0	43	-1.0	-46.50	396.91	1.45	-45.05
C[C@H](CNC(=O)C=CC1=CC=C(Cl)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005547	0	42	-1.0	-49.28	396.62	0.23	-49.05
C[C@H](CNC(=O)C1=C(CC#N)C=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005548	0	40	-1.0	-49.73	380.02	0.53	-49.20
CCNC1=CC=C(C)C=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005549	0	50	-1.0	-45.72	422.91	1.05	-44.67
C[C@H](CNC(=O)C1=CC2=CC=C(O)C=C2N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005550	0	44	-1.0	-48.77	395.11	-2.54	-51.31
C[C@H](CNC(=O)[C@@H]1CCC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005551	0	46	-1.0	-45.21	396.66	2.12	-43.09
C[C@H](CNC(=O)CN1C=C(N)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005552	0	41	-1.0	-52.61	370.80	-3.64	-56.25
C[C@H](CNC(=O)CN1CC2=CC=CC=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005553	0	48	-1.0	-48.76	413.00	-0.44	-49.20
CC(CCO)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005554	0	42	-1.0	-48.51	364.04	-3.97	-52.48
C[C@H](CNC(=O)C(F)=CC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005555	0	40	-1.0	-45.24	365.04	0.31	-44.93
C[C@H](CNC(=O)[C@@H]1COC[C@H]1C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005556	0	43	-1.0	-46.79	386.36	-1.63	-48.42
C[C@H](CNC(=O)C1=NC2=C(COCC2)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005557	0	43	-1.0	-49.86	392.37	-2.36	-52.22
CC(C)N1CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1=O	REAL300025005558	0	52	-1.0	-49.34	427.60	0.15	-49.19
C[C@H](CNC(=O)C1=CC=C(C(C)(C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005559	0	49	-1.0	-45.97	419.19	0.52	-45.45
COC(=O)C1=NN(C)C=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005560	0	45	-1.0	-55.93	406.27	-0.22	-56.15
C[C@H](CNC(=O)CC1CC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005561	0	42	-1.0	-48.33	369.46	0.23	-48.10
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C[C@H](CNC(=O)C(F)CC1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005563	0	45	-1.0	-46.42	390.28	0.94	-45.48
COC1=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NC=C1F	REAL300025005564	0	41	-1.0	-47.77	381.79	-3.58	-51.35
C[C@H](CNC(=O)C1CC[N@@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005565	0	50	0.0	-65.72	405.76	-0.88	-66.60
C[C@H](CNC(=O)C1CC[N@H+]2CCOCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005565	1	50	0.0	-65.72	405.76	-0.88	-66.60
COC(=O)C12CC(CC(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)(C1)C2	REAL300025005566	0	49	-1.0	-49.46	426.04	1.36	-48.10
C[C@H](CNC(=O)C(F)CC1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005567	0	48	-1.0	-46.36	404.70	1.43	-44.93
C[C@H](CNC(=O)C1CC2(CC2(F)F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005568	0	43	-1.0	-46.70	387.19	0.90	-45.80
C[C@H](CNC(=O)C1=NC=CC=C1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005569	0	42	-1.0	-47.44	373.31	-3.82	-51.26
C[C@H](CNC(=O)C(F)=CC1=CNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005570	0	40	-1.0	-53.56	370.91	-0.39	-53.95
CC1=[NH+]C=C2C=CC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300025005571	0	45	-1.0	-49.19	398.69	1.62	-47.57
CC1=NC=C2C=CC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)=CN21	REAL300025005571	1	45	-1.0	-49.19	398.69	1.62	-47.57
C[C@H](CNC(=O)C1=C2SC=CC2=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005572	0	41	-1.0	-49.35	380.13	-0.11	-49.46
CCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1C=CC=N1	REAL300025005573	0	45	-1.0	-48.09	391.00	-0.24	-48.33
C[C@H](CNC(=O)C12CCCC1CC(=O)CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005574	0	51	-1.0	-47.39	408.76	1.41	-45.98
C[C@H](CNC(=O)CCC1CCC(=O)NC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005575	0	49	-1.0	-51.96	414.42	-1.94	-53.90
C[C@H](CNC(=O)C1=CN=C2CCCCC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005576	0	47	-1.0	-46.23	405.56	-0.79	-47.02
C[C@H](CNC(=O)C[C@@H]1CCC[C@H](C2CC2)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005577	0	53	-1.0	-47.61	439.72	2.45	-45.16
C[C@H](CNC(=O)[C@H](O)CF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005578	0	36	-1.0	-48.50	332.05	-3.89	-52.39
C[C@H](CNC(=O)C1=CC2(C1)CCOC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005579	0	45	-1.0	-47.07	390.89	-0.82	-47.89
CCC1(C)C=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005580	0	46	-1.0	-45.73	394.19	1.13	-44.60
CCC1(C)CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005581	0	48	-1.0	-45.02	393.67	0.96	-44.06
CC1=NN=C(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1C	REAL300025005582	0	47	-1.0	-55.17	411.76	0.71	-54.46
C[C@H](CNC(=O)CN1N=C2CCCCC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005583	0	48	-1.0	-53.45	413.88	-0.79	-54.24
C[C@H](CNC(=O)C1=C(F)C=C2OC=CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005584	0	42	-1.0	-49.05	382.20	0.80	-48.25
C[C@H](CNC(=O)C1=COC2=C1COC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005585	0	41	-1.0	-49.52	369.81	-2.19	-51.71
C[C@H](CNC(=O)[C@H]1C[C@H](N2C=NN=C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005586	0	45	-1.0	-53.33	394.87	2.07	-51.26
CC(C(F)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300025005587	0	41	-1.0	-47.63	377.47	-0.32	-47.95
C[C@H](CNC(=O)C1=NN2CC(F)CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005588	0	43	-1.0	-52.94	386.27	-0.92	-53.86
CCN1C=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025005589	0	41	-1.0	-52.94	372.23	-0.34	-53.28
C[C@H](CNC(=O)C1CC2(C1)CC1(CCC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005590	0	53	-1.0	-45.07	439.40	3.06	-42.01
C[C@H](CNC(=O)CC1COCCN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005591	0	49	0.0	-65.24	393.67	-1.52	-66.76
C[C@H](CNC(=O)CC1COCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005591	1	49	0.0	-71.87	401.14	-1.38	-73.25
C[C@H](CNC(=O)CC1COCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005591	1	49	0.0	-71.87	401.14	-1.38	-73.25
CCCC(C)(O)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005592	0	48	-1.0	-45.32	398.00	-1.03	-46.35
COC(=O)C(F)(F)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005593	0	38	-1.0	-47.77	359.16	-0.74	-48.51
COCC1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(N)=N1	REAL300025005594	0	46	-1.0	-48.92	406.10	-3.54	-52.46
C[C@H](CNC(=O)C1(CCO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005595	0	43	-1.0	-46.95	378.53	-3.29	-50.24
C[C@H](CNC(=O)C1=CC=C(O)C(N)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005596	0	41	-1.0	-47.58	372.54	-5.29	-52.87
CCOC(=O)C(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025005597	0	50	-1.0	-48.44	425.67	0.82	-47.62
CC(C)C(C)(O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005598	0	45	-1.0	-45.18	376.75	-3.07	-48.25
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
CC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C(Cl)C=C1N	REAL300025005600	0	44	-1.0	-47.66	395.49	-0.47	-48.13
C[C@H](CNC(=O)CC1=CC=CC(O)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005601	0	43	-1.0	-51.48	391.25	-1.74	-53.22
CC[NH+]1CCN(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025005602	0	52	-1.0	-46.56	423.59	-3.41	-49.97
CCN1CCN(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025005602	1	52	-1.0	-46.56	423.59	-3.41	-49.97
CCC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CN(C)C1=O	REAL300025005603	0	48	-1.0	-51.42	417.39	0.61	-50.81
COC1=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300025005604	0	42	-1.0	-47.69	384.91	-5.44	-53.13
COC1=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)N1	REAL300025005604	1	42	-1.0	-47.69	384.91	-5.44	-53.13
C[C@H](CNC(=O)C(=O)C1=CC(F)=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005605	0	41	-1.0	-47.99	381.85	0.35	-47.64
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
COC(=O)C1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025005607	0	42	-1.0	-45.82	374.87	-0.27	-46.09
COC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025005608	0	46	-1.0	-44.91	383.35	-0.93	-45.84
C[C@H](CNC(=O)C(F)(F)C(C)(C)O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005609	0	42	-1.0	-45.77	371.76	-2.46	-48.23
C[C@H](CNC(=O)C(O)C1=CC=CN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005610	0	42	-1.0	-47.58	377.52	-2.64	-50.22
C[C@H](CNC(=O)C1=CC=C(C#N)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005611	0	37	-1.0	-48.51	355.88	-1.05	-49.56
C[C@H](CNC(=O)COC(C)(C)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005612	0	45	-1.0	-50.60	400.21	-0.14	-50.74
CC1=CC(Cl)=CC(N)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005613	0	44	-1.0	-46.55	403.65	-0.82	-47.37
CC1=C(N)C=NN1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005614	0	44	-1.0	-52.03	390.37	-3.16	-55.19
C[C@H](CNC(=O)C1CC1(C)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005615	0	49	-1.0	-46.92	422.70	3.18	-43.74
CNC1=NN=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025005616	0	42	-1.0	-53.21	392.77	-2.69	-55.90
CC(=O)[C@@H]1C[C@H](CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025005617	0	53	-1.0	-47.83	438.08	1.68	-46.15
COC(=O)CSCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005618	0	42	-1.0	-53.27	393.26	-0.56	-53.83
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)C1CC2(CC(C#N)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005620	0	47	-1.0	-51.54	410.02	1.50	-50.04
CC(SC1=CC=CC=C1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005621	0	46	-1.0	-47.97	412.13	1.99	-45.98
C[C@H](CNC(=O)C1=CC(O)=CC=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005622	0	41	-1.0	-49.41	370.20	-3.93	-53.34
C[C@H](CNC(=O)C1CC2CCCC(C1)C2=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005623	0	51	-1.0	-49.23	412.92	1.14	-48.09
CC(=O)C1=CN(C)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005624	0	45	-1.0	-49.50	398.62	0.24	-49.26
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(N)=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005626	0	41	-1.0	-49.03	369.98	-1.67	-50.70
C[C@H](CNC(=O)C1=CC(N)=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005627	0	41	-1.0	-47.15	377.94	-1.23	-48.38
COC(=O)C1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005628	0	45	-1.0	-51.21	405.10	1.04	-50.17
CC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1N	REAL300025005629	0	44	-1.0	-47.64	383.07	-0.98	-48.62
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C(CO)O1	REAL300025005630	0	43	-1.0	-48.75	385.32	-3.35	-52.10
C[C@H](CNC(=O)C1=CC=NC2=NC=NN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005631	0	40	-1.0	-52.94	365.32	1.69	-51.25
C[C@H](CNC(=O)CC(C)(O)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005632	0	42	-1.0	-47.28	377.75	-2.46	-49.74
CC1=CSC(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025005633	0	41	-1.0	-49.74	381.55	-1.23	-50.97
C[C@H](CNC(=O)C(F)(F)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005634	0	42	-1.0	-46.93	384.56	1.16	-45.77
C[C@H](CNC(=O)CC1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005635	0	41	-1.0	-50.72	368.40	-0.54	-51.26
CC(=O)C1=CC=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005636	0	44	-1.0	-50.31	391.16	0.89	-49.42
C[C@H](CNC(=O)C1=CC=NC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005637	0	38	-1.0	-47.55	362.39	-0.95	-48.50
C[C@H](CNC(=O)C1(O)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005638	0	40	-1.0	-45.96	348.24	-3.70	-49.66
C[C@H](CNC(=O)CSCC1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005639	0	45	-1.0	-51.55	414.37	0.59	-50.96
C[C@H](CNC(=O)C(O)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005640	0	40	-1.0	-46.13	354.03	-2.24	-48.37
C[C@H](CNC(=O)C1=CC=CC=C1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005641	0	43	-1.0	-46.99	375.96	-2.10	-49.09
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C[C@H](CNC(=O)C1=CC=C(Cl)C([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005665	0	40	-1.0	-47.51	377.36	-1.91	-49.42
C[C@H](CNC(=O)C1=CC=C(Cl)C(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005665	1	40	-1.0	-47.51	377.36	-1.91	-49.42
C[C@H](CNC(=O)C1=CC=NC(F)=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005666	0	38	-1.0	-48.90	364.11	-0.92	-49.82
C[C@H](CNC(=O)C(F)(F)C(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005667	0	35	-1.0	-46.63	338.35	-1.45	-48.08
CC1=CC(N)=NC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005668	0	43	-1.0	-48.02	376.57	-1.97	-49.99
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COC1=CC=C(F)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005670	0	43	-1.0	-49.31	384.35	-0.25	-49.56
C[C@H](CNC(=O)CCC1=CC=C(N)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005671	0	46	-1.0	-48.67	406.37	-1.17	-49.84
C[C@H](CNC(=O)C1=CC(F)=C(N)C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005672	0	41	-1.0	-46.44	376.17	-1.56	-48.00
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C[C@H](CNC(=O)C1=CC=C2C=NSC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005674	0	41	-1.0	-48.91	381.78	0.50	-48.41
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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
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C[C@H](CNC(=O)C1=NN(CC#N)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005732	0	40	-1.0	-58.17	376.70	-1.25	-59.42
C[C@H](CNC(=O)C1=CC=NN1CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005733	0	51	0.0	-68.34	430.71	0.24	-68.10
C[C@H](CNC(=O)C1=CC=CC=C1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005734	0	46	-1.0	-46.20	394.17	2.43	-43.77
C[C@H](CNC(=O)C1=NNN=C1C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005735	0	38	-1.0	-46.87	362.83	-3.61	-50.48
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C[C@H](CNC(=O)CN1C=NC(N)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005737	0	40	-1.0	-56.25	365.38	-0.49	-56.74
C[C@H](CNC(=O)C1=CC=C2NCCCC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005738	0	47	-1.0	-48.32	405.60	-1.37	-49.69
CC(=O)[C@@H]1C[C@H](C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025005739	0	50	-1.0	-50.26	416.18	0.91	-49.35
CC(=O)NC(CC(C)C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005740	0	51	-1.0	-52.46	426.38	-0.14	-52.60
C[C@H](CNC(=O)C1=CCCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005741	0	44	-1.0	-46.38	373.21	-1.14	-47.52
C[C@H](CNC(=O)[C@H]1CCO[C@H]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005742	0	43	-1.0	-47.94	367.16	-1.89	-49.83
C[C@H](CNC(=O)C1=NC=CC2=NC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005743	0	43	-1.0	-48.61	383.49	-0.98	-49.59
C[C@H](CNC(=O)CCC1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005744	0	46	-1.0	-48.41	403.72	1.52	-46.89
C[C@H](CNC(=O)C1CC(F)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005745	0	39	-1.0	-47.61	348.32	-0.54	-48.15
CCC(=O)N[C@@H]1CC[C@H](C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005746	0	52	-1.0	-50.61	439.02	-0.74	-51.35
C[C@H](CNC(=O)C1C[C@H]2CC(=O)[C@@H]1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005747	0	45	-1.0	-51.90	379.80	1.47	-50.43
COC(=O)C1=NC=CN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005748	0	43	-1.0	-53.75	394.90	-1.75	-55.50
CCC(O)C(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005749	0	45	-1.0	-47.87	380.27	-2.01	-49.88
C[C@H](CNC(=O)C1=C2N=CNC2=NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005750	0	40	-1.0	-54.21	367.88	-0.75	-54.96
C[C@H](CNC(=O)C1=NC=CC=C1N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005751	0	46	-1.0	-48.28	400.15	-0.68	-48.96
C[C@H](CNC(=O)C1=C2N=CC=CN2C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005752	0	41	-1.0	-58.73	375.34	0.82	-57.91
CC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NC=C1C#N	REAL300025005753	0	42	-1.0	-47.46	387.79	-0.42	-47.88
CC1=CN=C(F)C=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005754	0	41	-1.0	-47.68	368.18	-0.78	-48.46
C[C@H](CNC(=O)C1=CSC(CO)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005755	0	39	-1.0	-49.32	370.93	-5.26	-54.58
CCC(C)(C)OCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005756	0	48	-1.0	-48.08	400.63	0.19	-47.89
CC(=O)C1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025005757	0	40	-1.0	-47.87	383.28	-1.84	-49.71
CC(C)C(=O)C1=CNC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005758	0	48	-1.0	-54.51	422.77	0.11	-54.40
C[C@H](CNC(=O)CC1CC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005759	0	40	-1.0	-52.13	360.30	-4.60	-56.73
C[C@H](CNC(=O)[C@@H]1C[C@H]1C1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005760	0	47	-1.0	-47.99	411.97	2.12	-45.87
CC1=NC=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025005761	0	41	-1.0	-49.48	381.66	-0.96	-50.44
C[C@H](CNC(=O)C(O)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005762	0	43	-1.0	-46.00	369.43	-1.65	-47.65
C[C@H](CNC(=O)C1CCOC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005763	0	41	-1.0	-54.50	365.61	-4.19	-58.69
CCSC1=CC=CN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005764	0	45	-1.0	-48.68	403.87	0.50	-48.18
CCC1(CC)CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005765	0	51	-1.0	-45.11	416.74	1.68	-43.43
C[C@H](CNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005766	0	45	0.0	-68.39	381.97	-0.37	-68.76
COC(=O)C1=NN(C)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005767	0	45	-1.0	-50.53	407.63	-1.35	-51.88
C[C@H](CNC(=O)C1=C2ON=NC2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005768	0	40	-1.0	-52.74	365.77	-1.01	-53.75
CC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CN=C1F	REAL300025005769	0	41	-1.0	-48.12	372.07	-0.83	-48.95
C[C@H](CNC(=O)CC1=CC=C2CCNC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005770	0	48	-1.0	-49.18	414.95	0.25	-48.93
CC1=NN=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025005771	0	37	-1.0	-49.22	355.48	-2.86	-52.08
C[C@H](CNC(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005772	0	52	0.0	-66.09	421.21	1.60	-64.49
C[C@H](CNC(=O)C1CC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005772	1	51	-1.0	-46.73	419.18	-1.14	-47.87
C[C@H](CNC(=O)C1CCN1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005772	1	51	-1.0	-46.73	419.18	-1.14	-47.87
C[C@H](CNC(=O)C1CC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005773	0	43	-1.0	-48.25	372.59	-3.46	-51.71
CCCCCC(O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005774	0	48	-1.0	-46.31	410.73	-0.88	-47.19
C[C@H](CNC(=O)C1=CC=CC(N)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005775	0	40	-1.0	-47.38	362.70	-2.59	-49.97
COC(=O)C1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025005776	0	44	-1.0	-49.59	401.05	-0.78	-50.37
C[C@H](CNC(=O)C1=CC=C(O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005777	0	40	-1.0	-47.75	361.31	-2.45	-50.20
C[C@H](CNC(=O)C1=CC(=O)NC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005778	0	39	-1.0	-51.02	360.52	-5.34	-56.36
C[C@H](CNC(=O)C1=CC=C2OCOC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005779	0	42	-1.0	-48.90	376.36	-0.95	-49.85
C[C@H](CNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005780	0	40	-1.0	-46.31	348.45	-3.58	-49.89
C[C@H](CNC(=O)CN(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005780	1	40	-1.0	-46.31	348.45	-3.58	-49.89
C[C@H](CNC(=O)C1=CC(O)=CC=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005781	0	42	-1.0	-47.36	371.75	-4.27	-51.63
C[C@H](CNC(=O)C1=CC=C(Cl)C=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005782	0	41	-1.0	-45.15	377.45	-0.89	-46.04
C[C@H](CNC(=O)C1=CC=CC(N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005783	0	41	-1.0	-47.26	365.42	-1.74	-49.00
C[C@H](CNC(=O)C1=CC=C(Cl)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005784	0	38	-1.0	-47.62	362.19	-0.97	-48.59
C[C@H](CNC(=O)C1=CC=C(C#N)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005785	0	40	-1.0	-48.46	371.14	0.77	-47.69
CC1=CC=C(SCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025005786	0	46	-1.0	-48.12	414.89	2.21	-45.91
C[C@H](CNC(=O)C1=CC=C(N)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005787	0	41	-1.0	-47.42	365.29	-1.75	-49.17
C[C@H](CNC(=O)CCC(=O)C1=CC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005788	0	44	-1.0	-48.76	407.47	0.79	-47.97
C[C@H](CNC(=O)C1=CC=C(N)C([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005789	0	43	-1.0	-51.03	388.79	-0.88	-51.91
CC(SC(F)(F)F)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005790	0	39	-1.0	-46.24	373.18	-0.41	-46.65
C[C@H](CNC(=O)C1=CC=CN=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005791	0	38	-1.0	-51.14	349.89	-1.42	-52.56
C[C@H](CNC(=O)C1=CC(Cl)=NNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005792	0	38	-1.0	-47.28	364.57	-3.38	-50.66
C[C@H](CNC(=O)CCC1=CC=C(C#N)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005793	0	46	-1.0	-49.48	417.21	2.27	-47.21
C[C@H](CNC(=O)C1=CC=CC=C1S(C)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005794	0	44	-1.0	-57.15	396.21	0.36	-56.79
C[C@H](CNC(=O)C1=CC=CC=C1CC#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005795	0	43	-1.0	-50.32	385.28	1.42	-48.90
C[C@H](CNC(=O)CC1NC(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005796	0	41	-1.0	-50.29	372.19	-6.35	-56.64
C[C@H](CNC(=O)CCNC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005797	0	47	-1.0	-47.67	409.98	-0.01	-47.68
CC1=C(N)C=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1N	REAL300025005798	0	46	-1.0	-47.61	394.62	-3.00	-50.61
C[C@H](CNC(=O)C1=CN(CC(F)F)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005799	0	42	-1.0	-49.84	389.86	-0.73	-50.57
CCOC1C(C)C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005800	0	46	-1.0	-45.23	396.94	-0.53	-45.76
C[C@H](CNC(=O)C1CCCN2C=CN=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005801	0	46	-1.0	-50.52	393.53	0.75	-49.77
CC1=NC2=C(NC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)=C2)S1	REAL300025005802	0	42	-1.0	-49.42	391.03	-1.76	-51.18
CC(C)[C@H](NC(N)=O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005803	0	47	-1.0	-49.10	398.72	-4.99	-54.09
CC1=CC=CC(C)=C1NCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005804	0	50	-1.0	-46.68	427.49	0.87	-45.81
C[C@H](CNC(=O)C1CC1C1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005805	0	52	-1.0	-44.96	426.46	2.64	-42.32
CNC1=CC(Cl)=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005806	0	44	-1.0	-45.48	396.74	0.06	-45.42
C[C@H](CNC(=O)C1=CN=C(NC2CC2)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005807	0	44	-1.0	-46.59	406.69	-0.69	-47.28
C[C@H](CNC(=O)CC1C(=O)N=CNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005808	0	42	-1.0	-59.50	377.76	-2.87	-62.37
C[C@H](CNC(=O)C1=CC=C(NC=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005809	0	43	-1.0	-53.23	384.82	-1.43	-54.66
C[C@H](CNC(=O)C1CC1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005810	0	36	-1.0	-45.65	332.26	-1.05	-46.70
COC(=O)C1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300025005811	0	44	-1.0	-51.29	401.27	-0.76	-52.05
C[C@H](CNC(=O)C1=CC=NC(C#N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005812	0	39	-1.0	-49.72	366.49	-1.08	-50.80
C[C@H](CNC(=O)C1=CC=CC=C1C(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005813	0	42	-1.0	-47.12	378.55	1.16	-45.96
C[C@H](CNC(=O)C1=CC=NC(OCCO)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005814	0	46	-1.0	-51.08	410.94	-5.06	-56.14
C[C@H](CNC(=O)COC1(C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005815	0	46	-1.0	-48.33	392.13	0.21	-48.12
COC(=O)C1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025005816	0	48	-1.0	-51.00	413.18	0.58	-50.42
C[C@H](CNC(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005817	0	48	0.0	-67.98	400.97	-3.22	-71.20
C[C@H](CNC(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005817	1	48	0.0	-67.98	400.97	-3.22	-71.20
C[C@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005818	0	43	-1.0	-45.94	362.61	-3.21	-49.15
C[C@H](CNC(=O)[C@H](C)N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005818	1	43	-1.0	-45.94	362.61	-3.21	-49.15
C[C@H](CNC(=O)C1=CC=C2OC=NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005819	0	41	-1.0	-51.48	371.92	-2.71	-54.19
C[C@H](CNC(=O)C1=CN=C(N)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005820	0	39	-1.0	-48.16	355.46	-2.25	-50.41
C[C@H](CNC(=O)CCF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005821	0	35	-1.0	-45.93	321.54	-1.77	-47.70
COC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300025005822	0	42	-1.0	-46.82	377.06	-2.05	-48.87
C[C@H](CNC(=O)C1=CC(F)=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005823	0	36	-1.0	-47.37	339.27	-3.33	-50.70
C[C@H](CNC(=O)C1=CCC(C)(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005824	0	49	-1.0	-45.26	402.27	1.56	-43.70
C[C@H](CNC(=O)C1C=CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005825	0	40	-1.0	-45.55	350.59	-0.12	-45.67
C[C@H](CNC(=O)C1=CC=C(N)C(N)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005826	0	42	-1.0	-48.34	374.40	-4.43	-52.77
C[C@H](CNC(=O)C1(C)CCC(=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005827	0	44	-1.0	-49.74	379.21	-0.41	-50.15
C[C@H](CNC(=O)C1=CC=CC(C(C)(C)C)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005828	0	50	-1.0	-47.08	426.80	1.26	-45.82
C[C@H](CNC(=O)C1CCCC(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005829	0	46	-1.0	-48.14	387.19	-2.71	-50.85
C[C@H](CNC(=O)C1(C#N)CC(=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005830	0	39	-1.0	-51.14	363.29	-1.39	-52.53
CCC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)COC1	REAL300025005831	0	43	-1.0	-46.32	367.84	-1.92	-48.24
CC1=CC=CC(C(F)(F)C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005832	0	45	-1.0	-46.96	405.98	1.83	-45.13
C#CC(C)(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005833	0	40	-1.0	-47.72	359.20	-0.25	-47.97
CSC1CCCC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005834	0	46	-1.0	-46.91	398.76	0.82	-46.09
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)CNC1=CC=C(C#N)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005836	0	45	-1.0	-49.62	408.60	-0.23	-49.85
C[C@H](CNC(=O)C1=CNC(C(F)(F)F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005837	0	40	-1.0	-48.93	378.49	-0.77	-49.70
COC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C#N	REAL300025005838	0	44	-1.0	-50.04	399.96	0.09	-49.95
C[C@H](CNC(=O)[C@@H](O)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005839	0	46	-1.0	-47.79	406.07	-0.21	-48.00
C[C@H](CNC(=O)C1=COC2=CC=CC=C2O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005840	0	43	-1.0	-52.47	386.65	1.07	-51.40
C[C@H](CNC(=O)C(C1=CN=CN1C)N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005841	0	50	-1.0	-48.92	425.47	-1.08	-50.00
C[C@H](CNC(=O)CC1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005842	0	51	0.0	-62.23	402.29	0.87	-61.36
C[C@H](CNC(=O)CC1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005842	1	51	0.0	-62.23	402.29	0.87	-61.36
C[C@H](CNC(=O)C(O)C1=CN=CN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005843	0	43	-1.0	-49.54	381.46	-1.80	-51.34
C[C@H](CNC(=O)CCC(=O)C1=CN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005844	0	47	-1.0	-51.18	421.59	-0.44	-51.62
C[C@H](CNC(=O)C1=CC(F)=CC2=NNN=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005845	0	41	-1.0	-50.04	377.31	-2.23	-52.27
CCOC1=CC=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300025005846	0	48	-1.0	-51.15	419.86	-0.37	-51.52
C[C@H](CNC(=O)C1CCC(=O)C2=CC=CN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005847	0	46	-1.0	-50.61	397.84	0.89	-49.72
C[C@H](CNC(=O)C=CC1CCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005848	0	44	-1.0	-47.58	384.62	-1.23	-48.81
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(N)=C1C	REAL300025005849	0	47	-1.0	-45.94	396.11	-0.11	-46.05
C[C@H](CNC(=O)C1=C(F)C=CN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005850	0	38	-1.0	-49.09	371.19	-1.13	-50.22
COC1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300025005851	0	44	-1.0	-48.31	388.87	-4.25	-52.56
CC(C)N1N=CN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005852	0	44	-1.0	-47.28	388.20	0.39	-46.89
CC(C)C(O)C(F)(F)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005853	0	45	-1.0	-45.36	390.77	-1.57	-46.93
C[C@H](CNC(=O)C1=NC=CC(Cl)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005854	0	38	-1.0	-48.41	368.46	-0.75	-49.16
C[C@H](CNC(=O)C=CC(=O)C1=CN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005855	0	45	-1.0	-51.42	412.60	-0.68	-52.10
C[C@H](CNC(=O)C1=CC2=NC=NN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005856	0	41	-1.0	-51.59	372.36	0.79	-50.80
CC1=CC(=O)NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005857	0	42	-1.0	-52.13	376.63	-1.98	-54.11
COC(C)C(O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005858	0	43	-1.0	-46.95	377.37	-3.89	-50.84
C[C@H](CNC(=O)C1CCC2=CC=CC(O)=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005859	0	47	-1.0	-46.91	402.56	-0.20	-47.11
C[C@H](CNC(=O)C1=CSC=C1C#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005860	0	37	-1.0	-52.69	359.74	-0.40	-53.09
C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005861	0	39	-1.0	-54.49	351.19	-6.49	-60.98
C[C@H](CNC(=O)C(C)(C)CS(N)(=O)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005862	0	46	-1.0	-52.14	399.14	-5.49	-57.63
COC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1O	REAL300025005863	0	47	-1.0	-48.10	411.13	-1.05	-49.15
C[C@H](CNC(=O)C1=CN2CCSC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005864	0	41	-1.0	-53.32	379.86	-0.38	-53.70
C[C@H](CNC(=O)CC1=CC=NC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005865	0	41	-1.0	-51.02	376.27	-0.75	-51.77
CCC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1O	REAL300025005866	0	46	-1.0	-47.50	402.88	-0.96	-48.46
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
CCSC(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005868	0	42	-1.0	-47.32	377.92	-0.04	-47.36
CCSC1=CN=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025005869	0	44	-1.0	-44.34	407.36	-1.17	-45.51
CC1=C2C=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=N1	REAL300025005870	0	46	0.0	-67.62	402.88	2.87	-64.75
CC1=C2C=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300025005870	1	46	0.0	-67.62	402.88	2.87	-64.75
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1CC(C)C1	REAL300025005871	0	48	0.0	-64.52	398.16	0.53	-63.99
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CC(C)C1	REAL300025005871	1	48	0.0	-64.52	398.16	0.53	-63.99
CC(=O)NCCNC(=O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005872	0	46	-1.0	-52.27	414.52	-5.92	-58.19
C[C@H](CNC(=O)C1CCC(C)(C)OC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005873	0	49	-1.0	-46.10	401.94	-0.59	-46.69
C[C@H](CNC(=O)C1=C(F)C=CC(N)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005874	0	41	-1.0	-49.64	380.76	-1.76	-51.40
CSCC1=CC=CN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005875	0	45	-1.0	-48.03	406.56	0.54	-47.49
C[C@H](CNC(=O)CN1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005876	0	45	0.0	-65.81	381.86	-0.11	-65.92
C[C@H](CNC(=O)C[N@@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005876	1	45	0.0	-65.11	376.32	-0.38	-65.49
C[C@H](CNC(=O)C[N@H+]1CCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005876	1	45	0.0	-65.11	376.32	-0.38	-65.49
C[C@H](CNC(=O)C1=CC=C(C2=CC=CO2)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005877	0	44	-1.0	-48.08	399.85	-0.18	-48.26
C[C@H](CNC(=O)CC(O)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005878	0	49	-1.0	-50.51	426.95	0.25	-50.26
COC(C)(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025005879	0	46	-1.0	-45.18	387.44	-0.82	-46.00
C[C@H](CNC(=O)C=CC1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005880	0	43	-1.0	-47.22	391.28	1.64	-45.58
CC1=CC=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300025005881	0	43	-1.0	-47.15	376.61	-2.36	-49.51
CC(C)OC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025005882	0	49	-1.0	-44.51	406.46	-0.06	-44.57
CC1=CC=C(N)C(C)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005883	0	47	-1.0	-47.40	404.55	-0.74	-48.14
C[C@H](CNC(=O)C1CC12CC(C)(C)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005884	0	49	-1.0	-45.28	413.37	1.90	-43.38
CC1=CC=CC2=C1CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N2	REAL300025005885	0	48	-1.0	-48.32	413.91	0.25	-48.07
C[C@H](CNC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005886	0	46	-1.0	-53.10	408.34	-4.73	-57.83
COC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005887	0	45	-1.0	-50.15	392.86	-0.12	-50.27
CO[C@]12CCC[C@@]1(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)CCO2	REAL300025005888	0	51	-1.0	-49.18	416.08	0.29	-48.89
C[C@H](CNC(=O)C1CCCN2N=CN=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005889	0	45	-1.0	-49.38	389.06	0.57	-48.81
CC1=NC=C(C=CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025005890	0	42	-1.0	-47.41	392.14	-0.45	-47.86
CCSC1=CN=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005891	0	45	-1.0	-47.85	402.97	0.46	-47.39
C[C@H](CNC(=O)CC1=NOC(C2CC2)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005892	0	45	-1.0	-52.08	402.76	0.83	-51.25
C[C@H](CNC(=O)C=CC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005893	0	45	0.0	-70.94	387.76	0.05	-70.89
CC1=CC(C(=O)C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1F	REAL300025005894	0	44	-1.0	-45.62	397.55	0.90	-44.72
C[C@H](CNC(=O)C1=NC=CC2=NC=NC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005895	0	42	-1.0	-47.43	378.51	-1.21	-48.64
CCN1C=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025005896	0	45	-1.0	-54.54	397.31	0.12	-54.42
C[C@H](CNC(=O)C1=NN2CCCNC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005897	0	45	-1.0	-50.36	393.43	-2.01	-52.37
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
C[C@H](CNC(=O)C1(C)CC(C#N)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005899	0	43	-1.0	-49.33	375.29	-0.02	-49.35
COC(=O)C1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025005900	0	43	-1.0	-47.81	394.43	-1.27	-49.08
C[C@H](CNC(=O)C1=CCS(=O)(=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005901	0	40	-1.0	-54.66	369.65	-4.05	-58.71
C[C@H](CNC(=O)CCCC(=O)C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005902	0	52	-1.0	-52.29	438.52	1.38	-50.91
CC1=NOC(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005903	0	44	-1.0	-48.87	393.29	0.04	-48.83
C[C@H](CNC(=O)C1=CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005904	0	38	-1.0	-46.83	350.56	-0.34	-47.17
C[C@H](CNC(=O)CCCC(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005905	0	41	-1.0	-48.04	370.60	-0.08	-48.12
C[C@H](CNC(=O)CC1=NC=C(Cl)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005906	0	38	-1.0	-48.52	376.81	-1.22	-49.74
C[C@H](CNC(=O)CN1CC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005907	0	47	-1.0	-46.71	397.76	-2.75	-49.46
C[C@H](CNC(=O)CSC1=NN=CN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005908	0	42	-1.0	-53.89	392.70	0.79	-53.10
C[C@H](CNC(=O)C1=CC(N)=C(F)C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005909	0	41	-1.0	-47.68	375.40	-1.58	-49.26
C[C@H](CNC(=O)CCCNS(C)(=O)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005910	0	46	-1.0	-55.70	414.99	-4.99	-60.69
CC1=CC=C(Cl)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005911	0	42	-1.0	-46.60	384.27	1.57	-45.03
C[C@H](CNC(=O)CCN1C=CC=NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005912	0	44	-1.0	-60.81	395.10	-2.02	-62.83
CCC1=CC=C(O)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005913	0	46	-1.0	-47.44	402.06	0.36	-47.08
CC(=O)C1=CC=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025005914	0	47	-1.0	-51.98	415.47	1.47	-50.51
C[C@H](CNC(=O)COC1=CC=CC(C#N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005915	0	44	-1.0	-52.47	404.72	1.35	-51.12
C[C@H](CNC(=O)C1=CC=C(NCCO)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005916	0	48	-1.0	-48.72	417.99	-3.33	-52.05
C[C@H](CNC(=O)C1=CC=C(C(F)(F)F)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005917	0	40	-1.0	-46.30	378.55	-0.89	-47.19
C[C@H](CNC(=O)C1=C(N)N(C(C)(C)C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005918	0	50	-1.0	-49.15	419.18	-0.79	-49.94
C[C@H](CNC(=O)C1=COC2=CC(O)=CC=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005919	0	43	-1.0	-50.68	390.03	-2.14	-52.82
C[C@H](CNC(=O)C(=O)C1=CSC(N)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005920	0	39	-1.0	-49.82	374.92	-3.37	-53.19
C[C@H](CNC(=O)CCCC[NH+]1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005921	0	57	0.0	-68.41	457.08	2.79	-65.62
CCN1C=C([N+](=O)[O-])C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025005922	0	44	-1.0	-53.47	401.06	0.63	-52.84
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(F)=CC([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005924	0	41	-1.0	-47.91	384.94	1.11	-46.80
C[C@H](CNC(=O)C1(N2C=NC=N2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005925	0	42	-1.0	-48.41	381.58	0.75	-47.66
C[C@H](CNC(=O)CCC1=CC=CN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005926	0	46	-1.0	-48.03	401.08	1.26	-46.77
C[C@H](CNC(=O)C1=CC(C#N)=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005927	0	40	-1.0	-51.93	375.72	0.85	-51.08
C[C@H](CNC(=O)C1=CC=C(C#N)N1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005928	0	41	-1.0	-47.36	376.00	0.02	-47.34
C[C@H](CNC(=O)CC1=NC=CC(N)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005929	0	42	-1.0	-52.14	380.12	-3.14	-55.28
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
CO[C@H](C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005931	0	39	-1.0	-48.32	347.45	-1.84	-50.16
CC1=CC(F)=CC(C(C)C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005932	0	48	-1.0	-48.41	418.71	2.34	-46.07
C[C@H](CNC(=O)C1=CC=C2CCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005933	0	43	-1.0	-47.48	378.01	1.75	-45.73
CC1=C(C)NC(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025005934	0	49	0.0	-62.69	420.77	0.09	-62.60
CC1=C(C)[NH+]=C(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025005934	1	49	0.0	-62.69	420.77	0.09	-62.60
C[C@H](CNC(=O)C1(C2CCCO2)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005935	0	53	-1.0	-45.13	427.67	0.81	-44.32
C[C@H](CNC(=O)C(C)(C)N1C=NN=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005936	0	43	-1.0	-56.76	378.55	-1.39	-58.15
C[C@H](CNC(=O)C1CCN2C(=O)NN=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005937	0	46	-1.0	-52.83	400.22	-1.79	-54.62
C[C@H](CNC(=O)C1=COC2=C1C(O)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005938	0	47	-1.0	-51.23	403.62	-0.93	-52.16
C[C@H](CNC(=O)C12CCC(C1)OC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005939	0	44	-1.0	-46.57	375.09	-1.52	-48.09
CCC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C(C)O1	REAL300025005940	0	45	-1.0	-46.02	395.40	0.77	-45.25
C[C@H](CNC(=O)C1CNC(=O)CC12CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005941	0	50	-1.0	-51.48	412.99	-1.66	-53.14
C[C@H](CNC(=O)C1CC12CC(O)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005942	0	44	-1.0	-47.79	384.14	-2.61	-50.40
C[C@H](CNC(=O)C1(C2CC[NH+](C)CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005943	0	55	0.0	-65.25	438.81	2.48	-62.77
C[C@H](CNC(=O)[C@@H]1C[C@H]1C1=NN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005944	0	46	-1.0	-51.78	407.73	0.18	-51.60
C[C@H](CNC(=O)C=CC1=NNC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005945	0	40	-1.0	-49.83	367.21	-1.75	-51.58
CC1=CNC(C=CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025005946	0	43	-1.0	-50.78	389.20	-0.89	-51.67
C[C@H](CNC(=O)C1=CC=CC2=CC=NN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005947	0	42	-1.0	-49.42	375.51	0.46	-48.96
COCC1=NOC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005948	0	42	-1.0	-47.36	383.91	-2.49	-49.85
CC1=CC=CC2=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)NN=C21	REAL300025005949	0	45	-1.0	-49.76	398.83	-0.30	-50.06
C[C@H](CNC(=O)C1=CON=C1C1(C)COC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005950	0	46	-1.0	-48.27	403.53	-1.80	-50.07
CC1=C2C=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=N1	REAL300025005951	0	46	0.0	-67.62	402.88	2.87	-64.75
CC1=C2C=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2C=[NH+]1	REAL300025005951	1	46	0.0	-67.62	402.88	2.87	-64.75
C[C@H](CNC(=O)C1(C)CC2=CC=CC=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005952	0	49	-1.0	-46.49	416.13	2.63	-43.86
C[C@H](CNC(=O)C#CC1(C)CCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005953	0	45	-1.0	-48.08	399.07	-0.42	-48.50
C[C@H](CNC(=O)C1(F)CCC(F)(F)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005954	0	45	-1.0	-45.75	392.55	0.70	-45.05
CC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(F)F	REAL300025005955	0	41	-1.0	-47.38	364.58	-0.33	-47.71
C[C@H](CNC(=O)C1CC(C(C)(C)C)=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005956	0	49	-1.0	-51.20	420.61	0.62	-50.58
CC1=CC(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NN1C	REAL300025005957	0	48	-1.0	-50.09	418.66	0.03	-50.06
C[C@H](CNC(=O)CN1N=NC(C2CC2)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005958	0	44	-1.0	-53.99	398.70	-1.38	-55.37
C[C@H](CNC(=O)C1=CN=C2NCCOC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005959	0	45	-1.0	-50.53	394.14	-2.51	-53.04
C[C@H](CNC(=O)C[C@@H]1CCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005960	0	46	-1.0	-47.47	389.81	-2.65	-50.12
CCCC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C(C)O1	REAL300025005961	0	48	-1.0	-45.81	416.90	1.55	-44.26
C[C@H](CNC(=O)CSCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005962	0	48	0.0	-71.98	417.43	0.75	-71.23
C[C@H](CNC(=O)[C@H]1CC[C@@H](N=[N+]=[N-])CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005963	0	47	-1.0	-48.12	403.19	-2.53	-50.65
C[C@H](CNC(=O)C1=CC2=CC(N)=CC=C2N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005964	0	45	-1.0	-48.12	399.29	-1.81	-49.93
COC(=O)[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005965	0	48	-1.0	-50.91	409.29	0.63	-50.28
C[C@H](CNC(=O)C(=O)NC1=NC=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005966	0	40	-1.0	-48.23	366.50	-1.95	-50.18
C[C@H](CNC(=O)[C@H](C)C1=CC=CC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005967	0	45	-1.0	-46.39	407.61	2.11	-44.28
C[C@H](CNC(=O)C1C(F)(F)C12CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005968	0	40	-1.0	-47.28	370.91	0.48	-46.80
C[C@H](CNC(=O)C(C#N)=CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005969	0	44	-1.0	-49.73	401.45	1.67	-48.06
C[C@H](CNC(=O)C1=CNC(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005970	0	39	-1.0	-53.48	357.85	-5.09	-58.57
COC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300025005971	0	46	-1.0	-47.71	407.30	1.21	-46.50
C[C@H](CNC(=O)C1=COC(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005972	0	38	-1.0	-50.63	351.27	-0.47	-51.10
C[C@H](CNC(=O)C1=CC=C([N+](=O)[O-])O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005973	0	38	-1.0	-50.17	365.02	-0.95	-51.12
CCOC(=O)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005974	0	44	-1.0	-47.85	392.27	-0.20	-48.05
CC(=O)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005975	0	40	-1.0	-48.16	359.53	-1.24	-49.40
CON=CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025005976	0	46	-1.0	-48.87	413.77	0.49	-48.38
CCCCCC(O)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005977	0	51	-1.0	-48.24	431.61	-0.42	-48.66
C[C@H](CNC(=O)C1=CNN=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005978	0	38	-1.0	-55.89	356.01	-0.59	-56.48
CSCCCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005979	0	45	-1.0	-46.79	402.68	0.87	-45.92
CC1=NC(=O)NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005980	0	41	-1.0	-56.31	372.10	-4.15	-60.46
C[C@H](CNC(=O)CC1(O)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005981	0	46	-1.0	-45.70	384.60	-1.32	-47.02
C[C@H](CNC(=O)C1CCCC1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005982	0	43	-1.0	-48.10	368.30	-3.26	-51.36
C[C@H](CNC(=O)CC1(O)CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005983	0	49	-1.0	-47.62	401.81	-0.69	-48.31
C[C@H](CNC(=O)C1=CC(F)=CN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005984	0	38	-1.0	-46.83	364.41	-0.88	-47.71
CC1=CC(Cl)=C(N)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025005985	0	44	-1.0	-44.76	396.79	-0.17	-44.93
CC(C)C1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025005986	0	45	-1.0	-47.12	394.71	-1.02	-48.14
CCC1=NC(C)=NC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005987	0	46	-1.0	-46.97	397.37	-0.28	-47.25
C[C@H](CNC(=O)CNC1=CC=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005988	0	44	-1.0	-47.53	394.25	-0.58	-48.11
CC1=C(C)C(C)=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025005989	0	46	-1.0	-46.97	394.97	-0.02	-46.99
C[C@H](CNC(=O)C[N@@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005990	0	49	0.0	-65.41	405.38	-2.65	-68.06
C[C@H](CNC(=O)C[N@H+]1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005990	1	48	-1.0	-49.20	402.57	-4.93	-54.13
C[C@H](CNC(=O)CN1CCCC1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005990	1	48	-1.0	-49.20	402.57	-4.93	-54.13
C[C@H](CNC(=O)[C@@H](C)O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005991	0	36	-1.0	-46.86	325.75	-4.05	-50.91
C[C@H](CNC(=O)C1=NN2C=CC=CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005992	0	42	-1.0	-51.17	381.64	0.04	-51.13
CCCCSCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005993	0	48	-1.0	-45.72	424.14	1.79	-43.93
CC[NH+](CC)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005994	0	47	0.0	-65.50	382.12	-0.12	-65.62
CC1=NC(SCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NN1	REAL300025005995	0	42	-1.0	-52.86	392.74	-1.01	-53.87
CC1=NN=C(SCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025005995	1	42	-1.0	-49.07	393.19	-1.33	-50.40
CC1=NNC(SCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025005995	1	42	-1.0	-49.07	393.19	-1.33	-50.40
C[C@H](CNC(=O)C=C1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005996	0	49	-1.0	-44.93	406.42	1.81	-43.12
CC(OC1CCCC1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005997	0	49	-1.0	-47.92	410.26	1.10	-46.82
CNC1=NC=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005998	0	43	-1.0	-47.19	377.10	-1.08	-48.27
CCC1=C(C)SC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005999	0	45	-1.0	-45.99	398.71	1.42	-44.57
CC1=CC=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025006000	0	41	-1.0	-47.42	369.04	-0.66	-48.08
CC(OCC1=CC=CC=C1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006001	0	49	-1.0	-49.79	429.22	2.15	-47.64
CCOC=C(C#N)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006002	0	41	-1.0	-52.12	380.59	-1.22	-53.34
C[C@H](CNC(=O)CCC(C)(C)C#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006003	0	45	-1.0	-51.26	390.96	0.16	-51.10
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)C[N@H+](C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006005	0	49	0.0	-72.74	409.74	1.05	-71.69
C[C@H](CNC(=O)C[N@@H+](C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006005	1	48	-1.0	-46.93	407.78	-1.15	-48.08
C[C@H](CNC(=O)CN(C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006005	1	48	-1.0	-46.93	407.78	-1.15	-48.08
C[C@H](CNC(=O)C1=CC=C(N)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006006	0	40	-1.0	-48.37	362.56	-3.45	-51.82
C[C@H](CNC(=O)CN1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006007	0	42	0.0	-67.20	360.63	-0.77	-67.97
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C[C@H](CNC(=O)C1(O)CCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006022	0	41	-1.0	-47.70	357.15	-5.67	-53.37
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C[C@H](CNC(=O)C1=NOC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006028	0	35	-1.0	-45.35	346.12	-1.74	-47.09
C[C@H](CNC(=O)C1SCCCS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006029	0	41	-1.0	-47.28	375.60	0.38	-46.90
C[C@H](CNC(=O)C1CC12CCSCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006030	0	47	-1.0	-45.33	401.13	1.68	-43.65
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C[C@H](CNC(=O)CC1CC=CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006034	0	43	-1.0	-46.08	370.99	0.60	-45.48
C[C@H](CNC(=O)C1=C(C2=COC=C2)ON=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006035	0	42	-1.0	-49.20	386.87	-0.41	-49.61
C[C@H](CNC(=O)C1=CC=C(C2CC2)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006036	0	43	-1.0	-46.32	387.97	0.81	-45.51
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C[C@H](CNC(=O)CC1=CC=CC=C1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006038	0	46	-1.0	-49.84	401.98	-1.57	-51.41
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C[C@H](CNC(=O)C1=CC=CC(Cl)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006059	0	38	-1.0	-48.16	364.42	-0.90	-49.06
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CC1=CC=CC([N+](=O)[O-])=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006062	0	44	-1.0	-52.78	398.38	1.69	-51.09
C[C@H](CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006063	0	41	-1.0	-50.64	378.53	1.04	-49.60
CC[NH+](CC)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006064	0	50	0.0	-67.27	408.48	0.71	-66.56
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CN=C1F	REAL300025010075	0	38	-1.0	-49.31	361.57	-1.53	-50.84
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(Cl)C(F)=C1	REAL300025010076	0	38	-1.0	-47.32	368.05	-0.90	-48.22
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)C1CCOCC1	REAL300025010083	0	47	-1.0	-47.92	394.52	-3.04	-50.96
CC[N@@H+]1CCCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025010084	0	51	0.0	-63.20	406.51	1.30	-61.90
CC[N@H+]1CCCC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025010084	1	51	0.0	-63.20	406.51	1.30	-61.90
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CC(CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025010086	0	50	0.0	-72.49	407.65	0.79	-71.70
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C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC1=CC=C(Cl)N=C1	REAL300025010089	0	42	-1.0	-49.27	396.61	0.25	-49.02
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC2=CC=CC=C21	REAL300025010090	0	46	-1.0	-46.63	392.61	2.38	-44.25
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC1=CC=C(C(N)=O)O1	REAL300025010091	0	44	-1.0	-50.44	407.43	-3.32	-53.76
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC2=C1COC2	REAL300025010092	0	44	-1.0	-48.59	383.81	-0.30	-48.89
CC1=CN2CC(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)CCC2=N1	REAL300025010093	0	49	-1.0	-50.58	416.94	1.12	-49.46
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(CC2CC2)C=C1	REAL300025010094	0	49	-1.0	-46.73	424.82	3.40	-43.33
CC1=CC(Cl)=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025010095	0	39	-1.0	-46.84	377.99	0.72	-46.12
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC=C(C(F)F)S1	REAL300025010096	0	38	-1.0	-46.94	372.54	-1.45	-48.39
CC1=NN(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300025010097	0	40	-1.0	-55.04	367.26	-2.88	-57.92
CC(C)N1C=NC=C1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010098	0	45	-1.0	-48.60	391.19	0.82	-47.78
CC1=CN2C=C(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)C=CC2=N1	REAL300025010099	0	45	-1.0	-50.90	398.57	1.57	-49.33
CC1=NN=C2CCC(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)N12	REAL300025010100	0	45	-1.0	-55.09	389.41	0.72	-54.37
CC[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010101	0	44	0.0	-68.35	368.26	-0.53	-68.88
CC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010101	1	43	-1.0	-46.57	366.42	-2.79	-49.36
CCN(C)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010101	1	43	-1.0	-46.57	366.42	-2.79	-49.36
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=NNC(=O)N2C=C1	REAL300025010102	0	42	-1.0	-52.10	382.67	-1.32	-53.42
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCCC(F)(F)CC1	REAL300025010103	0	48	-1.0	-48.20	399.76	1.30	-46.90
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CN2C=NN=C12	REAL300025010104	0	41	-1.0	-56.00	370.82	2.01	-53.99
COC1CC(CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025010105	0	52	-1.0	-48.26	431.27	0.28	-47.98
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C1=NNC=N1	REAL300025010106	0	44	-1.0	-58.00	383.74	-0.22	-58.22
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C1=NN=CN1	REAL300025010106	1	44	-1.0	-58.00	383.74	-0.22	-58.22
CC1=CC2=C(OCC2)C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025010107	0	47	-1.0	-50.81	406.67	1.84	-48.97
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC=C1C1CCC1	REAL300025010108	0	46	-1.0	-48.60	397.63	-0.48	-49.08
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2C1C2(F)F	REAL300025010109	0	43	-1.0	-47.03	380.20	0.81	-46.22
CC1=NN(C2CCC2)C=C1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010110	0	49	-1.0	-49.26	418.78	0.73	-48.53
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(F)OC(F)(F)F	REAL300025010111	0	36	-1.0	-48.28	350.88	-2.51	-50.79
C=C1CC2(C1)CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025010112	0	47	-1.0	-46.07	404.08	1.76	-44.31
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CCN2C=NC=C2C1	REAL300025010113	0	49	-1.0	-53.66	413.56	1.99	-51.67
CC1=NC=C(C=CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025010114	0	45	-1.0	-53.24	403.44	-1.50	-54.74
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(F)(F)C1=CN=NN1C	REAL300025010115	0	41	-1.0	-49.65	379.56	-2.54	-52.19
COC1=NNC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1Cl	REAL300025010116	0	40	-1.0	-49.00	380.38	-4.81	-53.81
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=CC=CC=C2C1	REAL300025010117	0	44	-1.0	-47.72	390.89	2.13	-45.59
COC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CN=C1	REAL300025010118	0	45	-1.0	-50.88	401.73	-0.57	-51.45
CCC1(C#CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)COC1	REAL300025010119	0	45	-1.0	-48.69	401.02	-0.79	-49.48
COC1=CC=C(C)N=C1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010120	0	45	-1.0	-49.96	396.66	-0.16	-50.12
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[C@@H]2CCCC[C@H]12	REAL300025010121	0	47	-1.0	-45.92	397.12	1.73	-44.19
CC(C)C1=CNN=C1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010122	0	45	-1.0	-48.45	392.45	-1.13	-49.58
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1C[C@H]1C1=NN=CN1	REAL300025010123	0	42	-1.0	-52.16	380.97	-0.28	-52.44
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1C[C@H]1C1=NNC=N1	REAL300025010123	1	42	-1.0	-52.16	380.97	-0.28	-52.44
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(C2CCC2)ON=C1	REAL300025010124	0	45	-1.0	-46.77	395.01	0.75	-46.02
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC(C)(C)F	REAL300025010125	0	44	-1.0	-47.08	380.48	0.17	-46.91
COC1CC2(C1)CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025010126	0	50	-1.0	-47.22	423.97	0.20	-47.02
CC1=NC=CC=C1C=CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010127	0	45	-1.0	-49.00	397.59	0.33	-48.67
CC1=CC=C(C=CCC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025010128	0	49	-1.0	-48.60	427.40	3.06	-45.54
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CCCC2	REAL300025010129	0	52	0.0	-62.93	404.23	1.36	-61.57
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CCCC2	REAL300025010129	1	52	0.0	-62.93	404.23	1.36	-61.57
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC(C(F)F)C1	REAL300025010130	0	45	-1.0	-47.05	394.55	1.00	-46.05
CC1=C(C(N)=O)C=CC=C1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010131	0	46	-1.0	-53.89	395.02	-2.13	-56.02
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C2C=CNC2=CN=C1	REAL300025010132	0	42	-1.0	-51.89	374.14	-1.37	-53.26
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL300025010133	0	44	-1.0	-49.18	387.41	-0.52	-49.70
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C2C[C@H]3C[C@H]3C2=NN1	REAL300025010133	1	44	-1.0	-49.18	387.41	-0.52	-49.70
CC1=CC=CC([C@@H](C)C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025010134	0	48	-1.0	-47.61	412.30	2.30	-45.31
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=C(C=CS2)N1C	REAL300025010135	0	43	-1.0	-47.80	392.40	1.02	-46.78
CC1=NN(C(C)C)C(C)=C1C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010136	0	51	-1.0	-50.44	440.19	0.68	-49.76
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C2SN=CC2=CC=C1	REAL300025010137	0	41	-1.0	-53.54	380.32	0.58	-52.96
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@@H+]1CC=CC2	REAL300025010138	0	50	0.0	-66.70	397.17	1.32	-65.38
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCC[N@H+]1CC=CC2	REAL300025010138	1	50	0.0	-66.70	397.17	1.32	-65.38
CC(C)C(C)C(C)CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010139	0	53	-1.0	-45.44	420.18	1.58	-43.86
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)C1=CC=NN1C	REAL300025010140	0	43	-1.0	-49.73	381.86	-3.37	-53.10
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CNC2=NC=NN2C1=O	REAL300025010141	0	41	-1.0	-57.78	374.97	0.65	-57.13
CC[C@H](CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025010142	0	50	-1.0	-45.26	398.23	1.01	-44.25
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2(C1)CCCO2	REAL300025010143	0	47	-1.0	-48.97	397.58	-0.59	-49.56
CCC=CC=CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010144	0	43	-1.0	-46.18	384.78	0.88	-45.30
CCC1=NOC(CCC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025010145	0	46	-1.0	-49.08	409.42	-1.92	-51.00
CC1=NN(C)C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1[N+](=O)[O-]	REAL300025010146	0	44	-1.0	-50.22	408.44	-0.64	-50.86
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CCC(C)C1	REAL300025010147	0	46	-1.0	-45.71	391.27	1.33	-44.38
CC(OC1CCCCC1)C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025010148	0	52	-1.0	-48.62	427.37	1.72	-46.90
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C=C1[N+](=O)[O-]	REAL300025010149	0	41	-1.0	-53.80	383.46	1.81	-51.99
C[C@@H](CNC(=O)C12CC(CO1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016022	0	47	-1.0	-46.35	383.62	-0.74	-47.09
C[C@@H](CNC(=O)C1CC(=O)CC12CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016023	0	48	-1.0	-50.80	405.24	0.81	-49.99
COCC1=NOC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025016024	0	41	-1.0	-50.01	379.54	-5.18	-55.19
C[C@@H](CNC(=O)CC1CC(O)C12CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016025	0	50	-1.0	-46.66	416.66	-1.53	-48.19
C[C@@H](CNC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016026	0	42	-1.0	-47.45	384.06	-3.33	-50.78
C[C@@H](CNC(=O)C1CCC2CCC(=O)N21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016027	0	47	-1.0	-56.32	400.63	-0.89	-57.21
C[C@@H](CNC(=O)C(F)C1=CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016028	0	46	-1.0	-46.60	393.14	1.32	-45.28
C[C@@H](CNC(=O)C1(N2C=CC=C2)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016029	0	50	-1.0	-45.88	414.48	2.60	-43.28
C[C@@H](CNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016030	0	52	0.0	-69.30	427.73	1.03	-68.27
C[C@@H](CNC(=O)[C@@H](C)C1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016031	0	45	-1.0	-47.04	397.28	1.67	-45.37
C[C@@H](CNC(=O)C1CC2(CC(F)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016032	0	46	-1.0	-46.59	397.15	1.31	-45.28
CCN1N=CN=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016033	0	41	-1.0	-47.27	368.22	-0.33	-47.60
CC1=CC(N)=C(C)N=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016034	0	46	-1.0	-47.97	396.62	-2.06	-50.03
C[C@@H](CNC(=O)C(O)CC1=CN(C)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016035	0	46	-1.0	-52.21	408.53	-0.99	-53.20
C[C@@H](CNC(=O)C12CCCC1C2(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016036	0	43	-1.0	-46.70	381.11	0.76	-45.94
CCOC1(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025016037	0	49	-1.0	-47.43	401.84	0.84	-46.59
C[C@@H](CNC(=O)C1CCOC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016038	0	49	-1.0	-46.39	401.97	-0.63	-47.02
C[C@@H](CNC(=O)C(F)(F)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016039	0	39	-1.0	-45.09	355.80	-0.25	-45.34
CC(=O)OC1(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025016040	0	42	-1.0	-49.74	381.84	-0.45	-50.19
CCOC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=C(C)O1	REAL300025016041	0	45	-1.0	-49.46	405.29	-2.50	-51.96
CCCCC[C@H](O)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016042	0	51	-1.0	-48.26	431.62	-0.42	-48.68
C[C@@H](CNC(=O)C1=CN=C2CCCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016043	0	48	-1.0	-47.89	408.32	1.06	-46.83
CC(=O)OC(C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300025016044	0	41	-1.0	-49.24	384.66	0.22	-49.02
C[C@@H](CNC(=O)COCCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016045	0	40	-1.0	-51.89	360.89	-4.73	-56.62
CC(=O)C1=CN(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300025016046	0	43	-1.0	-55.29	394.96	-2.41	-57.70
C[C@@H](CNC(=O)C1=NOC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016047	0	43	-1.0	-47.64	380.71	-1.69	-49.33
C[C@@H](CNC(=O)C1=NC=C(F)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016048	0	37	-1.0	-47.82	349.59	-2.07	-49.89
C[C@@H](CNC(=O)C(C)(C)CF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016049	0	41	-1.0	-44.97	358.38	-0.61	-45.58
CC(C)[C@@H](O)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016050	0	45	-1.0	-48.10	381.55	-2.03	-50.13
C[C@@H](CNC(=O)C1=CN=C2SC=CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016051	0	41	-1.0	-49.44	382.28	-0.15	-49.59
C[C@@H](CNC(=O)C1=C([N+](=O)[O-])C=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016052	0	38	-1.0	-50.80	355.91	-1.50	-52.30
C[C@@H](CNC(=O)C1=NNC=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016052	1	38	-1.0	-53.95	356.95	-1.55	-55.50
C[C@@H](CNC(=O)C1=CC=C(F)C(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016053	0	40	-1.0	-48.26	367.56	-2.40	-50.66
C[C@@H](CNC(=O)C1=CC=C(F)C([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016053	1	39	-2.0	-96.85	363.99	-1.65	-98.50
C[C@@H](CNC(=O)C1CC(=O)N(C2CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016054	0	47	-1.0	-50.87	404.14	-0.43	-51.30
C=CCNC1=NC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300025016055	0	44	-1.0	-46.18	409.55	-1.19	-47.37
C[C@@H](CNC(=O)C(C)(C)CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016056	0	42	-1.0	-46.11	362.73	-3.90	-50.01
C[C@@H](CNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016057	0	41	0.0	-63.83	377.61	-1.02	-64.85
C[C@@H](CNC(=O)CC1=CC=C2OCOC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016058	0	45	-1.0	-51.34	401.02	-0.27	-51.61
C[C@@H](CNC(=O)CN1CSCC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016059	0	41	-1.0	-52.20	379.24	-1.56	-53.76
C[C@@H](CNC(=O)C1=CC=CC(CO)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016060	0	43	-1.0	-49.07	383.15	-2.30	-51.37
C=CCC(C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016061	0	42	-1.0	-45.33	367.12	-0.02	-45.35
CC1=CC=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300025016062	0	44	-1.0	-45.79	378.03	-0.64	-46.43
C[C@@H](CNC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016063	0	41	-2.0	-91.76	383.77	0.60	-91.16
C[C@@H](CNC(=O)C1=CC=C2NCCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016064	0	48	-1.0	-47.73	408.16	0.38	-47.35
CSCC1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025016065	0	43	-1.0	-47.67	401.20	0.44	-47.23
C[C@@H](CNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016066	0	41	-2.0	-88.57	383.78	0.60	-87.97
CC1=CC=CC(N)=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016067	0	44	-1.0	-47.07	386.94	-1.34	-48.41
C[C@@H](CNC(=O)C(F)(F)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016068	0	35	-1.0	-44.66	344.44	-1.33	-45.99
C[C@@H](C[N-]C(=O)C(F)(F)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016068	1	34	-2.0	-80.25	342.50	-2.95	-83.20
CCSC1=CC=CC=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016069	0	46	-1.0	-47.71	407.52	2.23	-45.48
COC1=CC=C(O)C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025016070	0	44	-1.0	-49.06	388.63	-1.78	-50.84
CC1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1C	REAL300025016071	0	46	-1.0	-48.07	396.19	0.17	-47.90
CC(NC(=O)C1=CC=CO1)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016072	0	46	-1.0	-50.69	413.09	-2.28	-52.97
C[C@@H](CNC(=O)C(CO)NC(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016073	0	42	-1.0	-51.39	377.01	-9.48	-60.87
C[C@@H](CNC(=O)C1=CC=C(O)C=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016074	0	41	-1.0	-49.29	370.14	-3.91	-53.20
C[C@@H](CNC(=O)CSC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016075	0	43	-1.0	-48.23	393.48	1.52	-46.71
C[C@@H](CNC(=O)C1CC1(Cl)Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016076	0	36	-1.0	-46.04	358.47	-0.12	-46.16
C[C@@H](CNC(=O)CSC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016077	0	45	-1.0	-47.18	394.34	0.50	-46.68
C[C@@H](CNC(=O)C1=CC=C(Cl)C=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016078	0	40	-1.0	-47.23	375.89	-0.56	-47.79
C[C@@H](CNC(=O)C1=CC=C(Cl)C=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016078	1	39	-2.0	-94.60	372.33	0.45	-94.15
C[C@@H](CNC(=O)C1CCC(C)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016079	0	43	-1.0	-46.92	380.58	0.44	-46.48
C[C@@H](CNC(=O)CSC1=CC=CC=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016080	0	44	-1.0	-50.18	403.70	-1.28	-51.46
C[C@@H](CNC(=O)CC1=CC=CC=C1CC#N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016081	0	46	-1.0	-50.87	411.47	1.94	-48.93
C[C@@H](CNC(=O)C(C)(O)C1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016082	0	46	-1.0	-46.91	404.30	-1.33	-48.24
C[C@@H](CNC(=O)C1(O)CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016083	0	41	-1.0	-47.43	365.65	-3.31	-50.74
CC(=O)C1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300025016084	0	44	-1.0	-52.77	396.09	0.86	-51.91
C[C@@H](CNC(=O)C[C@H](O)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016085	0	46	-1.0	-48.99	403.06	-0.38	-49.37
C[C@@H](CNC(=O)C1(C)COC(=O)OC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016086	0	43	-1.0	-53.69	377.70	-0.60	-54.29
CSC1=CC=CC=C1CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016087	0	46	-1.0	-48.35	412.42	1.97	-46.38
COC1=CC=C(F)C(N)=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016088	0	45	-1.0	-48.01	402.06	-2.44	-50.45
C[C@@H](CNC(=O)C(O)C1=CC=CC(N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016089	0	45	-1.0	-45.44	398.15	-3.01	-48.45
C[C@@H](CNC(=O)C=CC1=CC=C(O)C(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016090	0	45	-1.0	-50.72	406.60	-3.33	-54.05
CC1=CC(C)=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(N)=C1	REAL300025016091	0	47	-1.0	-47.07	408.32	-0.67	-47.74
CNC(=O)N1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016092	0	48	-1.0	-55.42	411.41	-2.42	-57.84
C[C@@H](CNC(=O)C1=CC(O)=CC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016093	0	40	-1.0	-53.39	365.82	-5.44	-58.83
C[C@@H](CNC(=O)C1=CC2=NSN=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016094	0	40	-1.0	-49.17	374.43	-1.28	-50.45
C[C@@H](CNC(=O)CC(O)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016095	0	46	-1.0	-48.98	403.06	-0.39	-49.37
C[C@@H](CNC(=O)CN1C=NC(C#N)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016096	0	39	-1.0	-57.48	371.25	-0.64	-58.12
C[C@@H](CNC(=O)C1CCC(=O)C(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016097	0	47	-1.0	-49.80	398.44	0.41	-49.39
C[C@@H](CNC(=O)C1(O)CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016098	0	49	-1.0	-45.88	393.69	-1.60	-47.48
C[C@@H](CNC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016099	0	41	-2.0	-88.58	385.97	-1.06	-89.64
C[C@@H](CNC(=O)C1=CC(O)=CC([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016099	1	42	-1.0	-50.19	389.54	-1.81	-52.00
C[C@@H](CNC(=O)C1=CC=NC(Cl)=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016100	0	40	-1.0	-46.74	370.55	-2.69	-49.43
COC(=O)C1=CC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025016101	0	42	-1.0	-47.30	391.53	-0.78	-48.08
CNC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016102	0	48	-1.0	-55.24	411.36	-2.41	-57.65
CC1=NC(N)=C(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025016103	0	46	-1.0	-57.18	406.72	-3.38	-60.56
C[C@@H](CNC(=O)C(CC#N)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016104	0	46	-1.0	-51.93	410.66	2.01	-49.92
C[C@@H](CNC(=O)C1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016105	0	45	-1.0	-45.13	374.02	0.55	-44.58
C[C@@H](CNC(=O)C1(O)CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016106	0	49	-1.0	-46.01	404.06	-1.69	-47.70
C[C@@H](CNC(=O)C1(C)CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016107	0	48	-1.0	-45.23	397.23	1.14	-44.09
CC1=CC(O)=CC=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016108	0	43	-1.0	-47.20	377.36	-1.77	-48.97
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)SC2=CN=CN21	REAL300025016109	0	42	-1.0	-48.04	386.71	1.45	-46.59
C[C@@H](CNC(=O)C1(O)CCC(C)(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016110	0	52	-1.0	-45.98	417.19	-1.38	-47.36
C[C@@H](CNC(=O)CC1=CC=C(O)C(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016111	0	44	-1.0	-52.34	396.74	-3.87	-56.21
C[C@@H](CNC(=O)C1=CC(O)=CC(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016112	0	41	-1.0	-48.98	372.38	-5.33	-54.31
C[C@@H](CNC(=O)C1=CC(O)=C(F)C=C1N)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016113	0	42	-1.0	-47.46	377.35	-4.20	-51.66
C[C@@H](CNC(=O)CCC(=O)C1=CC=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016114	0	45	-1.0	-49.56	402.82	-0.53	-50.09
CCOC(=O)C(CC)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016115	0	47	-1.0	-50.86	405.10	1.40	-49.46
C[C@@H](CNC(=O)C(=O)C1=CN=CN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016116	0	41	-1.0	-49.35	370.41	-0.66	-50.01
CC1=C(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)SC=C1	REAL300025016117	0	42	-1.0	-47.37	384.34	0.76	-46.61
C[C@@H](CNC(=O)C(F)(F)CC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016118	0	45	-1.0	-46.14	406.60	1.98	-44.16
CNC1=NC(C)=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025016119	0	45	-1.0	-46.80	401.39	-0.44	-47.24
CC1=CC(Cl)=NC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025016120	0	41	-1.0	-47.50	385.92	-0.23	-47.73
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C(C#N)O1	REAL300025016121	0	40	-1.0	-48.01	372.52	-0.31	-48.32
CCC(C)CCC(O)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016122	0	54	-1.0	-48.20	445.91	-0.04	-48.24
C[C@@H](CNC(=O)C1=CN2N=CN=C2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016123	0	40	-1.0	-53.18	367.23	1.39	-51.79
C[C@@H](CNC(=O)C1CC2=CSC=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016124	0	43	-1.0	-46.39	387.43	1.07	-45.32
CCNC1=CN=CC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025016125	0	46	-1.0	-47.81	401.91	-1.80	-49.61
CCOC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=CS1	REAL300025016126	0	43	-1.0	-49.29	393.37	0.70	-48.59
C[C@@H](CNC(=O)C1C2C3CC1CC32)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016127	0	44	-1.0	-45.69	372.52	1.01	-44.68
C[C@@H](CNC(=O)C1=NC=CC=C1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016128	0	50	-1.0	-46.21	407.99	0.81	-45.40
CC1=C(C2CC2)ON=C1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016129	0	45	-1.0	-47.72	400.23	0.67	-47.05
C[C@@H](CNC(=O)C1=NC=C([N+](=O)[O-])N1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016130	0	41	-1.0	-46.49	377.81	0.31	-46.18
C[C@@H](CNC(=O)[C@@H](O)C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016131	0	46	-1.0	-45.76	386.24	-1.14	-46.90
C[C@@H](CNC(=O)C1CCCC(C)(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016132	0	54	-1.0	-44.69	416.68	1.91	-42.78
COC(=O)[C@@H]1[C@H](C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1(C)C	REAL300025016133	0	48	-1.0	-49.82	411.92	0.64	-49.18
COCC(C)(O)CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016134	0	46	-1.0	-50.16	394.24	-3.44	-53.60
C[C@@H](CNC(=O)C1(O)CCCC(C)(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016135	0	55	-1.0	-45.82	429.34	-0.38	-46.20
C[C@@H](CNC(=O)[C@H]1C[C@]1(C)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016136	0	42	-1.0	-45.48	378.23	0.38	-45.10
CC(CC1=CC=NC=C1)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016137	0	47	-1.0	-47.48	406.72	0.58	-46.90
COC1CC(CCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025016138	0	49	-1.0	-47.56	418.14	-0.12	-47.68
C[C@@H](CNC(=O)C1=CN=C2COCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016139	0	46	-1.0	-48.41	399.29	-1.36	-49.77
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C(C)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016140	0	42	-1.0	-46.65	378.94	0.39	-46.26
C[C@@H](CNC(=O)C1=NN=C2C=CC=CN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016141	0	41	-1.0	-54.78	372.78	0.65	-54.13
C[C@@H](CNC(=O)C1=CC(C#N)=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016142	0	39	-1.0	-48.35	368.45	-0.94	-49.29
C[C@@H](CNC(=O)C1=C2C(N)=NC=CN2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016144	0	43	-1.0	-49.58	382.25	-2.47	-52.05
C[C@@H](OCC[NH+](C)C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016145	0	51	0.0	-66.59	426.18	0.55	-66.04
C[C@@H](CNC(=O)C1=CC=C2OC(=O)OC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016146	0	41	-1.0	-49.70	378.06	0.94	-48.76
C[C@@H](CNC(=O)C1CC2(CO1)CCOCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016147	0	51	-1.0	-48.77	419.61	-0.86	-49.63
CNC(=O)NC(C)C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016148	0	44	-1.0	-50.71	388.03	-4.73	-55.44
C[C@@H](CNC(=O)C12COC(C1)CCO2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016149	0	45	-1.0	-48.01	376.03	-2.31	-50.32
CCCCCC(=O)NCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198702	0	51	-1.0	-49.19	438.41	-1.09	-50.28
C[C@H](CNC(=O)C1CC1(F)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198703	0	46	-1.0	-46.23	402.41	2.27	-43.96
C[C@H](CNC(=O)C1=C(F)C=C(F)N=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198704	0	38	-1.0	-46.99	367.99	-1.60	-48.59
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=NC=CC=C1F	REAL300025198705	0	44	-1.0	-49.59	393.00	0.02	-49.57
CCC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=CS1	REAL300025198706	0	42	-1.0	-45.42	379.99	0.85	-44.57
C[C@H](CNC(=O)CC(C)(C)C(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198707	0	44	-1.0	-46.57	378.13	0.14	-46.43
C[C@H](CNC(=O)C(F)=CC1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198708	0	49	-1.0	-44.79	416.23	2.02	-42.77
CC1=CC=CN=C1C(O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198709	0	45	-1.0	-48.38	395.23	-2.17	-50.55
C[C@H](CNC(=O)C1=CC=NN1CC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198710	0	46	-1.0	-46.76	403.66	0.54	-46.22
CCC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300025198711	0	45	-1.0	-48.35	397.77	1.90	-46.45
C[C@H](CNC(=O)C1=CC=C2CCCCC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198712	0	48	-1.0	-47.13	410.52	1.12	-46.01
CC(=O)N[C@H]1CC[C@H](C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198713	0	52	-1.0	-52.49	436.06	-1.04	-53.53
CC1=NN(C)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025198714	0	41	-1.0	-47.60	368.40	-1.32	-48.92
COC1=CC=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300025198715	0	42	-1.0	-51.16	381.71	-1.92	-53.08
C[C@H](CNC(=O)C1(C2CCCO2)CCCO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198716	0	51	-1.0	-46.24	416.55	-0.11	-46.35
C[C@H](CNC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198717	0	49	-1.0	-45.76	403.42	1.66	-44.10
C[C@H](CNC(=O)C1=CC(C(N)=O)=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198718	0	40	-1.0	-51.04	370.66	-6.50	-57.54
C[C@H](CNC(=O)C1=NNC(C(N)=O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198718	1	40	-1.0	-52.12	370.66	-6.50	-58.62
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1CCC1	REAL300025198719	0	44	-1.0	-46.55	374.55	-3.28	-49.83
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025198719	1	45	0.0	-64.77	378.68	-0.14	-64.91
C[C@H](CNC(=O)C1=CC(=O)N(CCO)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198720	0	46	-1.0	-58.33	406.35	-2.57	-60.90
C[C@H](CNC(=O)[C@H](O)CC1=CNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198721	0	43	-1.0	-51.21	384.73	-2.48	-53.69
C[C@H](CNC(=O)[C@H](O)CC1=CN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198721	1	43	-1.0	-53.04	385.94	-2.72	-55.76
C[C@H](CNC(=O)C#CC1CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198722	0	47	-1.0	-46.32	405.97	2.00	-44.32
C[C@H](CNC(=O)C1=CC=CC2=C1CNC2=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198723	0	44	-1.0	-50.40	391.03	-2.19	-52.59
C[C@H](CNC(=O)C1=CN(CCO)C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198724	0	46	-1.0	-51.98	407.33	-3.19	-55.17
COC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC(F)(F)C1	REAL300025198725	0	46	-1.0	-48.44	406.97	0.58	-47.86
C[C@H](CNC(=O)C1CC2(C1)CCOC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198726	0	47	-1.0	-46.69	396.91	-0.82	-47.51
CCC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025198727	0	53	0.0	-69.36	421.56	1.29	-68.07
CC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NNC1=O	REAL300025198728	0	41	-1.0	-48.55	372.23	-3.44	-51.99
C[C@H](CNC(=O)[C@H]1CC1(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198729	0	36	-1.0	-47.51	338.47	-0.98	-48.49
CC(C)C1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N(C)N=C1	REAL300025198730	0	48	-1.0	-47.90	418.53	0.00	-47.90
CCCCC1=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300025198731	0	47	-1.0	-47.15	424.01	0.41	-46.74
COCC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=CCC1	REAL300025198732	0	47	-1.0	-44.83	398.92	-0.02	-44.85
C[C@H](CNC(=O)CC1=CNN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198733	0	39	-1.0	-50.63	354.81	-2.45	-53.08
COCC1(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025198734	0	52	-1.0	-44.99	424.57	0.30	-44.69
C[C@H](CNC(=O)C(C)(C)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198735	0	50	0.0	-67.01	400.37	0.54	-66.47
C[C@H](CNC(=O)CON=C1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198736	0	52	-1.0	-49.72	433.83	1.75	-47.97
C[C@H](CNC(=O)C(F)C1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198737	0	42	-1.0	-47.94	385.09	1.17	-46.77
C[C@H](CNC(=O)C1(C)CS(=O)(=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198738	0	42	-1.0	-51.59	374.35	-4.01	-55.60
C[C@H](CNC(=O)C1=CN(CCCF)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198739	0	44	-1.0	-53.65	401.06	-1.54	-55.19
C[C@H](CNC(=O)C(C)(C)CC1=NNN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198740	0	47	-1.0	-47.35	401.14	-1.87	-49.22
C[C@H](CNC(=O)C(C)(C)CC1=CNN=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198740	1	47	-1.0	-50.61	401.15	-1.80	-52.41
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1Cl	REAL300025198741	0	45	-1.0	-46.61	404.56	2.03	-44.58
CC1=CC=C2OC=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2=C1	REAL300025198742	0	45	-1.0	-50.47	400.43	1.39	-49.08
C[C@H](CNC(=O)C12CC(C)(C1)OC2(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198743	0	50	-1.0	-45.82	412.56	-0.38	-46.20
C[C@H](CNC(=O)C1=COC(C(F)F)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198744	0	38	-1.0	-50.50	364.48	-4.02	-54.52
C[C@H](CNC(=O)C=CC(=O)NC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198745	0	44	-1.0	-49.97	398.44	-2.07	-52.04
C[C@H](CNC(=O)CC1=NC2=C(CCCC2)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198746	0	49	-1.0	-54.20	417.09	0.14	-54.06
C[C@H](CNC(=O)C1=CC=C2CN(C)CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198747	0	48	-1.0	-47.01	410.93	-0.84	-47.85
CC(C)NC(=O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198748	0	42	-1.0	-47.43	374.34	-3.43	-50.86
C=C(Cl)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198749	0	39	-1.0	-45.94	366.28	-0.05	-45.99
C[C@H](CNC(=O)C1=CN=C(C(C)(C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198750	0	48	-1.0	-46.95	414.66	-0.46	-47.41
CCC(CCOC)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198751	0	48	-1.0	-47.23	402.15	-1.05	-48.28
C[C@H](CNC(=O)C1CC2C=CCC(C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198752	0	50	-1.0	-44.86	403.95	1.96	-42.90
CC1=C(C)OC(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025198753	0	47	-1.0	-49.87	414.93	-1.99	-51.86
CC1=COC(C)=C1C=CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198754	0	46	-1.0	-48.01	409.18	1.10	-46.91
C[C@H](CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198755	0	50	0.0	-62.59	407.51	1.43	-61.16
C[C@H](CNC(=O)C12CC(C1)C[N@H+]2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198755	1	50	0.0	-63.06	407.66	2.09	-60.97
C[C@H](CNC(=O)C12CC(C1)CN2C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198755	1	49	-1.0	-44.88	406.20	-0.19	-45.07
CC1=CN2C=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)SC2=N1	REAL300025198756	0	42	-1.0	-50.59	392.29	0.85	-49.74
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025198757	0	41	-1.0	-45.66	358.54	-1.26	-46.92
C[C@H](CNC(=O)C1=COC(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198758	0	38	-1.0	-50.63	351.27	-0.47	-51.10
C[C@H](CNC(=O)C1=CC=C([N+](=O)[O-])O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198759	0	38	-1.0	-50.17	365.02	-0.95	-51.12
CON=CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198760	0	46	-1.0	-48.87	413.77	0.49	-48.38
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=CC=C1[N+](=O)[O-]	REAL300025198761	0	44	-1.0	-49.16	388.62	1.56	-47.60
C[C@H](CNC(=O)CC1=CC=CC=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198762	0	44	-1.0	-53.38	395.65	1.41	-51.97
C[C@H](CNC(=O)CC1=CC(=O)NC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198763	0	42	-1.0	-55.91	384.40	-4.87	-60.78
COC1=CC=C(C(C)C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025198764	0	49	-1.0	-48.16	420.38	0.90	-47.26
COC1=CC=CC(C(O)C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198765	0	47	-1.0	-48.69	412.57	-1.60	-50.29
CSC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025198766	0	40	-1.0	-45.17	377.81	-0.43	-45.60
C[C@H](CNC(=O)C=C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198767	0	43	-1.0	-45.64	370.37	0.69	-44.95
C[C@H](CNC(=O)C(C)(C)OC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198768	0	49	-1.0	-48.46	410.43	1.83	-46.63
C[C@H](CNC(=O)C1=CC=C(Cl)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198769	0	37	-1.0	-48.66	359.50	-2.07	-50.73
C[C@H](CNC(=O)CN1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198770	0	48	-1.0	-48.68	401.91	-4.81	-53.49
C[C@H](CNC(=O)C[NH+]1CCC(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198770	1	49	0.0	-70.85	403.73	-2.66	-73.51
C[C@H](CNC(=O)C[N@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198771	0	45	0.0	-64.67	379.81	0.20	-64.47
C[C@H](CNC(=O)C[N@@H+](C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198771	1	45	0.0	-65.04	379.94	0.21	-64.83
C[C@H](CNC(=O)CN(C)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198771	1	44	-1.0	-46.26	373.82	-2.18	-48.44
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1CCN(C)CC1	REAL300025198772	0	52	-1.0	-46.22	420.99	-3.72	-49.94
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300025198772	1	53	0.0	-68.30	423.79	-1.36	-69.66
CC(=CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(F)C=C1	REAL300025198773	0	46	-1.0	-45.94	411.27	2.45	-43.49
CC(SC1=CC=CC=N1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198774	0	45	-1.0	-48.48	408.51	0.89	-47.59
CC1=CN=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025198775	0	41	-1.0	-49.70	381.66	-1.03	-50.73
C[C@H](CNC(=O)C1CCC(C2CCCO2)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198776	0	51	-1.0	-48.58	428.94	-0.32	-48.90
C[C@H](CNC(=O)C1(CO)COC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198777	0	41	-1.0	-48.54	358.72	-5.54	-54.08
CC(C)=CCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198778	0	45	-1.0	-45.70	388.24	0.83	-44.87
CC=C(C=CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)CC	REAL300025198779	0	46	-1.0	-45.83	398.90	1.29	-44.54
C[C@H](CNC(=O)C1COC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198780	0	37	-1.0	-48.33	332.19	-3.41	-51.74
C[C@H](CNC(=O)C=CC1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198781	0	46	-1.0	-45.58	393.84	1.35	-44.23
C[C@H](CNC(=O)C1=CC=C(CO)C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198782	0	43	-1.0	-47.60	386.82	-2.08	-49.68
C[C@H](CNC(=O)C12CCC(F)(CC1)CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198783	0	49	-1.0	-45.72	401.70	1.50	-44.22
C[C@H](CNC(=O)C1=CN=C(C2CC2)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198784	0	43	-1.0	-47.40	384.35	-0.69	-48.09
C[C@H](CNC(=O)C1CCC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198785	0	43	-1.0	-48.68	372.29	-0.53	-49.21
C[C@H](CNC(=O)C1CCCCS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198786	0	43	-1.0	-46.37	377.92	0.37	-46.00
C[C@H](CNC(=O)C1=CC=NC(C(N)=O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198787	0	42	-1.0	-52.12	382.47	-4.54	-56.66
CC1=NOC(C)(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198788	0	43	-1.0	-49.31	379.61	-1.67	-50.98
C[C@H](CNC(=O)C1=NN(CO)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198789	0	40	-1.0	-49.46	366.01	-5.54	-55.00
C[C@H](CNC(=O)CC1(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198790	0	43	-1.0	-46.42	376.51	-3.23	-49.65
CSC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300025198791	0	46	-1.0	-47.13	413.49	2.31	-44.82
C[C@H](CNC(=O)C1(S(C)(=O)=O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198792	0	42	-1.0	-51.48	383.50	-3.51	-54.99
CCSC1=CC=CN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198793	0	45	-1.0	-48.68	403.87	0.50	-48.18
CCC1(CC)CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198794	0	51	-1.0	-45.11	416.74	1.68	-43.43
C[C@H](CNC(=O)CC1C[NH+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198795	0	45	0.0	-68.39	381.97	-0.37	-68.76
C[C@H](CNC(=O)C1=C2ON=NC2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198796	0	40	-1.0	-52.74	365.77	-1.01	-53.75
CC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CN=C1F	REAL300025198797	0	41	-1.0	-48.12	372.07	-0.83	-48.95
CC1=NN=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025198798	0	37	-1.0	-49.22	355.48	-2.86	-52.08
C[C@H](CNC(=O)C1CC[N@@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198799	0	52	0.0	-66.01	422.62	1.74	-64.27
C[C@H](CNC(=O)C1CC[N@H+]1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198799	1	52	0.0	-66.09	421.21	1.60	-64.49
C[C@H](CNC(=O)C1CCN1C1CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198799	1	51	-1.0	-46.73	419.18	-1.14	-47.87
C[C@H](CNC(=O)C1CC(C)(O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198800	0	43	-1.0	-48.25	372.59	-3.46	-51.71
CCCCCC(O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198801	0	48	-1.0	-46.31	410.73	-0.88	-47.19
C[C@H](CNC(=O)C1(N2C=NC=N2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198802	0	42	-1.0	-48.41	381.58	0.75	-47.66
C[C@H](CNC(=O)C1=CC(=O)NC([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198803	0	39	-2.0	-88.58	363.89	-6.06	-94.64
CO[C@H](C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198804	0	39	-1.0	-48.32	347.45	-1.84	-50.16
C[C@H](CNC(=O)C1CCCN1C=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198805	0	43	-1.0	-53.22	377.46	-1.72	-54.94
CC1=NNC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025198806	0	38	-1.0	-46.70	349.96	-2.62	-49.32
CC1=NN=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025198806	1	38	-1.0	-51.05	350.16	-2.36	-53.41
C[C@H](CNC(=O)C1CC[N@@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198807	0	51	0.0	-63.34	396.05	0.01	-63.33
C[C@H](CNC(=O)C1CC[N@H+]1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198807	1	51	0.0	-64.13	394.50	0.34	-63.79
C[C@H](CNC(=O)C1CCN1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198807	1	50	-1.0	-46.91	408.83	-2.12	-49.03
C[C@H](CNC(=O)CCC1CC1(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198808	0	42	-1.0	-48.34	380.10	0.57	-47.77
CC1=NN=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025198809	0	40	-1.0	-52.74	376.15	-2.16	-54.90
CC1=CN=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198810	0	40	-1.0	-49.67	364.13	-1.82	-51.49
CSCC1(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198811	0	46	-1.0	-45.46	408.00	1.24	-44.22
C[C@H](CNC(=O)[C@@H]1C[C@@H]1C(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198812	0	39	-1.0	-48.99	348.60	-0.22	-49.21
C[C@H](CNC(=O)C1=NC2=C(CCCC2)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198813	0	45	-1.0	-46.94	402.21	0.10	-46.84
CCN1C(=O)NC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198814	0	43	-1.0	-52.66	382.00	-2.00	-54.66
C[C@H](CNC(=O)C1=COC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198815	0	36	-1.0	-51.93	338.09	-4.54	-56.47
C[C@H](CNC(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198815	1	35	-2.0	-91.09	335.96	-6.21	-97.30
CC=CC(O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198816	0	40	-1.0	-46.26	358.01	-2.46	-48.72
C[C@H](CNC(=O)C1=CC2=CC=CNC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198817	0	42	-1.0	-58.93	380.28	-0.33	-59.26
CCCC[C@H](C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198818	0	47	-1.0	-45.31	395.62	0.93	-44.38
C[C@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198819	0	44	0.0	-65.62	368.70	-0.79	-66.41
C[C@H](CNC(=O)[C@H](C)N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198819	1	43	-1.0	-45.94	362.61	-3.21	-49.15
C[C@H](CNC(=O)C1=NOC2=CC(F)=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198820	0	41	-1.0	-47.06	381.98	-0.26	-47.32
CCC=C(F)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198821	0	39	-1.0	-45.12	353.79	-0.51	-45.63
C[C@H](CNC(=O)C1C2(CC2)C12CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198822	0	44	-1.0	-46.09	390.40	1.81	-44.28
CCC=CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198823	0	39	-1.0	-45.86	349.61	-0.55	-46.41
CCC(F)(F)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198824	0	41	-1.0	-50.39	366.75	-0.25	-50.64
C[C@H](CNC(=O)C1CC2=CC=CC=C2CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198825	0	47	-1.0	-49.13	407.35	1.58	-47.55
C[C@H](CNC(=O)C1=CC=CC(CN=[N+]=[N-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198826	0	44	-1.0	-47.11	401.87	-2.34	-49.45
C[C@H](CNC(=O)C1=NOC2=CC=C(F)C=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198827	0	41	-1.0	-48.05	382.07	-0.27	-48.32
CC1=NOC=C1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198828	0	41	-1.0	-50.97	371.77	-0.94	-51.91
CC1=NC2=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=NC=C2N1	REAL300025198829	0	44	-1.0	-55.79	392.55	-1.77	-57.56
CC1=NC2=CN=CC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)=C2N1	REAL300025198829	1	44	-1.0	-50.16	391.27	-1.75	-51.91
C[C@H](CNC(=O)CC1=CSN=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198830	0	37	-1.0	-53.49	352.56	-2.49	-55.98
C[C@H](CNC(=O)C1=CC=C([N+](=O)[O-])C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198831	0	41	-1.0	-49.53	383.05	1.13	-48.40
C[C@H](CNC(=O)CC1C=CS(=O)(=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198832	0	43	-1.0	-54.90	388.64	-3.53	-58.43
C[C@H](CNC(=O)CSC1=CC=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198833	0	43	-1.0	-50.58	399.25	1.57	-49.01
C[C@H](CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300025198834	0	35	0.0	-23.18	327.50	-5.60	-28.78
C[C@H](CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)[N-]N1	REAL300025198834	1	34	-1.0	-52.93	324.08	-6.44	-59.37
C[C@H](CNC(=O)C1CCC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198835	0	40	-1.0	-53.05	357.26	-4.02	-57.07
C[C@H](CNC(=O)C1=C([N+](=O)[O-])C=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198836	0	38	-1.0	-50.84	355.92	-1.50	-52.34
C[C@H](CNC(=O)C1=NNC=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198836	1	38	-1.0	-53.97	356.95	-1.55	-55.52
C[C@H](CNC(=O)C1CC(=O)N(C2CC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198837	0	47	-1.0	-52.69	404.04	-0.40	-53.09
C[C@H](CNC(=O)C(C)(C)CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198838	0	42	-1.0	-46.11	362.73	-3.90	-50.01
C=CN1N=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198839	0	40	-1.0	-48.31	363.09	-0.85	-49.16
CC1=COC(C(C)C)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198840	0	48	-1.0	-47.59	420.60	1.16	-46.43
C[C@H](CNC(=O)C(O)C1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198841	0	52	-1.0	-45.46	411.41	0.30	-45.16
C[C@H](CNC(=O)C1=CC=C2C(=O)NCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198842	0	44	-1.0	-53.06	392.58	-2.13	-55.19
C[C@H](CNC(=O)C1=NC=CN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198843	0	39	-1.0	-49.18	351.66	-1.14	-50.32
C[C@H](CNC(=O)C1=COC2=C(F)C=CC=C12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198844	0	42	-1.0	-50.46	385.44	0.79	-49.67
C[C@H](CNC(=O)C1=COC2=C1C(=O)NCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198845	0	44	-1.0	-59.79	390.31	-1.59	-61.38
CC1=C(C)NC(C=CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025198846	0	46	-1.0	-50.58	408.92	-0.38	-50.96
CCC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C(C)O1	REAL300025198847	0	45	-1.0	-46.17	395.40	0.77	-45.40
COCC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC=CC1	REAL300025198848	0	47	-1.0	-45.36	399.07	0.07	-45.29
CCC1=NC(C)=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=N1	REAL300025198849	0	49	-1.0	-48.20	426.90	-0.14	-48.34
C[C@H](CNC(=O)C1=CN(C2COC2)N=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198850	0	43	-1.0	-51.33	388.02	-4.17	-55.50
C[C@H](CNC(=O)C1=CN2N=CN=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198851	0	41	-1.0	-50.95	372.17	0.82	-50.13
C[C@H](CNC(=O)C1=C2C=NOC2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198852	0	41	-1.0	-49.10	370.76	-0.23	-49.33
C[C@H](CNC(=O)CC(O)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198853	0	43	-1.0	-48.36	377.90	-2.03	-50.39
C[C@H](CNC(=O)C1=NC(F)=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198854	0	38	-1.0	-48.07	366.51	-0.88	-48.95
C[C@H](CNC(=O)C1=C2C(=CC=N1)C=CN2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198855	0	45	-1.0	-51.25	398.94	-0.10	-51.35
C[C@H](CNC(=O)COC1CCCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198856	0	47	-1.0	-48.91	402.51	-1.32	-50.23
COC1(C(F)(F)C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025198857	0	46	-1.0	-45.22	395.29	-1.07	-46.29
COC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CCCOC1	REAL300025198858	0	50	-1.0	-47.75	418.82	-0.92	-48.67
CC(C)CC(F)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198859	0	44	-1.0	-46.36	379.66	0.14	-46.22
C[C@H](CNC(=O)C#CC1(C)COC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198860	0	42	-1.0	-47.49	381.82	-1.46	-48.95
CC(=CC1CC1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198861	0	43	-1.0	-45.72	374.18	0.89	-44.83
CC(C)C(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=NNC=N1	REAL300025198862	0	47	-1.0	-51.37	408.13	-0.69	-52.06
CC(C)C(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=NN=CN1	REAL300025198862	1	47	-1.0	-50.42	406.38	-0.08	-50.50
C[C@H](CNC(=O)C1CC2(CC(=O)N2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198863	0	44	-1.0	-51.14	387.41	-4.00	-55.14
C[C@H](CNC(=O)C1C(C)(C)C1(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198864	0	42	-1.0	-46.32	372.00	0.15	-46.17
C[C@H](CNC(=O)C1(O)CC2CCC1C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198865	0	47	-1.0	-45.20	387.01	-2.38	-47.58
CCC1CCC[N@H+](CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198866	0	54	0.0	-66.86	431.52	1.92	-64.94
CCC1CCC[N@@H+](CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198866	1	54	0.0	-66.89	431.50	1.92	-64.97
C[C@H](CNC(=O)C=CC1=COC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198867	0	39	-1.0	-50.36	362.79	-3.61	-53.97
CC(=CN1C=CN=N1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198868	0	42	-1.0	-51.39	374.52	-1.05	-52.44
CC(C)N1C=NN=C1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198869	0	47	-1.0	-55.29	410.83	1.23	-54.06
CCC(O)(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300025198870	0	49	-1.0	-47.20	414.66	-0.87	-48.07
C[C@H](CNC(=O)CC1(CO)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198871	0	46	-1.0	-45.90	388.30	-2.75	-48.65
C[C@H](CNC(=O)C1=COC2=C1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198872	0	46	-1.0	-48.70	395.49	1.05	-47.65
C[C@H](CNC(=O)C1(C2CCCO2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198873	0	50	-1.0	-47.11	409.06	1.34	-45.77
C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198874	0	49	0.0	-70.47	417.12	0.23	-70.24
C[C@H](CNC(=O)C1=CC=C(CN(C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198874	1	48	-1.0	-46.56	414.98	-2.50	-49.06
C[C@H](CNC(=O)C1=CON=C1C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198875	0	47	-1.0	-47.76	399.45	0.24	-47.52
C[C@H](CNC(=O)CC1(CO)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198876	0	49	-1.0	-45.53	402.64	-2.09	-47.62
CCCCC1=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C(C)O1	REAL300025198877	0	51	-1.0	-45.81	438.40	2.33	-43.48
C[C@H](CNC(=O)C1CCCC2=C1N(C)N=N2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198878	0	48	-1.0	-53.43	406.85	-1.28	-54.71
CON=C(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CO1	REAL300025198879	0	43	-1.0	-48.74	390.41	-0.57	-49.31
C[C@H](CNC(=O)C1CCN2N=CN=C2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198880	0	45	-1.0	-51.36	390.64	0.36	-51.00
C[C@H](CNC(=O)C1CC(=O)NC1(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198881	0	46	-1.0	-49.99	393.42	-3.10	-53.09
C=CCC1=CC=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198882	0	46	-1.0	-45.66	398.02	2.33	-43.33
COC1C[C@@H]2CC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C[C@H]12	REAL300025198883	0	50	-1.0	-46.46	412.37	0.56	-45.90
C[C@H](CNC(=O)C1=CC=NC2=C1NC(=O)N2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198884	0	42	-1.0	-50.87	379.14	-3.39	-54.26
C[C@H](CNC(=O)CC1=NC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198885	0	38	-1.0	-49.56	359.75	-1.82	-51.38
C[C@H](CNC(=O)CC1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198886	0	55	0.0	-67.71	416.21	1.25	-66.46
CSC1=C(F)C=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198887	0	43	-1.0	-48.34	396.10	1.52	-46.82
C[C@H](CNC(=O)C1CCC=CO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198888	0	41	-1.0	-48.02	360.66	-0.28	-48.30
C[C@H](CNC(=O)C(C)(O)C1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198889	0	46	-1.0	-45.10	388.01	-2.18	-47.28
C[C@H](CNC(=O)C1CCC(C)(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198890	0	46	-1.0	-48.54	392.34	0.01	-48.53
CC(O)C1=CN(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300025198891	0	45	-1.0	-56.68	402.36	-4.77	-61.45
C[C@H](CNC(=O)CC1=CC=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198892	0	42	-1.0	-51.70	375.22	-1.42	-53.12
C[C@H](CNC(=O)CC1CSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198893	0	40	-1.0	-48.61	362.63	-0.23	-48.84
CC1=NNC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1[N+](=O)[O-]	REAL300025198894	0	41	-1.0	-50.78	383.97	-1.74	-52.52
C[C@H](CNC(=O)C1=CN=C2N=CC=CN12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198895	0	41	-1.0	-51.13	369.15	1.40	-49.73
CSC1=C(C)OC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198896	0	43	-1.0	-46.53	398.66	0.25	-46.28
COCCNC(=O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198897	0	43	-1.0	-48.24	387.31	-5.17	-53.41
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1C=CC(C2CC2)=N1	REAL300025198898	0	49	-1.0	-51.65	425.40	1.04	-50.61
C[C@H](CNC(=O)C1(F)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198899	0	39	-1.0	-45.20	348.13	-0.61	-45.81
CC(C)C1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C	REAL300025198900	0	48	-1.0	-49.16	403.78	-0.37	-49.53
C[C@H](CNC(=O)CSC1=CC=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198901	0	42	-1.0	-49.27	388.60	-0.24	-49.51
C[C@H](CNC(=O)C1=NC2=CC=CC=C2S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198902	0	41	-1.0	-48.29	385.73	-0.11	-48.40
C[C@H](CNC(=O)CSC1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198903	0	43	-1.0	-48.23	399.88	1.60	-46.63
C[C@H](CNC(=O)C1=CC=C2NC=NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198904	0	42	-1.0	-52.95	375.95	0.01	-52.94
C[C@H](CNC(=O)C1CSCCS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198905	0	41	-1.0	-45.99	378.72	0.13	-45.86
C[C@H](CNC(=O)C1=CC(Cl)=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198906	0	38	-1.0	-46.14	364.34	-0.82	-46.96
CCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300025198907	0	48	-1.0	-45.36	412.43	2.20	-43.16
C[C@H](CNC(=O)C=CC(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198908	0	37	-1.0	-50.54	344.91	-5.27	-55.81
C[C@H](CNC(=O)C1=CC=C[N+]([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198909	0	39	-1.0	-60.62	357.60	-1.00	-61.62
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1C=C(Cl)C=N1	REAL300025198910	0	42	-1.0	-49.79	390.76	-0.52	-50.31
C=CCCCCCCCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198911	0	57	-1.0	-45.80	478.25	4.10	-41.70
C[C@H](CNC(=O)C1=CC(=O)NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198912	0	38	-1.0	-53.22	352.49	-2.79	-56.01
C#CCSCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198913	0	38	-1.0	-49.75	365.25	-0.07	-49.82
C[C@H](CNC(=O)CSCC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198914	0	46	-1.0	-48.99	419.38	2.44	-46.55
C[C@H](CNC(=O)C1=CC=CN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198915	0	38	-1.0	-49.04	358.00	-0.94	-49.98
CC(O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198916	0	36	-1.0	-49.52	326.08	-4.07	-53.59
C[C@H](CNC(=O)C1=C2N=CNC2=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198917	0	42	-1.0	-54.24	381.92	0.25	-53.99
C[C@H](CNC(=O)C1=C2NC=NC2=CC(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198917	1	42	-1.0	-49.77	380.44	0.25	-49.52
C[C@H](CNC(=O)CC1=CN2C=CSC2=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198918	0	42	-1.0	-56.65	391.48	0.90	-55.75
C[C@H](CNC(=O)C1(O)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198919	0	40	-1.0	-45.96	348.24	-3.70	-49.66
C[C@H](CNC(=O)CSCC1=CC=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198920	0	45	-1.0	-51.55	414.37	0.59	-50.96
C[C@H](CNC(=O)C(O)C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198921	0	40	-1.0	-46.13	354.03	-2.24	-48.37
C[C@H](CNC(=O)C1=CC=CC=C1CO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198922	0	43	-1.0	-46.99	375.96	-2.10	-49.09
C[C@H](CNC(=O)C1(C(N)=O)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198923	0	43	-1.0	-48.36	377.60	-4.19	-52.55
C[C@H](CNC(=O)CN1C=NN=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198924	0	38	-1.0	-56.63	350.44	0.85	-55.78
C[C@H](CNC(=O)C1CCC2=CC=CC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198925	0	46	-1.0	-45.11	395.86	2.16	-42.95
CSC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025198926	0	42	-1.0	-46.81	388.06	-0.17	-46.98
C[C@H](CNC(=O)C1(C(=O)NC2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198927	0	47	-1.0	-48.04	412.52	-0.74	-48.78
C[C@H](CNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198928	0	41	0.0	-63.83	377.61	-1.02	-64.85
C[C@H](CNC(=O)C1=CC=CC(CO)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198929	0	43	-1.0	-49.01	383.15	-2.30	-51.31
C=CCC(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198930	0	42	-1.0	-45.42	365.90	-0.06	-45.48
CSCC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025198931	0	43	-1.0	-47.30	401.20	0.44	-46.86
C[C@H](CNC(=O)C(F)(F)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198932	0	35	-1.0	-44.64	344.44	-1.33	-45.97
C[C@H](C[N-]C(=O)C(F)(F)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198932	1	34	-2.0	-80.28	342.50	-2.95	-83.23
CCSC1=CC=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198933	0	46	-1.0	-47.72	407.52	2.23	-45.49
C[C@H](CNC(=O)CC1C(=O)N=CNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198934	0	42	-1.0	-59.50	377.76	-2.87	-62.37
C[C@H](CNC(=O)C1=CC=C(NC=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198935	0	43	-1.0	-53.23	384.82	-1.43	-54.66
C[C@H](CNC(=O)C1CC1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198936	0	36	-1.0	-45.65	332.26	-1.05	-46.70
C[C@H](CNC(=O)C1=CC=CC=C1C(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198937	0	42	-1.0	-47.12	378.55	1.16	-45.96
C[C@H](CNC(=O)C1=CC=NC(OCCO)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198938	0	46	-1.0	-51.08	410.94	-5.06	-56.14
C[C@H](CNC(=O)COC1(C)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198939	0	46	-1.0	-48.33	392.13	0.21	-48.12
C[C@H](CNC(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198940	0	48	0.0	-68.34	400.98	-3.19	-71.53
C[C@H](CNC(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198940	1	48	0.0	-67.98	400.97	-3.22	-71.20
C[C@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198941	0	44	0.0	-65.62	368.70	-0.79	-66.41
C[C@H](CNC(=O)[C@H](C)N(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198941	1	43	-1.0	-45.94	362.61	-3.21	-49.15
C[C@H](CNC(=O)C1=CC=C2OC=NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198942	0	41	-1.0	-51.48	371.92	-2.71	-54.19
C[C@H](CNC(=O)CCF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198943	0	35	-1.0	-45.93	321.54	-1.77	-47.70
C[C@H](CNC(=O)CN1C=CN=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198944	0	38	-1.0	-57.09	349.03	-2.79	-59.88
C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198945	0	48	0.0	-64.18	392.48	0.40	-63.78
C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198945	1	48	0.0	-64.89	383.19	0.22	-64.67
C[C@H](CNC(=O)[C@H]1CCCCN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198945	1	47	-1.0	-45.72	389.50	-1.82	-47.54
C[C@H](CNC(=O)C1=C2C=C(F)C=CC2=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198946	0	42	-1.0	-49.00	383.77	-0.86	-49.86
C[C@H](CNC(=O)CCC1=NC=C(F)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198947	0	43	-1.0	-47.66	392.77	-0.87	-48.53
C=CC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025198948	0	43	-1.0	-44.97	368.91	0.89	-44.08
C[C@H](CNC(=O)C1(O)COC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198949	0	38	-1.0	-47.48	340.54	-5.94	-53.42
C[C@H](CNC(=O)C1=CC=C(F)N=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198950	0	38	-1.0	-50.53	356.30	-1.48	-52.01
CCC(C)C(O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198951	0	45	-1.0	-45.84	380.52	-1.85	-47.69
COC1=CC=CC=C1C(O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198952	0	47	-1.0	-44.66	403.34	-1.23	-45.89
C[C@H](CNC(=O)C1=NC=NC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198953	0	37	-1.0	-46.08	355.32	-1.02	-47.10
CC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)=C1CC1	REAL300025198954	0	40	-1.0	-46.50	357.73	0.32	-46.18
C[C@H](CNC(=O)C1C[N@@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198955	0	51	0.0	-69.11	401.91	-2.33	-71.44
C[C@H](CNC(=O)C1C[N@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198955	1	51	0.0	-69.55	401.88	-2.31	-71.86
C[C@H](CNC(=O)C1CN2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198955	1	50	-1.0	-46.15	400.39	-4.58	-50.73
C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198956	0	49	-1.0	-46.84	404.69	-1.93	-48.77
C[C@H](CNC(=O)[C@H](C)N1C=NN=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198957	0	40	-1.0	-54.93	362.37	-1.98	-56.91
C[C@H](CNC(=O)C1=CN=NC(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198958	0	37	-1.0	-48.20	357.39	-2.03	-50.23
C[C@H](CNC(=O)COC1=CN(C)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198959	0	43	-1.0	-52.54	388.67	-1.27	-53.81
COC12CCC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)(CC1)CC2	REAL300025198960	0	53	-1.0	-45.53	421.20	0.17	-45.36
C[C@H](CNC(=O)C1CCCN1N=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198961	0	42	-1.0	-51.52	373.61	-2.62	-54.14
C[C@H](CNC(=O)CCCC1=NC=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198962	0	44	-1.0	-49.59	402.64	-0.23	-49.82
CC1=CSC(CCCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025198963	0	47	-1.0	-49.91	424.44	0.37	-49.54
CCC1CC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198964	0	42	-1.0	-45.16	362.77	0.31	-44.85
C[C@H](CNC(=O)C1=NN2CCNC(=O)C2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198965	0	44	-1.0	-53.35	395.08	-4.26	-57.61
C[C@H](CNC(=O)CN=S(C)(C)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198966	0	42	-1.0	-59.07	383.49	-5.21	-64.28
C[C@H](CNC(=O)CCCCCCN=[N+]=[N-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198967	0	49	-1.0	-46.99	431.08	-2.15	-49.14
CC(O)CCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198968	0	45	-1.0	-48.29	389.78	-2.88	-51.17
CC1=NOC(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025198969	0	41	-1.0	-51.83	371.89	-0.74	-52.57
C[C@H](CNC(=O)CC1=CN=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198970	0	41	-1.0	-48.64	384.31	-0.29	-48.93
C[C@H](CNC(=O)CC1(O)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198971	0	40	-1.0	-49.07	356.90	-3.89	-52.96
C[C@H](CNC(=O)CCCCC(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198972	0	44	-1.0	-47.04	397.57	0.80	-46.24
C[C@H](CNC(=O)CC1=CC=NNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198973	0	41	-1.0	-55.40	373.54	-3.39	-58.79
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C([N+](=O)[O-])O1	REAL300025198974	0	41	-1.0	-48.83	382.44	-0.18	-49.01
CC1=CC(=O)N(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025198975	0	47	-1.0	-54.52	416.81	0.48	-54.04
C[C@H](CNC(=O)C1C2CCOCC21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198976	0	44	-1.0	-46.51	369.12	0.38	-46.13
CC1=CN(C(C)C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300025198977	0	45	-1.0	-50.80	395.56	-0.36	-51.16
CC(C)C(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)N1C=NN=C1	REAL300025198978	0	47	-1.0	-53.08	399.52	1.56	-51.52
C[C@H](CNC(=O)CCC1=CC=C(F)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198979	0	44	-1.0	-49.53	397.62	0.04	-49.49
C[C@H](CNC(=O)C=CCF)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198980	0	36	-1.0	-47.67	334.70	-1.19	-48.86
C[C@H](CNC(=O)C1(CC(F)F)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198981	0	45	-1.0	-47.31	389.69	0.54	-46.77
C[C@H](CNC(=O)C(F)CC1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198982	0	42	-1.0	-46.68	374.63	0.45	-46.23
CCC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025198983	0	48	-1.0	-45.04	402.73	1.57	-43.47
CC1=C2N=C(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C=CN2N=C1	REAL300025198984	0	44	-1.0	-49.11	396.85	0.03	-49.08
C[C@H](CNC(=O)[C@H]1CC[C@H](N=[N+]=[N-])CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198985	0	47	-1.0	-46.08	405.56	-2.79	-48.87
C[C@H](CNC(=O)C(O)C1=CC=NN1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198986	0	43	-1.0	-49.09	382.13	-3.39	-52.48
C[C@H](CNC(=O)C12COC(C)(C1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198987	0	50	-1.0	-46.47	406.84	-0.36	-46.83
C[C@H](CNC(=O)C1=NN(C)C2=C1COCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198988	0	47	-1.0	-50.48	407.53	-1.86	-52.34
CC1=CC=CN=C1C=CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198989	0	45	-1.0	-48.68	399.89	0.58	-48.10
CCC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1CCC1	REAL300025198990	0	51	-1.0	-45.05	414.84	1.95	-43.10
COCC1=CC(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=NO1	REAL300025198991	0	45	-1.0	-53.18	404.80	-1.68	-54.86
CC1=NC(CO)=NC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198992	0	44	-1.0	-49.86	390.01	-4.42	-54.28
C[C@H](CNC(=O)C1(C)CC(C2CC2)=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198993	0	47	-1.0	-48.90	410.86	-0.06	-48.96
CC(C)C1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1F	REAL300025198994	0	48	-1.0	-49.22	413.69	2.33	-46.89
C[C@H](CNC(=O)C1=CC(C(C)(C)C)=CC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198995	0	50	-1.0	-46.75	424.35	1.01	-45.74
COC1C[N@@H+]2CCCC2(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198996	0	53	0.0	-64.13	426.35	-0.42	-64.55
COC1C[N@H+]2CCCC2(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025198996	1	53	0.0	-63.90	428.56	-0.23	-64.13
C[C@H](CNC(=O)C=CC1=NC=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198997	0	40	-1.0	-50.63	367.28	-1.48	-52.11
CC(=CC1=CC=C(F)C=C1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198998	0	46	-1.0	-46.70	403.93	2.22	-44.48
C[C@H](CNC(=O)C1=CC=CC2=CN=NN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198999	0	41	-1.0	-55.35	369.67	-0.92	-56.27
CC(=O)NC1(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025199000	0	46	-1.0	-49.34	404.43	-2.14	-51.48
CNC(=O)N[C@@H](C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199001	0	44	-1.0	-50.71	388.04	-4.73	-55.44
C[C@H](CNC(=O)C1CC(C2CC2)=NO1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199002	0	44	-1.0	-52.49	391.63	0.34	-52.15
C[C@H](CNC(=O)C12CCC(F)(CC1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199003	0	46	-1.0	-46.41	390.15	0.92	-45.49
C[C@H](CNC(=O)C1CC(C2CCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199004	0	49	-1.0	-45.48	409.95	2.01	-43.47
C[C@H](CNC(=O)C1=CN=C2OCCCC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199005	0	46	-1.0	-50.76	399.09	-2.11	-52.87
CCC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)OC	REAL300025199006	0	45	-1.0	-46.56	383.54	-0.66	-47.22
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=NN1C1CCC1	REAL300025199007	0	49	-1.0	-49.15	418.99	0.83	-48.32
C[C@H](CNC(=O)CC1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199008	0	46	0.0	-68.46	404.94	2.99	-65.47
C[C@H](CNC(=O)CC1=CC2=CN=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199008	1	45	-1.0	-52.50	401.51	2.48	-50.02
COCC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC=CCC1	REAL300025199009	0	50	-1.0	-47.17	416.46	0.01	-47.16
C[C@H](CNC(=O)C1=CC=C(C(F)F)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199010	0	41	-1.0	-47.65	381.78	-0.41	-48.06
C[C@H](CNC(=O)C1=C(Cl)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199011	0	37	-1.0	-47.41	353.04	-0.14	-47.55
CCCC1=CC=C(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300025199012	0	51	-1.0	-47.39	439.35	3.29	-44.10
CC1=NN=NN1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199013	0	40	-1.0	-57.32	364.91	-2.55	-59.87
C[C@H](CNC(=O)C1=CC=CC2=NN=CN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199014	0	41	-1.0	-53.70	368.24	1.33	-52.37
C[C@H](CNC(=O)[C@@H]1C[C@@H]1C1=NN=CN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199015	0	42	-1.0	-55.24	375.14	-0.46	-55.70
C[C@H](CNC(=O)[C@@H]1C[C@@H]1C1=NNC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199015	1	42	-1.0	-51.98	374.50	-0.14	-52.12
C[C@H](CNC(=O)C1COC2COCC21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199016	0	45	-1.0	-47.14	382.78	-3.28	-50.42
C[C@H](CNC(=O)[C@]12C[C@H]1[C@H](F)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199017	0	40	-1.0	-47.90	360.51	0.14	-47.76
C[C@H](CNC(=O)C1=CN=CC(C(C)(C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199018	0	50	-1.0	-47.13	421.83	0.89	-46.24
C[C@H](CNC(=O)CCC1=CC=CC(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199019	0	45	-1.0	-53.90	401.00	-1.34	-55.24
CCC1=NNC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1[N+](=O)[O-]	REAL300025199020	0	44	-1.0	-50.56	405.46	-1.00	-51.56
C[C@H](CNC(=O)C1=CC=CC=C1NC(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199021	0	45	-1.0	-49.86	393.96	-3.09	-52.95
C[C@H](CNC(=O)CC1=CC=C(Cl)N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199022	0	41	-1.0	-50.27	386.67	-0.29	-50.56
C[C@H](CNC(=O)C1=CCCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199023	0	41	-1.0	-47.17	357.67	-1.79	-48.96
CCN1N=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=C1C	REAL300025199024	0	45	-1.0	-49.37	397.10	-0.48	-49.85
C[C@H](CNC(=O)C1(C)CC1(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199025	0	39	-1.0	-48.09	354.12	-0.35	-48.44
CC1=C(Cl)C=NN1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199026	0	42	-1.0	-51.09	393.28	-0.55	-51.64
CCC1=NOC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025199027	0	41	-1.0	-47.40	372.47	-0.86	-48.26
C[C@H](CNC(=O)C(O)C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199028	0	45	-1.0	-45.20	376.11	-1.64	-46.84
C[C@H](CNC(=O)CC1=CSC(NC=O)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199029	0	42	-1.0	-54.99	393.01	-2.52	-57.51
CCCCN1N=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199030	0	48	-1.0	-46.07	393.52	0.44	-45.63
C[C@H](CNC(=O)C1CCSCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199031	0	43	-1.0	-46.11	375.46	0.38	-45.73
C[C@H](CNC(=O)C1=C2OC=NC2=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199032	0	41	-1.0	-52.57	371.68	-2.16	-54.73
C#CCCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199033	0	37	-1.0	-46.42	342.23	-0.63	-47.05
CCN1[N-]C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025199034	0	42	-2.0	-90.23	385.33	-2.59	-92.82
C[C@H](CNC(=O)C[N@H+](C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199035	0	49	0.0	-72.35	409.87	1.03	-71.32
C[C@H](CNC(=O)C[N@@H+](C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199035	1	49	0.0	-72.74	409.74	1.05	-71.69
C[C@H](CNC(=O)CN(C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199035	1	48	-1.0	-46.93	407.78	-1.15	-48.08
C[C@H](CNC(=O)CN1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199036	0	41	-1.0	-47.12	356.32	-3.99	-51.11
C[C@H](CNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199036	1	42	0.0	-67.20	360.63	-0.77	-67.97
CC(C)C(O)CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199037	0	45	-1.0	-48.25	383.79	-2.25	-50.50
COC1=NOC(C)=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199038	0	42	-1.0	-49.91	384.73	-3.38	-53.29
C[C@H](CNC(=O)C1=C(Cl)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199039	0	40	-1.0	-46.38	365.28	0.48	-45.90
CCC(CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)SC	REAL300025199040	0	45	-1.0	-46.95	391.17	0.43	-46.52
CC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N=C1	REAL300025199041	0	41	-1.0	-47.22	369.00	-0.68	-47.90
C[C@H](CNC(=O)CC1=CC(=O)NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199042	0	40	-1.0	-57.78	364.87	-4.46	-62.24
CCC1=CSC(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025199043	0	44	-1.0	-49.62	402.69	-0.45	-50.07
C[C@H](CNC(=O)C(O)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199044	0	48	-1.0	-45.74	399.30	-1.22	-46.96
C[C@H](CNC(=O)C1CCCC2=C1C=CS2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199045	0	46	-1.0	-46.67	404.89	1.73	-44.94
C[C@H](CNC(=O)C1=CN=C(F)C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199046	0	38	-1.0	-48.08	356.39	-1.37	-49.45
C[C@H](CNC(=O)CC1=CC=C2NC=CC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199047	0	46	-1.0	-51.12	406.33	1.10	-50.02
C[C@H](CNC(=O)CC1CSCCS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199048	0	44	-1.0	-47.78	397.37	0.91	-46.87
C[C@H](CNC(=O)C(F)(F)C1(O)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199049	0	43	-1.0	-45.66	381.19	-3.12	-48.78
C[C@H](CNC(=O)C1=CC2=CC=NC=C2N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199050	0	42	-1.0	-48.35	378.82	-1.41	-49.76
CCCC(C)(O)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199051	0	45	-1.0	-45.36	383.54	-3.06	-48.42
CCOC(C)(C)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199052	0	45	-1.0	-48.20	381.25	-0.45	-48.65
C[C@H](CNC(=O)CC1=CC=CN=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199053	0	41	-1.0	-51.02	383.93	-0.37	-51.39
CC1=NC(Cl)=CC=C1CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199054	0	44	-1.0	-50.20	403.65	0.16	-50.04
C[C@H](CNC(=O)C1=CC2=CC=CC=C2C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199055	0	44	-1.0	-48.60	393.75	0.95	-47.65
C[C@H](CNC(=O)C1=CC=NC(Cl)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199056	0	38	-1.0	-49.62	366.49	-0.87	-50.49
C[C@H](CNC(=O)CC1CCSCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199057	0	46	-1.0	-46.26	394.66	1.02	-45.24
C[C@H](CNC(=O)C(CO)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199058	0	46	-1.0	-47.24	399.67	-1.25	-48.49
CC1=CC(Cl)=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C=N1	REAL300025199059	0	41	-1.0	-47.67	379.67	-0.28	-47.95
C[C@H](CNC(=O)[C@@H]1C[C@@H]1C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199060	0	46	-1.0	-46.40	394.85	2.33	-44.07
C[C@H](CNC(=O)C1=NC2=NC=CN=C2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199061	0	42	-1.0	-52.40	383.65	-2.04	-54.44
C[C@H](CNC(=O)C1(C)CC1Br)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199062	0	39	-1.0	-46.08	359.86	0.13	-45.95
C[C@H](CNC(=O)CSCC1=CC=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199063	0	45	-1.0	-50.45	414.26	0.68	-49.77
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)SC(CO)=N1	REAL300025199064	0	42	-1.0	-48.41	387.86	-4.50	-52.91
C[C@H](CNC(=O)C1=CC=CC(=S)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199065	0	39	-2.0	-114.68	371.98	0.89	-113.79
CC(=CC1=CC=CN=C1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199066	0	45	-1.0	-47.88	392.56	0.41	-47.47
C[C@H](CNC(=O)CC(F)(F)C1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199067	0	45	-1.0	-49.81	404.36	1.95	-47.86
C[C@H](CNC(=O)C1(C2=NC=CC=C2F)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199068	0	45	-1.0	-48.16	407.26	0.51	-47.65
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025199069	0	46	-1.0	-44.78	381.40	1.31	-43.47
COCC1=NNC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025199070	0	42	-1.0	-48.22	383.62	-3.64	-51.86
C[C@H](CNC(=O)C1=CC=NC(CN(C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199071	0	49	-1.0	-47.39	422.24	-1.69	-49.08
C[C@H](CNC(=O)C1=CC=NC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199071	1	50	0.0	-68.90	424.68	0.83	-68.07
C[C@H](CNC(=O)C1(C2=CC=CN=C2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199072	0	48	-1.0	-47.36	411.44	0.89	-46.47
C[C@H](CNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199073	0	46	0.0	-70.86	389.39	0.34	-70.52
C[C@H](CNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199073	1	46	0.0	-71.16	388.42	0.36	-70.80
C[C@H](CNC(=O)C1=CC=NC2=C1CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199074	0	45	-1.0	-47.76	388.19	0.46	-47.30
C[C@H](CNC(=O)C=CCN1C=NC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199075	0	42	-1.0	-54.00	385.25	1.12	-52.88
CC(C)C1CCC(C)CC1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199076	0	57	-1.0	-44.88	448.50	2.62	-42.26
C[C@H](CNC(=O)C=CC1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199077	0	52	-1.0	-45.31	423.83	2.39	-42.92
CSC1=CC=CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025199078	0	42	-1.0	-46.21	391.04	-0.17	-46.38
C[C@H](CNC(=O)CC1SC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199079	0	39	-2.0	-86.19	374.56	-6.07	-92.26
CC1=NN=C(CCC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025199080	0	43	-1.0	-51.37	388.46	-5.20	-56.57
C[C@H](CNC(=O)C1=NN(CCF)C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199081	0	44	-1.0	-48.85	401.23	-1.47	-50.32
CC1=C(C)NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025199082	0	42	-1.0	-48.77	375.04	-1.76	-50.53
CC(=CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)CN1CCOCC1	REAL300025199083	0	52	-1.0	-46.68	432.52	-2.19	-48.87
C[C@H](CNC(=O)C1=NC=C2C(F)=CC=CN21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199084	0	42	-1.0	-50.09	384.09	0.96	-49.13
CCOC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025199085	0	46	-1.0	-44.89	392.82	-0.77	-45.66
CCOC1(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCOCC1	REAL300025199086	0	50	-1.0	-45.52	413.90	-1.68	-47.20
CC1=NSC(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025199087	0	41	-1.0	-50.22	381.52	-0.50	-50.72
C[C@H](CNC(=O)C1=C(C2CCC2)OC=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199088	0	45	-1.0	-47.61	395.05	-2.09	-49.70
CC(O)C1=CC=CC=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199089	0	46	-1.0	-47.14	392.36	-1.33	-48.47
CC(=CC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CO1	REAL300025199090	0	43	-1.0	-46.66	384.42	0.45	-46.21
CC1=NN(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)O1	REAL300025199091	0	41	-1.0	-54.95	379.26	-4.09	-59.04
C[C@H](CNC(=O)C1=C2SC=CN2N=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199092	0	39	-1.0	-52.04	370.44	-0.89	-52.93
C[C@H](CNC(=O)C1=CC(F)=CNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199093	0	39	-1.0	-52.26	358.92	-2.32	-54.58
C[C@H](CNC(=O)CC1(C)CC1(F)Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199094	0	42	-1.0	-45.44	385.57	0.59	-44.85
C[C@H](CNC(=O)C12CC1COC2(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199095	0	47	-1.0	-47.55	394.65	-0.91	-48.46
C#C[C@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199096	0	38	-1.0	-48.14	348.33	0.02	-48.12
CCN1CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CCC1=O	REAL300025199097	0	49	-1.0	-50.65	413.92	-0.41	-51.06
C[C@H](CNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199098	0	38	-2.0	-92.94	358.03	-5.01	-97.95
C[C@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199099	0	55	0.0	-68.73	442.80	2.11	-66.62
C[C@H](CNC(=O)C1(N=[N+]=[N-])CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199100	0	38	-1.0	-45.28	348.66	-4.06	-49.34
CON1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025199101	0	48	-1.0	-47.18	399.71	-2.23	-49.41
C[C@H](CNC(=O)CN1CCN(C2CC2)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199102	0	49	-1.0	-56.13	422.67	0.29	-55.84
CC(NC(=O)C1=CC=CO1)C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199103	0	46	-1.0	-50.71	413.09	-2.28	-52.99
C[C@H](CNC(=O)C(CO)NC(N)=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199104	0	42	-1.0	-51.38	377.01	-9.48	-60.86
C[C@H](CNC(=O)CSC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199105	0	43	-1.0	-48.25	393.48	1.52	-46.73
C[C@H](CNC(=O)C1CC1(Cl)Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199106	0	36	-1.0	-46.13	358.47	-0.12	-46.25
C[C@H](CNC(=O)CSC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199107	0	45	-1.0	-47.20	394.34	0.51	-46.69
CC1=CC=C([N+](=O)[O-])C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025199108	0	44	-1.0	-52.48	396.06	2.73	-49.75
CC(=O)NC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)C(C)C	REAL300025199109	0	48	-1.0	-48.86	409.64	-1.72	-50.58
C[C@H](CNC(=O)C1=CC(C(C)(F)F)=NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199110	0	42	-1.0	-47.93	387.51	-1.57	-49.50
C[C@H](CNC(=O)C1=CNC(=O)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199111	0	36	-1.0	-52.59	339.25	-4.35	-56.94
C[C@H](CNC(=O)C12CCC(C)(CC1)CO2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199112	0	50	-1.0	-45.25	409.04	-0.11	-45.36
CC(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199113	0	45	-1.0	-45.54	387.31	0.85	-44.69
C[C@H](CNC(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199114	0	48	0.0	-68.15	406.40	-0.13	-68.28
CC1=NN(CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(C)=C1C	REAL300025199115	0	48	-1.0	-52.61	416.56	0.11	-52.50
C[C@H](CNC(=O)C1=CC=NC2=NNC=C21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199116	0	41	-1.0	-52.98	370.62	-1.63	-54.61
C[C@H](CNC(=O)C1=CN=C(Cl)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199117	0	36	-1.0	-46.70	349.36	-2.32	-49.02
CCCC1=CC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300025199118	0	46	-1.0	-46.44	402.35	0.26	-46.18
C[C@H](CNC(=O)C=CCOC1=CC=CC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199119	0	47	-1.0	-48.81	418.08	1.28	-47.53
CCCCC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199120	0	56	0.0	-69.75	455.12	2.32	-67.43
CCCCC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199120	1	56	0.0	-69.78	455.12	2.31	-67.47
C[C@H](CNC(=O)C(C)(C)C1=CC=NC=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199121	0	47	-1.0	-48.19	401.29	0.23	-47.96
C[C@H](CNC(=O)C1=CC2CCCC12)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199122	0	44	-1.0	-45.60	379.90	1.14	-44.46
C[C@H](CNC(=O)C12CC(CO1)CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199124	0	47	-1.0	-45.32	386.65	-0.75	-46.07
COCC1=NOC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025199125	0	41	-1.0	-49.83	379.54	-5.18	-55.01
C[C@H](CNC(=O)CC1CC(O)C12CCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199126	0	50	-1.0	-48.30	417.38	-1.59	-49.89
C[C@H](CNC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199127	0	42	-1.0	-47.58	384.06	-3.32	-50.90
C[C@H](CNC(=O)C1CCC2CCC(=O)N21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199128	0	47	-1.0	-56.32	402.21	-0.75	-57.07
C[C@H](CNC(=O)C(F)C1=CCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199129	0	46	-1.0	-46.95	394.97	1.26	-45.69
C[C@H](CNC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199130	0	52	0.0	-69.08	427.73	1.03	-68.05
C[C@H](CNC(=O)[C@@H](C)C1=CC=C(F)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199131	0	45	-1.0	-47.27	397.28	1.67	-45.60
C[C@H](CNC(=O)C1CC2(CC(F)C2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199132	0	46	-1.0	-46.89	397.13	1.31	-45.58
CCN1N=CN=C1C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199133	0	41	-1.0	-47.29	368.22	-0.33	-47.62
C[C@H](CNC(=O)C(O)CC1=CN(C)C=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199134	0	46	-1.0	-52.41	408.53	-0.99	-53.40
C[C@H](CNC(=O)C12CCCC1C2(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199135	0	43	-1.0	-47.46	379.60	0.78	-46.68
CC(C)C1CC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025199136	0	48	-1.0	-45.40	403.48	1.32	-44.08
C=CCC(C)(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025199137	0	51	0.0	-61.42	406.00	0.83	-60.59
C[C@H](CNC(=O)CC1OCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199138	0	46	-1.0	-48.33	385.41	-0.52	-48.85
C[C@H](CNC(=O)C1=CN=CC2=C1CCCC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199139	0	48	-1.0	-47.39	402.46	1.08	-46.31
C[C@H](CNC(=O)C1=C(Cl)CCOC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199140	0	41	-1.0	-47.22	369.64	-1.28	-48.50
C[C@H](CNC(=O)C1=NC=C2N=CNC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199141	0	41	-1.0	-51.99	373.20	-1.65	-53.64
C[C@H](CNC(=O)C1=NC=C2NC=NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199141	1	41	-1.0	-53.08	373.19	-1.65	-54.73
C[C@H](CNC(=O)C(O)CC[S+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199142	0	47	0.0	-68.72	415.38	-1.54	-70.26
C[C@H](CNC(=O)CCC(O)C(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199143	0	51	-1.0	-45.94	419.39	-1.68	-47.62
C[C@H](CNC(=O)[C@H]1C[C@H](N=[N+]=[N-])C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199144	0	41	-1.0	-45.88	371.75	-3.99	-49.87
C[C@H](CNC(=O)C1=CSC2=C1SN=N2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199145	0	37	-1.0	-49.69	367.20	-1.77	-51.46
C[C@H](CNC(=O)C1CCC(N=[N+]=[N-])C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199146	0	44	-1.0	-47.33	387.63	-3.39	-50.72
C[C@H](CNC(=O)C12CCC(CO1)C2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199147	0	44	-1.0	-45.93	374.91	-1.39	-47.32
C[C@H](CNC(=O)C1C2CCC21)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199148	0	40	-1.0	-45.71	348.16	0.19	-45.52
C[C@H](CNC(=O)C1(C)CCC(C)(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199149	0	54	-1.0	-44.79	422.45	1.92	-42.87
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(CO1)CCC2	REAL300025205211	0	47	-1.0	-45.18	386.78	-0.73	-45.91
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(=O)CC12CCC2	REAL300025205212	0	48	-1.0	-48.04	405.08	0.73	-47.31
COCC1=NOC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025205213	0	41	-1.0	-49.81	379.54	-5.16	-54.97
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC(O)C12CCC2	REAL300025205214	0	50	-1.0	-47.17	416.67	-1.53	-48.70
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2	REAL300025205215	0	42	-1.0	-48.70	384.07	-3.31	-52.01
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC2CCC(=O)N21	REAL300025205216	0	47	-1.0	-58.17	402.21	-0.78	-58.95
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(F)C1=CCCCC1	REAL300025205217	0	46	-1.0	-46.92	394.97	1.26	-45.66
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(N2C=CC=C2)CCCC1	REAL300025205218	0	50	-1.0	-46.34	418.62	2.25	-44.09
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H](C[NH+](C)C)O1	REAL300025205219	0	52	0.0	-68.74	429.24	0.78	-67.96
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H](C)C1=CC=C(F)C=C1	REAL300025205220	0	45	-1.0	-48.11	397.30	1.70	-46.41
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC2(CC(F)C2)C1	REAL300025205221	0	46	-1.0	-47.37	397.15	1.32	-46.05
CCN1N=CN=C1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205222	0	41	-1.0	-46.45	368.22	-0.30	-46.75
CC1=CC(N)=C(C)N=C1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205223	0	46	-1.0	-47.61	396.62	-2.05	-49.66
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)CC1=CN(C)C=N1	REAL300025205224	0	46	-1.0	-52.12	407.42	-0.75	-52.87
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CCCC1C2(F)F	REAL300025205225	0	43	-1.0	-49.04	379.72	0.82	-48.22
CCOC1(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300025205226	0	49	-1.0	-48.37	401.78	0.85	-47.52
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCOC(C)(C)C1	REAL300025205227	0	49	-1.0	-47.48	401.97	-0.63	-48.11
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(F)(F)C1CC1	REAL300025205228	0	39	-1.0	-44.78	356.39	-0.24	-45.02
CC(=O)OC1(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025205229	0	42	-1.0	-52.93	377.37	0.60	-52.33
CCOC1=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)N=C(C)O1	REAL300025205230	0	45	-1.0	-49.24	405.29	-2.47	-51.71
CCCCC[C@H](O)CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205231	0	51	-1.0	-49.08	431.61	-0.45	-49.53
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C2CCCCC2=C1	REAL300025205232	0	48	-1.0	-47.71	408.32	1.07	-46.64
CC(=O)OC(C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C(F)(F)F	REAL300025205233	0	41	-1.0	-49.05	384.65	0.21	-48.84
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCCO	REAL300025205234	0	40	-1.0	-52.30	360.90	-4.73	-57.03
CC(=O)C1=CN(CC(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)N=N1	REAL300025205235	0	43	-1.0	-56.67	395.56	-2.43	-59.10
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NOC(C)(C)C1	REAL300025205236	0	43	-1.0	-46.47	380.71	-1.66	-48.13
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC=C(F)C=N1	REAL300025205237	0	37	-1.0	-47.91	349.59	-2.04	-49.95
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)CF	REAL300025205238	0	41	-1.0	-45.39	358.38	-0.60	-45.99
CC(C)[C@@H](O)CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205239	0	45	-1.0	-48.69	381.55	-2.05	-50.74
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C2SC=CC2=C1	REAL300025205240	0	41	-1.0	-49.22	382.28	-0.13	-49.35
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C([N+](=O)[O-])C=NN1	REAL300025205241	0	38	-1.0	-51.94	355.91	-1.50	-53.44
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC=C1[N+](=O)[O-]	REAL300025205241	1	38	-1.0	-54.49	356.94	-1.53	-56.02
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C(O)=C1	REAL300025205242	0	40	-1.0	-49.32	367.56	-2.37	-51.69
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C([O-])=C1	REAL300025205242	1	39	-2.0	-98.27	363.99	-1.62	-99.89
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC(=O)N(C2CC2)C1	REAL300025205243	0	47	-1.0	-50.89	404.13	-0.41	-51.30
C=CCNC1=NC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300025205244	0	44	-1.0	-45.97	409.54	-1.17	-47.14
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)CO	REAL300025205245	0	42	-1.0	-46.40	362.73	-3.89	-50.29
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=CSC1=[NH2+]	REAL300025205246	0	41	0.0	-65.36	377.60	-1.00	-66.36
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC=C2OCOC2=C1	REAL300025205247	0	45	-1.0	-51.83	401.03	-0.27	-52.10
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1CSCC1=O	REAL300025205248	0	41	-1.0	-53.39	379.24	-1.55	-54.94
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(CO)=C1	REAL300025205249	0	43	-1.0	-49.57	383.15	-2.29	-51.86
C=CCC(C)C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205250	0	42	-1.0	-45.88	367.12	-0.01	-45.89
CC1=CC=CC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1N	REAL300025205251	0	44	-1.0	-45.99	378.05	-0.59	-46.58
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300025205252	0	41	-2.0	-93.51	383.77	0.61	-92.90
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2NCCCC2=C1	REAL300025205253	0	48	-1.0	-48.19	408.15	0.40	-47.79
CSCC1=CC=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300025205254	0	43	-1.0	-47.00	401.20	0.46	-46.54
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300025205255	0	41	-2.0	-87.93	383.78	0.61	-87.32
CC1=CC=CC(N)=C1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205256	0	44	-1.0	-46.76	386.93	-1.33	-48.09
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300025205257	0	34	-2.0	-77.55	338.68	-2.89	-80.44
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(F)(F)C(F)(F)F	REAL300025205257	1	35	-1.0	-44.47	344.44	-1.33	-45.80
CCSC1=CC=CC=C1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205258	0	46	-1.0	-48.24	407.52	2.27	-45.97
COC1=CC=C(O)C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025205259	0	44	-1.0	-49.06	388.63	-1.78	-50.84
CC1=CC=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1C	REAL300025205260	0	46	-1.0	-48.74	396.20	0.18	-48.56
CC(NC(=O)C1=CC=CO1)C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205261	0	46	-1.0	-51.03	413.09	-2.25	-53.28
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(CO)NC(N)=O	REAL300025205262	0	42	-1.0	-51.81	377.02	-9.47	-61.28
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(O)C=C1O	REAL300025205263	0	41	-1.0	-50.38	370.14	-3.90	-54.28
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC1=CC=CC=C1	REAL300025205264	0	43	-1.0	-48.97	393.48	1.52	-47.45
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC1(Cl)Cl	REAL300025205265	0	36	-1.0	-47.36	355.60	-0.04	-47.40
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC(C)(C)C	REAL300025205266	0	45	-1.0	-47.90	394.34	0.50	-47.40
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(Cl)C=C1O	REAL300025205267	0	40	-1.0	-48.07	375.89	-0.55	-48.62
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300025205267	1	39	-2.0	-96.08	372.33	0.46	-95.62
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC(C)S1	REAL300025205268	0	43	-1.0	-46.49	380.38	0.44	-46.05
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC1=CC=CC=C1O	REAL300025205269	0	44	-1.0	-51.18	403.70	-1.29	-52.47
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC=CC=C1CC#N	REAL300025205270	0	46	-1.0	-50.23	411.48	1.94	-48.29
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(O)C1=CC=C(F)C=C1	REAL300025205271	0	46	-1.0	-47.03	404.31	-1.34	-48.37
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(O)CCSC1	REAL300025205272	0	41	-1.0	-47.81	365.67	-3.33	-51.14
CC(=O)C1=CC=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300025205273	0	44	-1.0	-55.12	397.58	0.97	-54.15
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[C@H](O)C1=CC=CC=C1	REAL300025205274	0	46	-1.0	-49.27	403.06	-0.41	-49.68
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(C)COC(=O)OC1	REAL300025205275	0	43	-1.0	-54.35	377.71	-0.61	-54.96
CSC1=CC=CC=C1CC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205276	0	46	-1.0	-48.53	412.42	1.98	-46.55
COC1=CC=C(F)C(N)=C1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205277	0	45	-1.0	-48.83	402.06	-2.43	-51.26
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(O)C1=CC=CC(N)=C1	REAL300025205278	0	45	-1.0	-47.78	398.15	-3.01	-50.79
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=CC1=CC=C(O)C(O)=C1	REAL300025205279	0	45	-1.0	-50.98	406.59	-3.34	-54.32
CC1=CC(C)=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(N)=C1	REAL300025205280	0	47	-1.0	-46.81	408.32	-0.67	-47.48
CNC(=O)N1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205281	0	48	-1.0	-56.65	408.18	-1.31	-57.96
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(O)=CC(=O)N1	REAL300025205282	0	40	-1.0	-52.43	365.82	-5.43	-57.86
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC2=NSN=C2C=C1	REAL300025205283	0	40	-1.0	-50.11	374.43	-1.26	-51.37
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