O=C([O-])C(NCC1=C([O-])C=CC(F)=C1Br)C1=CSC=C1	REAL300012010699	1	29	-2.0	-101.40	295.85	5.22	-96.18
O=C([O-])C(CCCNCC1=CSC(COC2=CC=CC=C2)=N1)C(=O)[O-]	REAL300012050282	1	43	-2.0	-126.74	384.97	6.98	-119.76
O=C([O-])C(CCCNCC1=CSC(COC2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300012050283	1	43	-2.0	-124.66	402.33	7.51	-117.15
CC1=CC=C(OCC2=NC(CNCCCC(C(=O)[O-])C(=O)[O-])=CS2)C=C1	REAL300012050284	1	46	-2.0	-126.74	406.37	7.64	-119.10
COC1=CC=C(OCC2=NC(CNCCCC(C(=O)[O-])C(=O)[O-])=CS2)C=C1	REAL300012050285	1	47	-2.0	-130.39	415.82	6.30	-124.09
O=C([O-])C(CCCNCC1=CN(C2=CC=C(F)C=C2Cl)N=N1)C(=O)[O-]	REAL300012050357	1	39	-2.0	-126.80	365.58	7.28	-119.52
O=C([O-])C(CCCNCC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1)C(=O)[O-]	REAL300012050358	1	39	-2.0	-122.62	359.67	7.33	-115.29
O=C([O-])C(CCC[NH2+]CC1=C([O-])C=CC(Cl)=C1F)C(=O)[O-]	REAL300012050360	0	34	-2.0	-126.34	319.93	6.54	-119.80
O=C([O-])C(CCC[NH2+]CC1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300012050421	0	36	-2.0	-126.51	320.60	7.01	-119.50
O=C([O-])C(CCC[NH2+]CC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300012050426	0	34	-2.0	-128.93	329.04	7.12	-121.81
O=C([O-])C(CCCNCC1=CN(C2=CC=CC=C2)N=N1)C(=O)[O-]	REAL300012050442	1	39	-2.0	-127.00	340.97	6.49	-120.51
O=C([O-])C(CCCNCC1=NN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012050544	1	39	-2.0	-126.60	342.97	6.47	-120.13
CCN(C(C)=O)C1=NC(CNCCCC(C(=O)[O-])C(=O)[O-])=CS1	REAL300012050548	1	42	-2.0	-136.98	366.89	6.48	-130.50
O=C([O-])C(CCCNCC1=NC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012050586	1	32	-2.0	-118.99	313.69	4.98	-114.01
CC1=CC=CC=C1N1C=C(CNCCCC(C(=O)[O-])C(=O)[O-])N=N1	REAL300012050609	1	42	-2.0	-128.28	363.21	7.41	-120.87
O=C([O-])C(CCC[NH2+]CC1=C([O-])C=CC=C1Br)C(=O)[O-]	REAL300012050665	1	34	-2.0	-127.26	315.42	6.48	-120.78
O=C([O-])C(CCCNCC1=CN(C2=CC=C(F)C=C2)N=N1)C(=O)[O-]	REAL300012050669	1	39	-2.0	-126.85	348.48	6.58	-120.27
CC1=CC=NC(CNCCCC(C(=O)[O-])C(=O)[O-])=C1Br	REAL300012050693	1	35	-2.0	-125.18	320.80	5.93	-119.25
O=C([O-])C(CCC[NH2+]CC1=CC(Cl)=CC(Br)=C1[O-])C(=O)[O-]	REAL300012050697	0	34	-2.0	-135.30	334.53	7.27	-128.03
O=C([O-])C(CCC[NH2+]CC1=CC(Br)=CC(F)=C1[O-])C(=O)[O-]	REAL300012050698	0	34	-2.0	-132.25	323.80	6.75	-125.50
O=C([O-])C(CCC[NH2+]CC1=CC(F)=CC(F)=C1[O-])C(=O)[O-]	REAL300012050699	0	34	-2.0	-133.61	309.38	6.21	-127.40
O=C([O-])C(CCCNCC1=CN(C2=CC=CC=C2Br)N=N1)C(=O)[O-]	REAL300012050730	1	39	-2.0	-128.64	358.19	7.17	-121.47
O=C([O-])C(CCCNCC1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300012050763	1	32	-2.0	-121.45	313.71	4.77	-116.68
CCN1C=C(Cl)C(CNCCCC(C(=O)[O-])C(=O)[O-])=N1	REAL300012050878	1	36	-2.0	-125.89	330.13	5.75	-120.14
CC1=NN(C2=CC=CC=C2)N=C1CNCCCC(C(=O)[O-])C(=O)[O-]	REAL300012050888	1	42	-2.0	-126.67	363.46	7.01	-119.66
O=C([O-])C(CCC[NH2+]CC1=C([O-])C=CC(F)=C1Br)C(=O)[O-]	REAL300012050920	1	34	-2.0	-129.32	322.22	6.54	-122.78
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(Br)O1)CC2	REAL300012050970	1	35	-2.0	-148.43	330.08	8.48	-139.95
COC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C(Cl)=C1	REAL300012050979	1	42	-2.0	-144.20	368.78	9.31	-134.89
CC1=CC=C(C2=CC=C(CNC3CCC4=CC(C(=O)[O-])=C(C(=O)[O-])C=C43)O2)C=C1	REAL300012050984	1	48	-2.0	-146.36	409.02	12.10	-134.26
CCC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)O1	REAL300012050989	1	41	-2.0	-147.47	351.55	9.30	-138.17
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(F)=CC=C1F)CC2	REAL300012050990	1	38	-2.0	-142.13	339.09	9.67	-132.46
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(F)C=C1Cl)CC2	REAL300012050991	1	38	-2.0	-143.66	345.71	10.08	-133.58
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(Cl)=CC=C1Cl)CC2	REAL300012050996	1	38	-2.0	-141.38	356.73	10.54	-130.84
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(F)=C(F)C(F)=C1)CC2	REAL300012050997	1	38	-2.0	-142.99	345.55	9.79	-133.20
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(C(F)(F)F)=CC=C1F)CC2	REAL300012050999	1	41	-2.0	-141.95	371.41	10.60	-131.35
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CN=C1Cl)CC2	REAL300012051002	1	37	-2.0	-140.89	336.88	8.13	-132.76
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CSC(C3=CC=CC=N3)=N1)CC2	REAL300012051005	0	43	-2.0	-153.81	387.64	8.45	-145.36
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CC3=C1OCCO3)CC2	REAL300012051006	1	44	-2.0	-144.41	370.49	8.74	-135.67
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CC3=C1OCCCO3)CC2	REAL300012051007	1	47	-2.0	-155.38	389.47	9.58	-145.80
CC(C)C1=NC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=CS1	REAL300012051012	0	43	-2.0	-145.97	374.30	8.64	-137.33
CC(C)(C)C1=NC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=CS1	REAL300012051013	0	46	-2.0	-144.76	394.08	9.08	-135.68
CC1=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)OC=C1	REAL300012051014	1	38	-2.0	-147.87	328.97	8.36	-139.51
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(OC3=CC=CC=C3)O1)CC2	REAL300012051020	1	46	-2.0	-145.53	393.90	11.26	-134.27
CC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)N=C1	REAL300012051021	1	40	-2.0	-146.50	342.92	8.43	-138.07
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NN(C3=CC=CC=C3)C=C1)CC2	REAL300012051023	0	45	-2.0	-152.18	385.40	10.73	-141.45
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=C(Cl)SC=C1)CC2	REAL300012051024	1	35	-2.0	-139.63	332.56	9.12	-130.51
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(Cl)=CC3=C1OCC3)CC2	REAL300012051025	1	43	-2.0	-147.55	379.92	9.92	-137.63
CCOC1=CC=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051028	1	44	-2.0	-145.96	376.40	7.13	-138.83
COC1=CC=C2N=C(CNC3CCC4=CC(C(=O)[O-])=C(C(=O)[O-])C=C43)SC2=C1	REAL300012051033	1	44	-2.0	-148.30	389.05	8.38	-139.92
CN1C2=CC(Cl)=CC=C2N=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051034	1	44	-2.0	-146.89	390.78	10.48	-136.41
CCOC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)N=C1	REAL300012051038	1	44	-2.0	-150.54	373.81	7.93	-142.61
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(C3=CC=CC=C3F)O1)CC2	REAL300012051053	1	45	-2.0	-147.90	396.05	11.53	-136.37
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C([NH2+]CC1=C([O-])C=CC(Cl)=C1F)CC2	REAL300012051060	0	39	-2.0	-157.84	356.28	9.30	-148.54
CCN1N=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C2=CC=CC=C21	REAL300012051061	1	47	-2.0	-148.59	399.39	10.39	-138.20
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(C3=CC=CC=C3)O1)CC2	REAL300012051064	1	45	-2.0	-146.26	387.64	11.41	-134.85
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=C(Br)C=CS1)CC2	REAL300012051070	1	35	-2.0	-142.15	336.22	9.24	-132.91
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(Br)=CO1)CC2	REAL300012051075	1	35	-2.0	-146.43	330.09	8.38	-138.05
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(Cl)C=C1F)CC2	REAL300012051078	1	38	-2.0	-144.38	348.70	10.10	-134.28
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(Cl)=CC=C1F)CC2	REAL300012051080	1	38	-2.0	-142.25	349.43	10.12	-132.13
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CC(Cl)=C1F)CC2	REAL300012051082	1	38	-2.0	-152.83	349.27	10.08	-142.75
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CC(F)=C1F)CC2	REAL300012051083	1	38	-2.0	-142.41	339.28	9.66	-132.75
CN1C2=CC=CC=C2N=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051084	1	44	-2.0	-148.81	374.06	9.97	-138.84
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C([NH2+]CC1=CC([N+](=O)[O-])=CC=C1[O-])CC2	REAL300012051102	0	41	-2.0	-164.70	361.37	9.42	-155.28
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(CSC(F)F)O1)CC2	REAL300012051104	1	42	-2.0	-149.92	388.57	10.15	-139.77
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300012051106	0	39	-2.0	-155.48	366.95	9.75	-145.73
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN(C3=CC=CC=C3)N=N1)CC2	REAL300012051112	0	44	-2.0	-160.23	380.56	9.44	-150.79
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NC(C3=CC=CC=C3)=CS1)CC2	REAL300012051113	1	44	-2.0	-146.77	390.73	10.37	-136.40
COC1=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C2OC(C)CC2=C1	REAL300012051116	1	50	-2.0	-142.02	414.19	9.42	-132.60
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=COC(C3=CC=CC=C3)=N1)CC2	REAL300012051118	0	44	-2.0	-149.20	384.04	7.97	-141.23
CC1=CC=C(F)C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051119	1	41	-2.0	-145.15	354.10	10.27	-134.88
COC1=CC2=C(C=C1CNC1CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C31)OCO2	REAL300012051125	1	45	-2.0	-144.02	381.85	7.52	-136.50
COC1=CC=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051134	1	41	-2.0	-145.76	354.54	6.20	-139.56
CN1C2=CC=C(Cl)C=C2N=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051143	1	44	-2.0	-157.30	391.70	10.50	-146.80
CC1CCC2=C(C1)SC(CNC1CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C31)=N2	REAL300012051144	1	47	-2.0	-144.18	396.72	9.92	-134.26
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=C(Cl)OC3=CC=CC=C31)CC2	REAL300012051150	1	41	-2.0	-140.77	372.14	10.51	-130.26
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NC3=C(CCC3)S1)CC2	REAL300012051151	1	41	-2.0	-146.65	358.28	8.77	-137.88
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(C3=CC=C(F)C=C3)O1)CC2	REAL300012051153	1	45	-2.0	-150.57	394.28	11.57	-139.00
CC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)O1	REAL300012051154	1	38	-2.0	-148.16	330.29	8.57	-139.59
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(CO)O1)CC2	REAL300012051163	1	39	-2.0	-150.22	342.10	5.19	-145.03
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CC=C1Cl)CC2	REAL300012051166	1	38	-2.0	-144.80	339.43	10.05	-134.75
COC1=CC=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1OC	REAL300012051174	1	46	-2.0	-154.52	386.73	8.85	-145.67
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(Cl)C=C1Cl)CC2	REAL300012051175	1	38	-2.0	-143.36	356.04	10.53	-132.83
COC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C(OC)=C1	REAL300012051178	1	46	-2.0	-144.72	385.76	8.23	-136.49
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(F)C=C1F)CC2	REAL300012051180	1	38	-2.0	-144.70	338.38	9.64	-135.06
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CC(Cl)=C1Cl)CC2	REAL300012051181	1	38	-2.0	-150.95	356.98	10.48	-140.47
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CC=C1F)CC2	REAL300012051193	1	38	-2.0	-146.11	332.11	9.63	-136.48
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CC=C1Br)CC2	REAL300012051207	1	38	-2.0	-144.76	343.02	10.14	-134.62
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CO1)CC2	REAL300012051212	1	35	-2.0	-143.42	307.26	7.74	-135.68
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(Cl)O1)CC2	REAL300012051214	1	35	-2.0	-148.47	325.44	8.37	-140.10
CCOC1=CC=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1OC	REAL300012051216	1	49	-2.0	-143.12	408.33	9.70	-133.42
CC1=NC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=CS1	REAL300012051217	0	37	-2.0	-145.32	333.07	7.32	-138.00
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NN(C3=CC=CC=C3)N=C1)CC2	REAL300012051219	0	44	-2.0	-155.54	382.05	9.41	-146.13
COC1=CC2=C(C=C1CNC1CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C31)OC(C)C2	REAL300012051220	1	50	-2.0	-144.91	412.82	9.46	-135.45
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NC=CN1)CC2	REAL300012051223	0	35	-2.0	-153.01	306.83	6.30	-146.71
CN1C=CN=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051224	0	38	-2.0	-153.69	327.92	7.95	-145.74
COC1=CC=C(F)C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051225	1	42	-2.0	-149.47	363.19	8.89	-140.58
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CC3=C1OCO3)CC2	REAL300012051227	1	41	-2.0	-140.52	353.40	8.18	-132.34
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN=CN=C1)CC2	REAL300012051228	1	36	-2.0	-142.37	317.68	7.57	-134.80
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=C(Cl)C=CS1)CC2	REAL300012051229	1	35	-2.0	-142.42	332.05	9.15	-133.27
COC1=CC=C(F)C=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051231	1	42	-2.0	-145.60	362.68	9.00	-136.60
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NNC=C1)CC2	REAL300012051232	0	35	-2.0	-150.81	307.31	5.96	-144.85
COC1=CC=C(Cl)C=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051235	1	42	-2.0	-144.82	373.02	9.45	-135.37
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN=CS1)CC2	REAL300012051236	1	34	-2.0	-144.77	312.79	6.82	-137.95
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CSC=N1)CC2	REAL300012051241	0	34	-2.0	-148.88	312.02	6.57	-142.31
CC1=CC=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1F	REAL300012051242	1	41	-2.0	-151.19	353.52	10.27	-140.92
N#CC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C(F)=C1	REAL300012051243	1	39	-2.0	-146.66	352.75	9.97	-136.69
CN1N=CC=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051245	1	38	-2.0	-146.49	328.64	7.16	-139.33
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(Br)C=N1)CC2	REAL300012051246	1	37	-2.0	-145.16	342.81	8.38	-136.78
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN3C=CC=CC3=N1)CC2	REAL300012051248	1	41	-2.0	-152.50	354.35	10.05	-142.45
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CSC(C3CC3)=N1)CC2	REAL300012051250	0	41	-2.0	-150.86	364.09	8.84	-142.02
CCC1=NC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=CS1	REAL300012051251	0	40	-2.0	-150.14	355.68	8.08	-142.06
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN3C=C(Cl)C=CC3=N1)CC2	REAL300012051252	1	41	-2.0	-148.47	371.08	10.55	-137.92
CN1C=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)N=N1	REAL300012051256	0	37	-2.0	-158.51	324.42	6.12	-152.39
CN1C=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051258	0	38	-2.0	-152.55	330.49	7.32	-145.23
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NC=CN1CC(F)(F)F)CC2	REAL300012051259	0	41	-2.0	-153.03	364.81	9.12	-143.91
CC1=CSC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051260	0	37	-2.0	-144.62	334.21	7.34	-137.28
COC1=CC=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1F	REAL300012051261	1	42	-2.0	-142.04	362.27	8.87	-133.17
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CSC=C1Br)CC2	REAL300012051263	1	35	-2.0	-137.95	336.96	9.02	-128.93
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=COC=N1)CC2	REAL300012051264	0	34	-2.0	-151.77	303.07	4.21	-147.56
CCN1N=CC=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051265	1	41	-2.0	-144.74	348.78	8.10	-136.64
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NC3=C(CCCC3)S1)CC2	REAL300012051266	1	44	-2.0	-145.97	376.18	9.35	-136.62
CC(C)(C)C1=NC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C=N1	REAL300012051270	1	48	-2.0	-143.22	399.38	9.52	-133.70
N#CC1=CC=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051274	1	38	-2.0	-151.71	343.32	8.00	-143.71
COCC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)O1	REAL300012051276	1	42	-2.0	-149.37	364.35	7.59	-141.78
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CSC(Cl)=C1Cl)CC2	REAL300012051278	1	35	-2.0	-142.15	348.82	9.61	-132.54
CC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)N=N1	REAL300012051282	1	39	-2.0	-157.22	339.17	7.32	-149.90
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN=C(C(F)(F)F)S1)CC2	REAL300012051283	1	37	-2.0	-141.59	353.48	7.94	-133.65
CN1N=NC=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051284	1	37	-2.0	-143.48	322.64	5.94	-137.54
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NC=C(Cl)S1)CC2	REAL300012051292	0	34	-2.0	-138.95	329.23	7.29	-131.66
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN=C(C3CC3)N=C1)CC2	REAL300012051296	1	43	-2.0	-148.59	370.07	9.24	-139.35
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NC=C(C(F)(F)F)S1)CC2	REAL300012051304	0	37	-2.0	-139.44	353.03	7.84	-131.60
CC1=CN=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)S1	REAL300012051306	0	37	-2.0	-140.29	334.08	7.47	-132.82
CCC1=CN=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)S1	REAL300012051308	0	40	-2.0	-140.18	355.56	8.25	-131.93
CN(C)C(=O)C1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)N1	REAL300012051317	1	46	-2.0	-148.95	384.70	7.70	-141.25
NC(=O)C1=CSC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051318	1	39	-2.0	-156.08	353.77	5.44	-150.64
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN=C(C3CCCO3)S1)CC2	REAL300012051320	1	45	-2.0	-146.56	391.47	7.78	-138.78
CC1=CC=CC=C1N1C=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)N=N1	REAL300012051321	0	47	-2.0	-158.43	401.18	10.34	-148.09
CN1N=C(Br)C=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051322	1	38	-2.0	-144.16	349.73	7.59	-136.57
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(F)C(Cl)=C1Cl)CC2	REAL300012051325	1	38	-2.0	-151.89	363.06	10.52	-141.37
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NN(C(F)F)C=C1)CC2	REAL300012051326	0	38	-2.0	-154.18	342.89	7.41	-146.77
CC(C)C1=CN=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)S1	REAL300012051327	0	43	-2.0	-140.35	375.94	8.88	-131.47
CC(C)(C)C1=CN=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)S1	REAL300012051328	0	46	-2.0	-144.96	393.97	9.40	-135.56
CSCC1=CN=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)S1	REAL300012051331	0	41	-2.0	-140.81	378.79	8.69	-132.12
CCN1N=C(C)C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051332	0	43	-2.0	-151.13	366.56	7.16	-143.97
CC1=NN(C)C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051334	1	41	-2.0	-143.83	349.95	7.68	-136.15
CC(C)CN1N=CC=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051337	1	47	-2.0	-143.93	390.37	9.58	-134.35
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NN3CCCCC3=C1)CC2	REAL300012051340	0	45	-2.0	-147.97	371.97	8.87	-139.10
COC1=CC(OC)=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C=C1F	REAL300012051342	1	46	-2.0	-147.70	391.77	8.32	-139.38
COC1=CC(F)=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C=C1OC	REAL300012051343	1	46	-2.0	-143.42	390.94	8.83	-134.59
CC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C(Cl)=C1	REAL300012051344	1	41	-2.0	-144.27	360.72	10.67	-133.60
COC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C(F)=C1	REAL300012051346	1	42	-2.0	-145.31	361.45	8.87	-136.44
C=CCCN1C=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)N=N1	REAL300012051352	0	44	-2.0	-157.59	380.18	8.27	-149.32
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=NN1CC1CC1)CC2	REAL300012051353	1	45	-2.0	-146.59	382.36	9.59	-137.00
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CC(OC3CC3)=C1F)CC2	REAL300012051354	1	46	-2.0	-145.00	393.32	10.57	-134.43
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN(C3CCC3)N=N1)CC2	REAL300012051358	0	44	-2.0	-157.31	369.59	8.04	-149.27
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(C(F)(F)F)O1)CC2	REAL300012051360	1	38	-2.0	-149.90	349.55	8.97	-140.93
CN(C)C1=CC(F)=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C=C1F	REAL300012051362	1	46	-2.0	-148.48	394.07	9.17	-139.31
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(F)C(F)=C1F)CC2	REAL300012051363	1	38	-2.0	-155.76	345.78	9.76	-146.00
CCCN1N=CC=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051365	1	44	-2.0	-144.83	370.28	8.85	-135.98
CN1N=C(C(F)(F)F)C=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051366	1	41	-2.0	-144.94	369.18	8.07	-136.87
CN1C=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C(Cl)=N1	REAL300012051371	0	38	-2.0	-149.55	346.94	7.76	-141.79
CN1C=C(C2=NC(CNC3CCC4=CC(C(=O)[O-])=C(C(=O)[O-])C=C43)=CS2)C=N1	REAL300012051374	0	44	-2.0	-151.30	396.88	8.11	-143.19
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=NN1CC1CCC1)CC2	REAL300012051376	1	48	-2.0	-141.47	398.32	10.04	-131.43
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN(C3=CC=C(F)C=C3)N=N1)CC2	REAL300012051377	0	44	-2.0	-157.87	386.72	9.46	-148.41
CN1C=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C(Br)=N1	REAL300012051378	0	38	-2.0	-149.03	351.03	7.81	-141.22
CC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C(F)=C1	REAL300012051379	1	41	-2.0	-145.54	353.38	10.25	-135.29
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN=C(Cl)C(F)=C1)CC2	REAL300012051385	1	37	-2.0	-147.05	345.66	8.27	-138.78
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=C(Br)SC=C1)CC2	REAL300012051386	0	35	-2.0	-139.66	336.84	9.21	-130.45
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CN=C1Br)CC2	REAL300012051387	0	37	-2.0	-140.76	340.75	8.25	-132.51
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(OC(F)F)C=C1F)CC2	REAL300012051389	1	42	-2.0	-150.22	371.20	9.16	-141.06
COC1=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C(F)C=C1C	REAL300012051392	1	45	-2.0	-141.49	381.78	9.67	-131.82
CC(C)(C)C1=CSC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051393	0	46	-2.0	-144.79	393.21	9.33	-135.46
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C([NH2+]CC1=CC(F)=CC(F)=C1[O-])CC2	REAL300012051395	0	39	-2.0	-159.74	346.81	8.82	-150.92
CN1N=C2CCSCC2=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051396	1	46	-2.0	-152.90	392.06	9.27	-143.63
COC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C(F)=C1OC	REAL300012051403	1	46	-2.0	-145.46	395.45	8.90	-136.56
COC(=O)C1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C(F)=C1	REAL300012051404	1	44	-2.0	-146.00	386.71	10.24	-135.76
CC1=COC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051405	1	38	-2.0	-147.76	330.28	8.43	-139.33
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(Cl)C=N1)CC2	REAL300012051406	1	37	-2.0	-145.21	338.24	8.27	-136.94
CC1=CN=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)O1	REAL300012051407	0	37	-2.0	-145.03	324.82	5.09	-139.94
CC(C)(C)C1=COC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051409	0	46	-2.0	-146.37	384.95	6.93	-139.44
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NC=CS1)CC2	REAL300012051412	0	34	-2.0	-144.22	312.44	6.75	-137.47
CN1N=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C2=CC=CC=C21	REAL300012051413	1	44	-2.0	-147.78	377.32	9.45	-138.33
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CSC=C1Cl)CC2	REAL300012051419	1	35	-2.0	-137.97	332.79	8.92	-129.05
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=C(Cl)C=CC3=CC=CN=C31)CC2	REAL300012051420	1	43	-2.0	-145.42	381.16	10.46	-134.96
CC1=CNN=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051424	1	38	-2.0	-146.24	327.37	6.61	-139.63
CC1=CN=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)N1C	REAL300012051425	0	41	-2.0	-148.78	347.68	8.38	-140.40
CN1N=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1Cl	REAL300012051428	0	38	-2.0	-141.48	346.00	7.66	-133.82
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=NC=C1Br)CC2	REAL300012051433	0	37	-2.0	-144.69	338.43	8.37	-136.32
CS(=O)(=O)C1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)S1	REAL300012051434	1	41	-2.0	-154.25	379.60	6.29	-147.96
CC(C)(C)N1N=NC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051435	0	45	-2.0	-151.44	380.76	7.37	-144.07
CC(C)N1C=CN=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051436	0	44	-2.0	-145.24	368.46	9.42	-135.82
CC1=NC=CN=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051440	1	39	-2.0	-150.66	334.02	6.44	-144.22
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=NC=C1Cl)CC2	REAL300012051442	1	37	-2.0	-144.70	334.82	8.27	-136.43
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=NN1C1CCOCC1)CC2	REAL300012051443	1	49	-2.0	-141.93	403.03	8.15	-133.78
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC3=C(C=CNC3=O)O1)CC2	REAL300012051447	1	41	-2.0	-156.83	360.27	7.10	-149.73
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN(CC3CCOC3)N=N1)CC2	REAL300012051449	0	48	-2.0	-160.05	401.79	7.01	-153.04
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN(CC3CCCO3)N=N1)CC2	REAL300012051452	0	48	-2.0	-159.70	402.62	7.20	-152.50
CCCN1C=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)N=N1	REAL300012051453	0	43	-2.0	-158.16	367.37	7.72	-150.44
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN(C3CC3)C=N1)CC2	REAL300012051454	0	42	-2.0	-153.82	358.99	10.26	-143.56
CC1=NSC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051457	1	37	-2.0	-140.04	333.96	7.95	-132.09
CCN1N=CN=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051459	0	40	-2.0	-153.12	345.61	8.74	-144.38
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN=C(C3CC3)O1)CC2	REAL300012051460	1	41	-2.0	-144.38	356.10	6.83	-137.55
CCC1=CNC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051461	0	41	-2.0	-154.27	350.41	7.70	-146.57
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NC=CC3=C1CCCC3)CC2	REAL300012051462	1	47	-2.0	-151.10	380.84	10.11	-140.99
CN1C=CC(C2=NC(CNC3CCC4=CC(C(=O)[O-])=C(C(=O)[O-])C=C43)=CS2)=N1	REAL300012051463	0	44	-2.0	-155.96	396.99	8.00	-147.96
CCC1=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C(Cl)=NN1	REAL300012051466	1	41	-2.0	-147.57	364.10	7.77	-139.80
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=C(C3CC3)NN=C1Cl)CC2	REAL300012051467	1	42	-2.0	-139.58	375.28	8.53	-131.05
CCN1C=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)N=N1	REAL300012051468	0	40	-2.0	-157.93	345.63	6.91	-151.02
CCOC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)O1	REAL300012051470	1	42	-2.0	-148.71	363.24	9.13	-139.58
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CSC(C(F)(F)F)=N1)CC2	REAL300012051471	0	37	-2.0	-148.05	352.18	7.71	-140.34
CCN1C=NC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051472	0	41	-2.0	-149.72	350.43	9.78	-139.94
CC1=C(Cl)C=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1Cl	REAL300012051478	1	41	-2.0	-148.31	374.80	11.03	-137.28
CN1N=C2CCOCC2=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051484	1	46	-2.0	-152.50	382.94	7.21	-145.29
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=NN1C1CCC1)CC2	REAL300012051486	1	45	-2.0	-141.87	376.17	9.33	-132.54
COC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)O1	REAL300012051505	1	39	-2.0	-148.53	341.39	8.19	-140.34
COCCOC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)O1	REAL300012051506	1	46	-2.0	-149.50	396.87	8.36	-141.14
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NN(CCF)C=C1)CC2	REAL300012051507	0	41	-2.0	-151.62	358.41	8.28	-143.34
CN1N=C(C2CC2)C=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051509	1	45	-2.0	-148.86	379.95	9.27	-139.59
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN=C(C3CCOCC3)O1)CC2	REAL300012051511	1	48	-2.0	-143.92	399.66	5.99	-137.93
COC1=NC=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1F	REAL300012051512	1	41	-2.0	-145.64	360.31	6.37	-139.27
CC1=C(C)SC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051515	1	40	-2.0	-145.49	354.57	8.11	-137.38
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN(CC3=CC=CC=C3)N=N1)CC2	REAL300012051516	0	47	-2.0	-159.55	405.81	9.95	-149.60
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CSN=C1)CC2	REAL300012051519	1	34	-2.0	-141.72	312.52	7.21	-134.51
CC1=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)NN=C1C(F)(F)F	REAL300012051520	1	41	-2.0	-146.86	363.20	7.43	-139.43
CC(C)CN1C=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)N=N1	REAL300012051521	0	46	-2.0	-158.18	387.16	8.46	-149.72
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NC(C3CC3)=CS1)CC2	REAL300012051522	0	41	-2.0	-145.02	363.26	8.82	-136.20
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(C(F)(F)F)=NN1)CC2	REAL300012051523	1	38	-2.0	-144.34	347.78	6.96	-137.38
CN1C=C(Cl)C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051525	0	38	-2.0	-148.47	347.05	7.82	-140.65
CCN1C=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051529	0	41	-2.0	-152.00	351.80	8.14	-143.86
CC1=C(C)OC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051531	0	40	-2.0	-147.48	346.60	5.74	-141.74
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(C3CCC3)=NN1)CC2	REAL300012051539	1	45	-2.0	-147.25	374.54	8.47	-138.78
CCCN1C=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051541	0	44	-2.0	-152.03	373.30	8.90	-143.13
CC(C)N1C=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051542	0	44	-2.0	-152.20	370.49	8.65	-143.55
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NN(CC(F)(F)F)C=C1)CC2	REAL300012051544	0	41	-2.0	-154.75	369.68	8.65	-146.10
CN1C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=NC2=C1CCCC2	REAL300012051545	0	48	-2.0	-147.24	390.34	10.29	-136.95
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CC(C(F)F)=C1F)CC2	REAL300012051546	1	41	-2.0	-159.45	366.25	10.53	-148.92
CCOC1=CC=C(Cl)C=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051548	1	45	-2.0	-141.39	394.24	10.33	-131.06
COC1=NN(C)C=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051549	1	42	-2.0	-143.43	363.09	5.27	-138.16
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NC3=C(COCC3)S1)CC2	REAL300012051550	0	42	-2.0	-146.62	367.07	6.94	-139.68
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC3=C(CCCC3)O1)CC2	REAL300012051551	1	45	-2.0	-145.29	370.83	10.43	-134.86
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(F)=CC([N+](=O)[O-])=C1)CC2	REAL300012051552	1	40	-2.0	-144.95	362.67	10.29	-134.66
CC1=COC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051554	0	37	-2.0	-145.21	324.81	4.87	-140.34
CN1C=C(Br)N=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051557	0	38	-2.0	-149.38	349.59	8.42	-140.96
COC1=NC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=CC=C1C	REAL300012051562	1	44	-2.0	-146.14	374.68	6.92	-139.22
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(C3CC3)=NN1)CC2	REAL300012051567	1	42	-2.0	-143.51	359.01	8.00	-135.51
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=NN1C1CC1(F)F)CC2	REAL300012051568	1	42	-2.0	-141.81	371.10	9.09	-132.72
COC1=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C=CS1	REAL300012051569	1	39	-2.0	-143.13	348.09	8.03	-135.10
CC(C)(C#N)C1=NC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)S1	REAL300012051572	1	44	-2.0	-141.46	394.08	8.86	-132.60
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(F)=CC(F)=C1F)CC2	REAL300012051573	1	38	-2.0	-140.47	344.92	9.76	-130.71
CC(C)(C)C1=NNC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051575	1	47	-2.0	-147.30	389.38	8.40	-138.90
CN1N=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1Br	REAL300012051577	0	38	-2.0	-141.60	350.10	7.75	-133.85
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CN=NN1C1CC1)CC2	REAL300012051579	1	41	-2.0	-148.75	354.15	7.62	-141.13
CS(=O)(=O)C1=COC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051591	0	41	-2.0	-147.58	371.19	5.12	-142.46
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(C(F)(F)F)C=C1F)CC2	REAL300012051592	1	41	-2.0	-144.90	370.71	10.58	-134.32
CCN1C=C(Cl)C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051594	0	41	-2.0	-148.74	368.38	8.63	-140.11
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(F)C(Cl)=C1F)CC2	REAL300012051595	1	38	-2.0	-153.71	355.24	10.18	-143.53
CS(=O)(=O)C1=CSC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051598	1	41	-2.0	-149.62	379.64	6.16	-143.46
CC1=NN(C2CCCC2)C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051601	1	51	-2.0	-148.44	415.76	10.68	-137.76
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=NN1CC(F)F)CC2	REAL300012051602	1	41	-2.0	-146.13	361.92	8.37	-137.76
CC1=NN(C2=CC=CC=C2)N=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051604	0	47	-2.0	-148.60	402.32	9.90	-138.70
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NN(C3CCC3)C=C1)CC2	REAL300012051605	0	45	-2.0	-152.60	375.63	9.25	-143.35
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NN(CC(F)F)C=C1)CC2	REAL300012051606	0	41	-2.0	-155.83	363.65	8.45	-147.38
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NN(C3CC3(F)F)C=C1)CC2	REAL300012051607	0	42	-2.0	-156.09	373.32	9.01	-147.08
CC1=CN(C)C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051611	0	41	-2.0	-154.99	350.07	8.60	-146.39
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NN(C3CCCC3)C=C1)CC2	REAL300012051612	0	48	-2.0	-149.01	392.30	9.96	-139.05
NS(=O)(=O)C1=CSC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051613	1	40	-2.0	-149.90	373.25	3.56	-146.34
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=NC=C(Cl)C=C1Cl)CC2	REAL300012051614	0	37	-2.0	-144.02	353.50	8.68	-135.34
CC1=NSC=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051615	1	37	-2.0	-141.53	330.56	7.81	-133.72
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=C(Cl)C(F)=C1F)CC2	REAL300012051619	1	38	-2.0	-154.75	355.67	10.19	-144.56
COC1=C(C#N)C=CC=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051622	1	43	-2.0	-143.14	377.45	9.32	-133.82
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC(F)=CC(Cl)=C1Cl)CC2	REAL300012051625	1	38	-2.0	-139.80	362.54	10.58	-129.22
COC1=CC(C)=NC=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051630	1	44	-2.0	-147.43	372.92	7.81	-139.62
CC(C)N1C=NC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C1	REAL300012051631	0	44	-2.0	-149.26	370.05	10.17	-139.09
CC(C)OC1=CC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)O1	REAL300012051633	1	45	-2.0	-142.94	383.29	9.75	-133.19
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=C(Cl)C(Cl)=CS1)CC2	REAL300012051643	1	35	-2.0	-142.42	348.86	9.56	-132.86
CC1=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C=NS1	REAL300012051644	1	37	-2.0	-141.21	329.51	8.02	-133.19
CC1=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C=NO1	REAL300012051645	1	37	-2.0	-143.19	324.05	7.76	-135.43
CC1=NSC(C)=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051649	1	40	-2.0	-147.29	350.52	8.41	-138.88
CC(F)(F)C1=CC=CC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=N1	REAL300012051653	1	43	-2.0	-145.29	376.48	9.48	-135.81
O=C([O-])C1=CC2=C(C=C1C(=O)[O-])C(NCC1=CC=CC(C(F)(F)F)=C1F)CC2	REAL300012051656	1	41	-2.0	-155.86	371.13	10.62	-145.24
CC1=NC(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)=C(C)S1	REAL300012051661	0	40	-2.0	-144.71	354.28	7.99	-136.72
CCCN1N=C(C)C=C1CNC1CCC2=CC(C(=O)[O-])=C(C(=O)[O-])C=C21	REAL300012051666	1	47	-2.0	-143.90	393.09	9.35	-134.55
CC(C)(C)C1=NC=C(CNC2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)O1	REAL300012051667	1	46	-2.0	-149.88	386.83	7.10	-142.78
O=C([O-])C(NCC1=C([O-])C=CC(Cl)=C1F)C1=CC=NS1	REAL300012080604	0	28	-2.0	-100.08	288.19	3.99	-96.09
O=C([O-])C(NCC1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC=NS1	REAL300012080668	0	30	-2.0	-93.29	296.20	4.13	-89.16
O=C([O-])C(NCC1=CC(Br)=CC(F)=C1[O-])C1=CC=NS1	REAL300012080939	0	28	-2.0	-98.69	294.79	4.19	-94.50
O=C([O-])C(NCC1=CC(F)=CC(F)=C1[O-])C1=CC=NS1	REAL300012080940	0	28	-2.0	-97.81	279.90	3.65	-94.16
O=C([O-])C(NCC1=C([O-])C=CC(F)=C1Br)C1=CC=NS1	REAL300012081155	1	28	-2.0	-96.17	288.84	3.95	-92.22
O=C([O-])C1=CN2CCCC(NCC3=CC([N+](=O)[O-])=CC=C3[O-])C2=N1	REAL300012087615	1	38	-2.0	-110.73	332.04	5.66	-105.07
O=C([O-])C1=CN2CCCC(NCC3=CC(Cl)=CC(Cl)=C3[O-])C2=N1	REAL300012087622	1	36	-2.0	-106.09	337.87	5.93	-100.16
CC(C)(C(=O)[O-])C1=CC=CC(NCC2=C([O-])C=CC(Cl)=C2F)=C1	REAL300012090614	1	38	-2.0	-97.02	334.28	7.77	-89.25
CC(C)(C(=O)[O-])C1=CC=CC(NCC2=CC([N+](=O)[O-])=CC=C2[O-])=C1	REAL300012090689	0	40	-2.0	-97.19	341.36	7.89	-89.30
CC(C)(C(=O)[O-])C1=CC=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300012090696	0	38	-2.0	-101.71	345.90	8.28	-93.43
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CC(C)(C(=O)[O-])C1=CC=CC(NCC2=CC(Br)=CC(F)=C2[O-])=C1	REAL300012091125	1	38	-2.0	-106.74	342.41	7.94	-98.80
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CC(C)C1=CN=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)S1	REAL300012099991	0	43	-2.0	-116.49	373.53	8.44	-108.05
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CC(C)CN1N=CC=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100007	1	47	-2.0	-115.97	387.05	9.12	-106.85
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COC1=CC(F)=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C=C1OC	REAL300012100015	1	46	-2.0	-116.44	389.36	8.32	-108.12
CC1=CC=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C(Cl)=C1	REAL300012100016	1	41	-2.0	-113.93	360.78	10.22	-103.71
COC1=CC=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C(F)=C1	REAL300012100018	1	42	-2.0	-115.54	360.14	8.41	-107.13
COC1=CC=CC(F)=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100020	0	42	-2.0	-115.82	358.44	8.47	-107.35
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CC(C)OC1=CC=C(F)C=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100070	1	48	-2.0	-118.04	400.65	10.06	-107.98
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CC(C)(C)C1=CSC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100076	0	46	-2.0	-117.17	390.55	8.81	-108.36
COCCC1=NC=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)S1	REAL300012100077	1	44	-2.0	-118.62	387.90	6.88	-111.74
O=C([O-])C1=CC(C(=O)[O-])=C2CCC([NH2+]CC3=CC(F)=CC(F)=C3[O-])C2=C1	REAL300012100078	0	39	-2.0	-135.87	345.88	8.41	-127.46
CN1N=C2CCSCC2=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100079	1	46	-2.0	-117.67	389.40	8.75	-108.92
CCOC1=CC=CC(F)=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100086	0	45	-2.0	-117.42	380.30	9.40	-108.02
COC1=CC=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C(F)=C1OC	REAL300012100089	1	46	-2.0	-118.54	393.04	8.43	-110.11
COC(=O)C1=CC=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C(F)=C1	REAL300012100090	1	44	-2.0	-117.24	385.41	9.78	-107.46
CC1=COC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1	REAL300012100092	1	38	-2.0	-114.90	327.62	7.91	-106.99
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC=C(Cl)C=N3)C2=C1	REAL300012100093	1	37	-2.0	-113.93	336.69	7.76	-106.17
CC1=CN=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)O1	REAL300012100095	0	37	-2.0	-118.22	322.40	4.66	-113.56
CC(C)(C)C1=COC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100097	0	46	-2.0	-118.85	382.54	6.47	-112.38
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=NC=CS3)C2=C1	REAL300012100100	0	34	-2.0	-119.73	310.83	6.24	-113.49
CN1N=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C2=CC=CC=C21	REAL300012100101	1	44	-2.0	-118.49	374.92	9.01	-109.48
CN1C(Cl)=NC(Cl)=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100103	0	38	-2.0	-118.23	358.49	8.38	-109.85
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CSC=C3Cl)C2=C1	REAL300012100110	1	35	-2.0	-118.42	331.45	8.50	-109.92
CC1=NN2C(=NC(C)=C2CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)S1	REAL300012100111	1	43	-2.0	-121.43	380.20	8.29	-113.14
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=C(Cl)C=CC4=CC=CN=C43)C2=C1	REAL300012100113	1	43	-2.0	-119.50	378.72	10.02	-109.48
CC1=CNN=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100119	1	38	-2.0	-118.54	324.75	6.10	-112.44
CC1=CN=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)N1C	REAL300012100120	0	41	-2.0	-116.82	345.27	7.94	-108.88
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CON=C3CC3=CC=CC=C3)C2=C1	REAL300012100124	1	47	-2.0	-118.94	401.85	10.85	-108.09
CCC1=NOC=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100125	1	40	-2.0	-116.20	342.52	7.85	-108.35
CN1N=CC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1Cl	REAL300012100126	0	38	-2.0	-117.82	344.69	7.24	-110.58
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC=NC=C3Br)C2=C1	REAL300012100131	0	37	-2.0	-115.73	336.86	7.86	-107.87
CS(=O)(=O)C1=CC=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)S1	REAL300012100132	1	41	-2.0	-123.41	378.05	5.78	-117.63
CC(C)(C)N1N=NC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100134	0	45	-2.0	-121.22	379.43	6.91	-114.31
CC(C)N1C=CN=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100135	0	44	-2.0	-116.10	365.83	8.92	-107.18
CN1N=CC(C(F)(F)F)=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100136	1	41	-2.0	-114.56	364.77	7.65	-106.91
CC1=NC=CN=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100143	1	39	-2.0	-116.50	331.93	5.90	-110.60
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC=NC=C3Cl)C2=C1	REAL300012100145	1	37	-2.0	-115.86	333.25	7.76	-108.10
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC=NN3C3CCOCC3)C2=C1	REAL300012100146	1	49	-2.0	-116.37	400.64	7.71	-108.66
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC4=C(C=CNC4=O)O3)C2=C1	REAL300012100151	1	41	-2.0	-131.58	358.65	6.59	-124.99
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CN(CC4CCOC4)N=N3)C2=C1	REAL300012100154	0	48	-2.0	-120.24	399.42	6.54	-113.70
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CN(CC4CCCO4)N=N3)C2=C1	REAL300012100157	0	48	-2.0	-120.94	399.97	6.68	-114.26
CCCN1C=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)N=N1	REAL300012100158	0	43	-2.0	-118.92	364.70	7.20	-111.72
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CN(C4CC4)C=N3)C2=C1	REAL300012100160	0	42	-2.0	-118.02	356.33	9.74	-108.28
CC1=NSC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1	REAL300012100163	1	37	-2.0	-114.06	331.52	7.50	-106.56
CCN1N=CN=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100165	0	40	-2.0	-116.18	342.93	8.22	-107.96
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CN=C(C4CC4)O3)C2=C1	REAL300012100166	1	41	-2.0	-117.33	353.68	6.39	-110.94
CCC1=CNC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100167	0	41	-2.0	-117.20	347.77	7.18	-110.02
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=NC=CC4=C3CCCC4)C2=C1	REAL300012100168	1	47	-2.0	-121.41	379.24	9.60	-111.81
CC1=NN(C)C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1Cl	REAL300012100169	0	41	-2.0	-114.81	364.04	7.75	-107.06
CN1C=CC(C2=NC(CNC3CCC4=C(C(=O)[O-])C=C(C(=O)[O-])C=C43)=CS2)=N1	REAL300012100170	0	44	-2.0	-124.19	394.58	7.57	-116.62
CCC1=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C(Cl)=NN1	REAL300012100174	1	41	-2.0	-121.47	364.14	7.23	-114.24
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=C(C4CC4)NN=C3Cl)C2=C1	REAL300012100175	1	42	-2.0	-116.49	373.30	8.07	-108.42
CCC1=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C(C)=NO1	REAL300012100176	1	43	-2.0	-114.45	363.73	8.65	-105.80
CCN1C=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)N=N1	REAL300012100177	0	40	-2.0	-119.45	343.19	6.43	-113.02
CCOC1=CC=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)O1	REAL300012100180	1	42	-2.0	-115.05	360.58	8.61	-106.44
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CSC(C(F)(F)F)=N3)C2=C1	REAL300012100181	0	37	-2.0	-116.08	351.69	7.21	-108.87
CCN1C=NC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1	REAL300012100182	0	41	-2.0	-118.44	348.84	9.27	-109.17
CC1=C(Cl)C=CC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1Cl	REAL300012100188	1	41	-2.0	-112.76	372.17	10.52	-102.24
CN1N=C2CCOCC2=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100194	1	46	-2.0	-118.50	380.27	6.70	-111.80
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC=NN3C3CCC3)C2=C1	REAL300012100196	1	45	-2.0	-116.00	373.75	8.89	-107.11
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CON=C3C3CC3)C2=C1	REAL300012100209	1	41	-2.0	-116.45	353.26	8.69	-107.76
COC1=CC=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)O1	REAL300012100218	1	39	-2.0	-115.09	338.72	7.67	-107.42
COCCOC1=CC=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)O1	REAL300012100219	1	46	-2.0	-116.59	394.23	7.85	-108.74
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=NN(CCF)C=C3)C2=C1	REAL300012100221	0	41	-2.0	-119.06	357.05	7.81	-111.25
CN1N=C(C2CC2)C=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100224	1	45	-2.0	-117.32	377.31	8.75	-108.57
CC(C)C1=NOC=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100226	1	43	-2.0	-115.98	363.23	8.37	-107.61
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CN=C(C4CCOCC4)O3)C2=C1	REAL300012100227	1	48	-2.0	-117.54	397.26	5.55	-111.99
COC1=NC=CC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1F	REAL300012100228	1	41	-2.0	-125.31	358.76	5.86	-119.45
CC1=C(C)SC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100231	1	40	-2.0	-117.25	351.91	7.59	-109.66
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CN(CC4=CC=CC=C4)N=N3)C2=C1	REAL300012100232	0	47	-2.0	-120.18	403.12	9.44	-110.74
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CSN=C3)C2=C1	REAL300012100235	1	34	-2.0	-116.69	310.55	6.75	-109.94
CN1N=CC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1S(C)(=O)=O	REAL300012100237	0	44	-2.0	-115.93	374.46	4.43	-111.50
CC1=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)NN=C1C(F)(F)F	REAL300012100238	1	41	-2.0	-115.74	360.79	6.95	-108.79
CC(C)CN1C=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)N=N1	REAL300012100239	0	46	-2.0	-118.77	380.40	7.84	-110.93
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=NC(C4CC4)=CS3)C2=C1	REAL300012100240	0	41	-2.0	-117.41	360.60	8.30	-109.11
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC(C(F)(F)F)=NN3)C2=C1	REAL300012100241	1	38	-2.0	-115.48	346.25	6.45	-109.03
CN1C=C(Cl)C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100243	0	38	-2.0	-121.18	345.48	7.31	-113.87
CS(=O)(=O)C1=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C=CS1	REAL300012100244	0	41	-2.0	-129.86	366.05	6.25	-123.61
CCN1C=CC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100249	0	41	-2.0	-119.83	350.44	7.68	-112.15
CC1=C(C)OC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100251	0	40	-2.0	-120.38	344.62	5.26	-115.12
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC(C4CCC4)=NN3)C2=C1	REAL300012100259	1	45	-2.0	-118.94	373.15	8.01	-110.93
CCCN1C=CC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100261	0	44	-2.0	-119.59	371.94	8.43	-111.16
CC(C)N1C=CC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100262	0	44	-2.0	-118.09	368.05	8.18	-109.91
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=NN(CC(F)(F)F)C=C3)C2=C1	REAL300012100264	0	41	-2.0	-121.12	368.31	8.18	-112.94
CN1C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=NC2=C1CCCC2	REAL300012100265	0	48	-2.0	-122.19	387.70	9.77	-112.42
COC1=NC(Cl)=CC=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100266	1	41	-2.0	-121.17	368.94	6.28	-114.89
CN1C=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C(C(F)(F)F)=N1	REAL300012100267	1	41	-2.0	-123.25	361.66	7.87	-115.38
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC=CC(C(F)F)=C3F)C2=C1	REAL300012100268	1	41	-2.0	-117.11	360.83	9.96	-107.15
CCOC1=CC=C(Cl)C=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100270	1	45	-2.0	-117.92	393.04	9.88	-108.04
COC1=NN(C)C=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100271	1	42	-2.0	-119.98	361.77	4.83	-115.15
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=NC4=C(COCC4)S3)C2=C1	REAL300012100272	0	42	-2.0	-118.55	364.39	6.42	-112.13
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC4=C(CCCC4)O3)C2=C1	REAL300012100274	1	45	-2.0	-118.46	370.32	9.93	-108.53
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC(F)=CC([N+](=O)[O-])=C3)C2=C1	REAL300012100275	1	40	-2.0	-120.83	360.67	9.84	-110.99
CC1=COC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100277	0	37	-2.0	-118.44	322.40	4.44	-114.00
CN1C=C(Br)N=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100280	0	38	-2.0	-117.58	348.26	7.98	-109.60
COC1=NC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=CC=C1C	REAL300012100285	1	44	-2.0	-117.44	373.35	6.49	-110.95
CCCN1C=NC=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100286	1	44	-2.0	-118.88	367.69	10.06	-108.82
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=C(F)C=CC(Cl)=C3F)C2=C1	REAL300012100291	0	38	-2.0	-114.36	351.79	9.63	-104.73
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC(C4CC4)=NN3)C2=C1	REAL300012100292	1	42	-2.0	-118.99	357.68	7.56	-111.43
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC=NN3C3CC3(F)F)C2=C1	REAL300012100293	1	42	-2.0	-116.56	368.69	8.64	-107.92
COC1=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C=CS1	REAL300012100294	1	39	-2.0	-116.26	347.60	7.52	-108.74
CC1=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C(C(F)(F)F)=CO1	REAL300012100295	1	41	-2.0	-115.71	364.63	8.87	-106.84
CCCN1N=C(C)C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1Cl	REAL300012100299	1	47	-2.0	-117.47	408.59	9.40	-108.07
CC(C)(C#N)C1=NC=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)S1	REAL300012100300	1	44	-2.0	-115.85	391.67	8.43	-107.42
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC(F)=CC(F)=C3F)C2=C1	REAL300012100301	1	38	-2.0	-113.88	343.36	9.25	-104.63
CC(C)(C)C1=NNC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1	REAL300012100303	1	47	-2.0	-115.77	386.95	7.93	-107.84
COCC1=CN=C(OC)C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1	REAL300012100307	1	48	-2.0	-118.11	406.27	5.53	-112.58
CN1N=CC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1Br	REAL300012100308	0	38	-2.0	-117.84	348.82	7.31	-110.53
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CN=NN3C3CC3)C2=C1	REAL300012100310	1	41	-2.0	-119.07	351.49	7.10	-111.97
COC1=CC=C(F)C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1OC	REAL300012100316	0	46	-2.0	-118.89	389.31	8.37	-110.52
CC(C)(C)C1=NOC=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100324	1	46	-2.0	-116.25	367.58	8.90	-107.35
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CON=C3C3CCC3)C2=C1	REAL300012100329	1	44	-2.0	-116.33	369.66	9.17	-107.16
CS(=O)(=O)C1=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)SC=C1	REAL300012100330	0	41	-2.0	-124.09	369.23	5.52	-118.57
CS(=O)(=O)C1=COC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1	REAL300012100331	0	41	-2.0	-120.73	368.78	4.68	-116.05
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC=C(C(F)(F)F)C=C3F)C2=C1	REAL300012100332	1	41	-2.0	-113.72	369.39	10.12	-103.60
CCN1C=C(Cl)C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100334	0	41	-2.0	-120.33	367.02	8.16	-112.17
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC=C(F)C(Cl)=C3F)C2=C1	REAL300012100335	1	38	-2.0	-114.57	352.60	9.67	-104.90
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=C(F)C4=CC=CC=C4C=C3)C2=C1	REAL300012100337	1	44	-2.0	-124.25	376.74	11.35	-112.90
CS(=O)(=O)C1=CSC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1	REAL300012100338	1	41	-2.0	-121.59	378.28	5.71	-115.88
CC1=NN(C2CCCC2)C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1	REAL300012100341	1	51	-2.0	-119.14	414.71	10.18	-108.96
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC=NN3CC(F)F)C2=C1	REAL300012100342	1	41	-2.0	-117.54	354.22	8.63	-108.91
CN(C)C1=CC=C([N+](=O)[O-])C=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100343	1	48	-2.0	-117.19	406.68	9.59	-107.60
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=C(F)C=CN=C3Cl)C2=C1	REAL300012100344	0	37	-2.0	-119.18	340.56	7.71	-111.47
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CN(C4=CC=CC(F)=C4)N=C3)C2=C1	REAL300012100345	1	45	-2.0	-118.12	390.20	10.37	-107.75
CN(C)C1=CN=CC(F)=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100346	0	45	-2.0	-112.85	378.80	7.19	-105.66
CC1=NN(C2=CC=CC=C2)N=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100347	0	47	-2.0	-120.22	401.06	9.46	-110.76
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=NN(C4CCC4)C=C3)C2=C1	REAL300012100348	0	45	-2.0	-118.25	373.19	8.77	-109.48
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=NN(CC(F)F)C=C3)C2=C1	REAL300012100349	0	41	-2.0	-121.64	362.28	7.99	-113.65
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=NN(C4CC4(F)F)C=C3)C2=C1	REAL300012100350	0	42	-2.0	-120.68	370.86	8.53	-112.15
CC1=CN(C)C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100354	0	41	-2.0	-118.18	348.48	8.09	-110.09
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=NN(C4CCCC4)C=C3)C2=C1	REAL300012100355	0	48	-2.0	-117.28	389.20	9.37	-107.91
NS(=O)(=O)C1=CSC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1	REAL300012100356	1	40	-2.0	-121.54	371.80	3.11	-118.43
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=NC=C(Cl)C=C3Cl)C2=C1	REAL300012100357	0	37	-2.0	-116.73	351.89	8.17	-108.56
CC1=NSC=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100358	1	37	-2.0	-117.26	327.11	7.31	-109.95
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC=C(Cl)C(F)=C3F)C2=C1	REAL300012100362	1	38	-2.0	-114.92	353.04	9.68	-105.24
COC1=C(C#N)C=CC=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100365	1	43	-2.0	-118.57	375.60	8.89	-109.68
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC(F)=CC(Cl)=C3Cl)C2=C1	REAL300012100368	1	38	-2.0	-112.98	360.98	10.07	-102.91
COC1=CC(C)=NC=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100373	1	44	-2.0	-119.22	371.35	7.29	-111.93
CC(C)N1C=NC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C1	REAL300012100374	0	44	-2.0	-119.24	369.54	9.66	-109.58
CC1=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C(C2CC2)=NO1	REAL300012100376	1	44	-2.0	-117.34	375.32	9.49	-107.85
CC(C)OC1=CC=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)O1	REAL300012100378	1	45	-2.0	-115.29	380.88	9.32	-105.97
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=C(Cl)C=CC4=C3OCO4)C2=C1	REAL300012100379	0	41	-2.0	-115.18	365.05	8.16	-107.02
CCCN1N=C(C)C(Cl)=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100386	0	47	-2.0	-114.05	407.35	9.36	-104.69
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=C(Cl)C(Cl)=CS3)C2=C1	REAL300012100390	1	35	-2.0	-114.80	346.45	9.12	-105.68
CC1=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C=NS1	REAL300012100391	1	37	-2.0	-117.97	329.01	7.52	-110.45
COC1=CC(C)=CC(OC)=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100392	1	49	-2.0	-119.99	403.77	8.48	-111.51
CC1=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C=NO1	REAL300012100393	1	37	-2.0	-116.39	322.72	7.34	-109.05
CC1=NSC(C)=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100398	1	40	-2.0	-118.50	348.53	7.93	-110.57
CC(C)(C)C1=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C=NO1	REAL300012100399	1	46	-2.0	-113.51	366.00	9.12	-104.39
CC(F)(F)C1=CC=CC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=N1	REAL300012100404	1	43	-2.0	-116.59	375.15	9.05	-107.54
O=C([O-])C1=CC(C(=O)[O-])=C2CCC(NCC3=CC=CC(C(F)(F)F)=C3F)C2=C1	REAL300012100407	1	41	-2.0	-115.83	368.48	10.11	-105.72
CC1=NC(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)=C(C)S1	REAL300012100412	0	40	-2.0	-116.53	352.27	7.53	-109.00
CCCN1N=C(C)C=C1CNC1CCC2=C(C(=O)[O-])C=C(C(=O)[O-])C=C21	REAL300012100418	1	47	-2.0	-116.65	390.67	8.91	-107.74
CC(C)(C)C1=NC=C(CNC2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)O1	REAL300012100420	1	46	-2.0	-117.05	384.17	6.58	-110.47
CCOC1=CC(C2=NOC(C3CCC4(CC4C(=O)[O-])C3)=N2)=CC(Cl)=C1[O-]	REAL300012102400	1	43	-2.0	-100.38	379.86	7.89	-92.49
O=C([O-])C1CC12CCC(C1=NC(C3=CC=C([O-])C=C3F)=NO1)C2	REAL300012102435	1	36	-2.0	-97.21	314.83	6.54	-90.67
O=C([O-])C1CC12CCC(C1=NC(C3=CC=C([O-])C(F)=C3)=NO1)C2	REAL300012102449	1	36	-2.0	-95.73	316.59	6.27	-89.46
N[C@@H](CC(=O)[O-])C1=NOC(CN2[N-]C=C3C2=NC=NC3=O)=N1	REAL300012102967	1	31	-2.0	-88.57	289.92	-1.18	-89.75
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C1=NC([C@@H](N)CC(=O)[O-])=NO1	REAL300012103496	1	35	-2.0	-79.81	313.84	-1.75	-81.56
CN1C(=O)C2=CC=C(C3=NC([C@@H](N)CC(=O)[O-])=NO3)C=C2[N-]C1=S	REAL300012104566	1	35	-2.0	-81.68	326.54	2.44	-79.24
CCN1C(=O)C2=CC=C(C3=NC([C@@H](N)CC(=O)[O-])=NO3)C=C2[N-]C1=S	REAL300012104567	1	38	-2.0	-78.48	345.34	3.34	-75.14
N[C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)=N1	REAL300012104615	1	38	-2.0	-88.47	363.78	1.04	-87.43
N[C@@H](CC(=O)[O-])C1=NOC(C[N-]S(=O)(=O)C2=CC=C(Cl)S2)=N1	REAL300012105085	1	31	-2.0	-89.60	329.20	-2.38	-91.98
COC1=CC(C2=NC([C@@H](N)CC(=O)[O-])=NO2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300012105214	1	42	-2.0	-93.56	378.41	-1.75	-95.31
N[C@@H](CC(=O)[O-])C1=NOC(C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)=N1	REAL300012105602	1	38	-2.0	-93.99	366.15	1.07	-92.92
O=C([O-])C1=CC(C2=CC=C(CN3C=CC=N3)C(F)=C2)=CN=C1C(=O)[O-]	REAL300012107219	0	35	-2.0	-140.89	323.40	9.35	-131.54
COCCOCC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107221	0	39	-2.0	-140.05	344.62	7.64	-132.41
CC(C)OCC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107223	0	38	-2.0	-138.50	331.27	9.13	-129.37
CCCOCCOC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107225	0	42	-2.0	-138.22	359.08	8.82	-129.40
O=C([O-])C1=CC(C2=CC=CC=C2OCC2CCOC2)=CN=C1C(=O)[O-]	REAL300012107227	0	40	-2.0	-144.46	342.89	8.24	-136.22
C[NH+]1CCN(CCOC2=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C2)CC1	REAL300012107233	0	44	-2.0	-133.14	361.25	6.14	-127.00
CN1CCN(CCOC2=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C2)CC1	REAL300012107233	1	44	-2.0	-133.14	361.25	6.14	-127.00
CC1=NN(C2=CC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C2)C(C)=C1	REAL300012107236	0	38	-2.0	-136.54	329.91	9.75	-126.79
O=C([O-])C1=CC(C2=CC=C(CN3C=CC=CC3=O)C=C2)=CN=C1C(=O)[O-]	REAL300012107238	0	38	-2.0	-142.79	336.31	10.31	-132.48
O=C([O-])C1=CC(C2=CC(F)=CC=C2OC(F)F)=CN=C1C(=O)[O-]	REAL300012107240	0	29	-2.0	-133.46	280.88	7.52	-125.94
CC1=CC=C(OC2CCCC2)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107242	0	42	-2.0	-141.40	352.21	10.81	-130.59
CC=CCOC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107244	0	36	-2.0	-135.72	316.73	9.23	-126.49
O=C([O-])C1=CC(C2=CC=CC(OC3CCCCC3)=C2)=CN=C1C(=O)[O-]	REAL300012107246	0	42	-2.0	-135.11	342.41	10.36	-124.75
O=C([O-])C=C(C(=O)[O-])C1=CC(F)=CC=C1OCC1=CC=CC=N1	REAL300012107248	0	33	-2.0	-143.65	309.29	9.22	-134.43
O=C([O-])C1=CC(C2=CC(F)=CC=C2OCC2=CC=CC=N2)=CN=C1C(=O)[O-]	REAL300012107249	0	38	-2.0	-140.07	345.73	9.52	-130.55
O=C([O-])C=C(C(=O)[O-])C1=CC(F)=CC=C1OCC1=CC=NC=C1	REAL300012107251	0	33	-2.0	-141.28	311.56	9.16	-132.12
O=C([O-])C1=CC(C2=CC(F)=CC=C2OCC2=CC=NC=C2)=CN=C1C(=O)[O-]	REAL300012107252	0	38	-2.0	-142.15	347.77	9.45	-132.70
O=C([O-])C=C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1	REAL300012107254	0	30	-2.0	-143.58	293.66	10.43	-133.15
O=C([O-])C1=CC(C2=CC=C(C3=CC=CC=C3C(F)(F)F)O2)=CN=C1C(=O)[O-]	REAL300012107255	0	35	-2.0	-146.92	333.59	10.74	-136.18
O=C([O-])C=C(C(=O)[O-])C1=CC=C(OCC2CCCCO2)C=C1	REAL300012107257	0	38	-2.0	-134.28	326.30	9.11	-125.17
O=C([O-])C1=CC(C2=CC=C(OCC3CCCCO3)C=C2)=CN=C1C(=O)[O-]	REAL300012107258	0	43	-2.0	-137.39	357.32	9.11	-128.28
O=C([O-])C=C(C(=O)[O-])C1=CC=C(CN2C=CC(C(F)(F)F)=N2)C=C1	REAL300012107261	0	33	-2.0	-146.35	324.94	10.20	-136.15
O=C([O-])C1=CC(C2=CC=C(CN3C=CC(C(F)(F)F)=N3)C=C2)=CN=C1C(=O)[O-]	REAL300012107262	0	38	-2.0	-142.94	355.97	10.20	-132.74
O=C([O-])C=C(C(=O)[O-])C1=CC=C(CN2CCS(=O)(=O)CC2)C=C1	REAL300012107263	0	38	-2.0	-144.42	335.60	5.22	-139.20
O=C([O-])C1=CC(C2=CC=C(CN3CCS(=O)(=O)CC3)C=C2)=CN=C1C(=O)[O-]	REAL300012107264	0	43	-2.0	-145.31	366.57	5.23	-140.08
O=C([O-])C1=CC(C2=CC=CC(CN3C=CC=N3)=C2)=CN=C1C(=O)[O-]	REAL300012107266	0	35	-2.0	-144.78	317.86	9.34	-135.44
O=C([O-])C1=CC(C2=CC(CN3C=CC=N3)=CC=C2F)=CN=C1C(=O)[O-]	REAL300012107277	0	35	-2.0	-145.23	325.95	9.45	-135.78
O=C([O-])C1=CC(C2=CC=CC(C3=NC=CN3)=C2)=CN=C1C(=O)[O-]	REAL300012107281	0	32	-2.0	-144.08	292.74	8.21	-135.87
CN(C)CC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300012107283	1	36	-2.0	-134.14	311.15	7.00	-127.14
O=C([O-])C1=CC(C2=CC=C(N3CCCC3)N=C2)=CN=C1C(=O)[O-]	REAL300012107285	0	36	-2.0	-137.83	308.05	7.60	-130.23
CN(CC1=CC=CC(C(=CC(=O)[O-])C(=O)[O-])=C1)C1=CC=CC=C1	REAL300012107288	0	38	-2.0	-145.49	327.91	11.76	-133.73
CN(CC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1)C1=CC=CC=C1	REAL300012107289	0	43	-2.0	-140.82	362.32	11.88	-128.94
COC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1Cl	REAL300012107291	0	29	-2.0	-133.05	279.56	7.55	-125.50
O=C([O-])C1=CC(C2=CC=CC(OC3CCCC3)=C2)=CN=C1C(=O)[O-]	REAL300012107293	0	39	-2.0	-135.39	324.68	9.75	-125.64
CCOC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1OCC	REAL300012107297	0	39	-2.0	-136.35	336.43	8.75	-127.60
CC(C)CCOC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107299	0	41	-2.0	-135.28	342.68	9.89	-125.39
O=C([O-])C1=CC(C2=CC3=C(C=C2)OC2=C3C=CC=C2)=CN=C1C(=O)[O-]	REAL300012107301	0	34	-2.0	-138.08	308.28	10.39	-127.69
CC1=C2SC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=CC2=CC=C1	REAL300012107303	0	31	-2.0	-139.16	294.30	9.95	-129.21
O=C([O-])C1=CC(C2=CC=C(C(F)(F)F)C(F)=C2)=CN=C1C(=O)[O-]	REAL300012107308	0	28	-2.0	-133.85	278.34	8.74	-125.11
CC(C)CCOC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107313	0	41	-2.0	-134.98	342.66	9.89	-125.09
COC1=CC=C(C2=CC=NC=C2)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107315	0	38	-2.0	-142.30	334.07	8.84	-133.46
O=C([O-])C=C(C(=O)[O-])C1=CC=CC(OCCC2=CC=CC=C2)=C1	REAL300012107317	0	37	-2.0	-138.39	332.41	11.64	-126.75
O=C([O-])C1=CC(C2=CC=CC(OCCC3=CC=CC=C3)=C2)=CN=C1C(=O)[O-]	REAL300012107318	0	42	-2.0	-135.65	363.51	11.61	-124.04
O=C([O-])C=C(C(=O)[O-])C1=CC=CC=C1OCCC1=CC=CC=C1	REAL300012107320	0	37	-2.0	-146.27	332.03	11.65	-134.62
O=C([O-])C1=CC(C2=CC=CC=C2OCCC2=CC=CC=C2)=CN=C1C(=O)[O-]	REAL300012107321	0	42	-2.0	-140.21	368.06	11.92	-128.29
O=C([O-])C=C(C(=O)[O-])C1=CC(F)=CC=C1OCC1CCCCO1	REAL300012107323	0	38	-2.0	-147.35	332.22	9.21	-138.14
O=C([O-])C1=CC(C2=CC(F)=CC=C2OCC2CCCCO2)=CN=C1C(=O)[O-]	REAL300012107324	0	43	-2.0	-143.60	368.24	9.48	-134.12
O=C([O-])C=C(C(=O)[O-])C1=CC(F)=CC=C1OCC1CCOCC1	REAL300012107326	0	38	-2.0	-141.70	330.43	8.83	-132.87
O=C([O-])C1=CC(C2=CC(F)=CC=C2OCC2CCOCC2)=CN=C1C(=O)[O-]	REAL300012107327	0	43	-2.0	-140.16	367.30	9.15	-131.01
CCCOC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(F)=C1	REAL300012107329	0	35	-2.0	-133.51	314.87	8.79	-124.72
O=C([O-])C1=CC(C2=CC=C(OCC3=CC=CC=N3)C=C2)=CN=C1C(=O)[O-]	REAL300012107334	0	38	-2.0	-139.31	334.79	9.14	-130.17
O=C([O-])C=C(C(=O)[O-])C1=CC=CC=C1OCC1=CC=C(F)C=C1Cl	REAL300012107335	0	34	-2.0	-143.35	329.69	11.50	-131.85
CC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1OC1CCOC1	REAL300012107337	0	40	-2.0	-138.46	339.51	8.04	-130.42
O=C([O-])C1=CC(C2=CC=C(OC3CCOC3)C=C2)=CN=C1C(=O)[O-]	REAL300012107339	0	37	-2.0	-138.07	315.88	7.18	-130.89
COCCOC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107341	0	36	-2.0	-138.09	315.72	7.06	-131.03
O=C([O-])C=C(C(=O)[O-])C1=CC(F)=CC=C1OCC1CCCO1	REAL300012107343	0	35	-2.0	-149.63	314.10	8.35	-141.28
O=C([O-])C1=CC(C2=CC(F)=CC=C2OCC2CCCO2)=CN=C1C(=O)[O-]	REAL300012107344	0	40	-2.0	-144.13	350.13	8.62	-135.51
O=C([O-])C=C(C(=O)[O-])C1=CC(F)=CC=C1OCCC1=CC=CC=C1	REAL300012107346	0	37	-2.0	-141.03	338.43	11.71	-129.32
O=C([O-])C1=CC(C2=CC(F)=CC=C2OCCC2=CC=CC=C2)=CN=C1C(=O)[O-]	REAL300012107347	0	42	-2.0	-138.28	374.38	11.99	-126.29
O=C([O-])C=C(C(=O)[O-])C1=CC(F)=CC=C1OCC1CCOC1	REAL300012107349	0	35	-2.0	-144.82	313.22	8.03	-136.79
O=C([O-])C1=CC(C2=CC(F)=CC=C2OCC2CCOC2)=CN=C1C(=O)[O-]	REAL300012107350	0	40	-2.0	-143.20	349.13	8.30	-134.90
O=C([O-])C=C(C(=O)[O-])C1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012107352	0	34	-2.0	-142.71	320.25	11.09	-131.62
O=C([O-])C1=CC(C2=CC=CC=C2OCC2=CC=C(F)C=C2F)=CN=C1C(=O)[O-]	REAL300012107353	0	39	-2.0	-138.88	356.69	11.39	-127.49
O=C([O-])C1=CC(C2=CC=C(OC3CCCC3)C=C2)=CN=C1C(=O)[O-]	REAL300012107355	0	39	-2.0	-135.95	326.43	9.80	-126.15
O=C([O-])C=C(C(=O)[O-])C1=CC=CC(CN2CCS(=O)(=O)CC2)=C1	REAL300012107356	0	38	-2.0	-144.13	335.63	5.22	-138.91
O=C([O-])C1=CC(C2=CC=CC(CN3CCS(=O)(=O)CC3)=C2)=CN=C1C(=O)[O-]	REAL300012107357	0	43	-2.0	-148.02	369.89	5.35	-142.67
COCCC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107364	0	35	-2.0	-136.21	307.39	8.07	-128.14
COCCOC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107366	0	36	-2.0	-137.77	315.75	7.06	-130.71
O=C([O-])C1=CC(C2=CC=C(CO)C(Cl)=C2)=CN=C1C(=O)[O-]	REAL300012107369	0	29	-2.0	-135.80	280.00	5.66	-130.14
CSCC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107371	0	32	-2.0	-138.52	300.20	9.56	-128.96
O=C([O-])C1=CC(C2=CC=CC=C2COC2=CC=CC=C2)=CN=C1C(=O)[O-]	REAL300012107373	0	39	-2.0	-136.70	340.17	10.88	-125.82
O=C([O-])C=C(C(=O)[O-])C1=CC=CC=C1COC1=CC=C(F)C=C1	REAL300012107375	0	34	-2.0	-137.49	310.39	10.83	-126.66
O=C([O-])C1=CC(C2=CC=CC=C2COC2=CC=C(F)C=C2)=CN=C1C(=O)[O-]	REAL300012107376	0	39	-2.0	-135.49	346.58	10.95	-124.54
CSCC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107378	0	32	-2.0	-138.52	300.20	9.56	-128.96
CCCSCC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107380	0	38	-2.0	-138.31	343.16	11.25	-127.06
O=C([O-])C1=CC(C2=CC=CC=C2OC2CCCCC2)=CN=C1C(=O)[O-]	REAL300012107382	0	42	-2.0	-141.18	346.66	10.69	-130.49
COCC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300012107384	0	32	-2.0	-133.92	292.83	7.64	-126.28
COCCC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107386	0	35	-2.0	-137.69	310.64	8.19	-129.50
O=C([O-])C1=CC(C2=CC=CC=C2CC2=CC=CC=C2)=CN=C1C(=O)[O-]	REAL300012107392	0	38	-2.0	-148.74	331.30	11.72	-137.02
CC1=CC(C(=CC(=O)[O-])C(=O)[O-])=CC=C1OCCN1CCOCC1	REAL300012107394	0	43	-2.0	-136.18	359.83	7.16	-129.02
CC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1OCCN1CCOCC1	REAL300012107395	0	48	-2.0	-138.93	394.12	7.30	-131.63
O=C([O-])C1=CC(C2=CC=C(Cl)C3=CC=CC=C32)=CN=C1C(=O)[O-]	REAL300012107397	0	31	-2.0	-132.74	292.28	10.15	-122.59
CC(C)(C)C(=O)NC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300012107399	0	40	-2.0	-149.73	345.29	8.30	-141.43
O=C([O-])C1=CC(C2=CC=C(Cl)C=C2Cl)=CN=C1C(=O)[O-]	REAL300012107401	0	25	-2.0	-130.05	266.31	8.58	-121.47
COC1=CC(C)=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300012107405	0	35	-2.0	-135.75	302.05	8.20	-127.55
CC(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(F)=C1	REAL300012107408	0	30	-2.0	-135.70	283.24	8.16	-127.54
O=C([O-])C1=CC(C2=CC(Cl)=CC=C2Cl)=CN=C1C(=O)[O-]	REAL300012107410	0	25	-2.0	-132.38	266.26	8.59	-123.79
O=C([O-])C1=CC(C2=CC=CC=C2C(F)(F)F)=CN=C1C(=O)[O-]	REAL300012107412	0	28	-2.0	-137.38	267.34	8.40	-128.98
O=C([O-])C1=CC(C2=CC(Cl)=CC(Cl)=C2)=CN=C1C(=O)[O-]	REAL300012107414	0	25	-2.0	-131.97	267.53	8.71	-123.26
O=C([O-])C1=CC(C2=CC=CC(C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012107416	0	28	-2.0	-132.33	269.48	8.56	-123.77
O=C([O-])C1=CC(C2=CC=C(C(F)(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012107418	0	28	-2.0	-131.88	269.52	8.56	-123.32
COC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1OC	REAL300012107420	0	33	-2.0	-141.53	298.20	7.18	-134.35
COC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1OC	REAL300012107422	0	33	-2.0	-136.68	292.72	6.91	-129.77
O=C([O-])C1=CC(C2=CC=CC=C2OC(F)(F)F)=CN=C1C(=O)[O-]	REAL300012107427	0	29	-2.0	-135.07	281.30	7.67	-127.40
O=C([O-])C1=CC(C2=CC=C(OCC3CC3)C=C2)=CN=C1C(=O)[O-]	REAL300012107429	0	36	-2.0	-135.54	313.79	9.37	-126.17
O=C([O-])C1=CC(C2=CC=CC=C2OCC2CC2)=CN=C1C(=O)[O-]	REAL300012107432	0	36	-2.0	-140.71	318.28	9.68	-131.03
O=C([O-])C1=CC(C2=CC=C(Cl)C(Cl)=C2)=CN=C1C(=O)[O-]	REAL300012107434	0	25	-2.0	-131.22	265.97	8.66	-122.56
O=C([O-])C1=CC(C2=CC=C(CN3C=CN=C3)C=C2)=CN=C1C(=O)[O-]	REAL300012107436	0	35	-2.0	-142.02	314.11	10.82	-131.20
CC(C)(C)OC(=O)N1C=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107438	0	38	-2.0	-151.24	327.19	8.86	-142.38
CCC(C)OC1=CC=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107440	0	38	-2.0	-141.02	325.15	9.52	-131.50
COC1=C2OC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=CC2=CC=C1	REAL300012107442	0	32	-2.0	-142.64	292.66	7.52	-135.12
CC(=O)NC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300012107444	0	31	-2.0	-150.24	286.22	6.26	-143.98
CC1=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300012107446	0	34	-2.0	-140.80	301.72	10.47	-130.33
O=C([O-])C1=CC(C2=CC=C(C(F)(F)F)S2)=CN=C1C(=O)[O-]	REAL300012107448	0	25	-2.0	-132.04	264.53	7.96	-124.08
CC1=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300012107450	0	33	-2.0	-135.19	291.92	8.42	-126.77
CC(C)(O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107452	0	35	-2.0	-135.24	299.82	6.26	-128.98
COCC(C)OC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107455	0	39	-2.0	-137.90	332.19	7.75	-130.15
O=C([O-])C1=CC(C2=CC=NC3=CC(Cl)=CC=C32)=CN=C1C(=O)[O-]	REAL300012107459	0	30	-2.0	-129.10	290.00	8.37	-120.73
COC1=NC=C(Cl)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107462	0	28	-2.0	-132.21	279.15	5.09	-127.12
O=C([O-])C1=CC(C2=CC=C3OC(F)(F)OC3=C2)=CN=C1C(=O)[O-]	REAL300012107466	0	28	-2.0	-131.00	273.65	6.78	-124.22
O=C([O-])C=C(C(=O)[O-])C1=CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300012107469	0	39	-2.0	-135.79	345.62	10.42	-125.37
O=C([O-])C1=CC(C2=CCN(C(=O)OCC3=CC=CC=C3)CC2)=CN=C1C(=O)[O-]	REAL300012107470	0	44	-2.0	-136.99	387.51	10.84	-126.15
COC(=O)C1=CC(C(=CC(=O)[O-])C(=O)[O-])=CN1C(=O)OC(C)(C)C	REAL300012107471	0	39	-2.0	-126.98	340.56	9.65	-117.33
COC(=O)C1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CN1C(=O)OC(C)(C)C	REAL300012107472	0	44	-2.0	-138.96	377.51	9.89	-129.07
CN1N=C(C(F)(F)F)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107474	0	28	-2.0	-125.42	273.18	6.12	-119.30
CC(=O)N1N=CC2=CC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C21	REAL300012107476	0	33	-2.0	-143.27	302.35	7.68	-135.59
O=C([O-])C1=CC(C2=CC=CC3=C2OC(F)(F)O3)=CN=C1C(=O)[O-]	REAL300012107478	0	28	-2.0	-136.63	280.22	7.03	-129.60
N#CC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1Cl	REAL300012107480	0	26	-2.0	-131.90	270.25	8.49	-123.41
CN1C(=O)NC2=CC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C21	REAL300012107482	0	32	-2.0	-137.47	292.05	6.55	-130.92
CS(=O)(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107484	0	31	-2.0	-141.27	291.47	5.09	-136.18
CCOC(=O)C1=NNC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107487	0	31	-2.0	-128.96	292.52	5.74	-123.22
O=C([O-])C1=CC(C2=CC=CC(Cl)=C2Cl)=CN=C1C(=O)[O-]	REAL300012107489	0	25	-2.0	-137.60	264.82	8.58	-129.02
CN1C=C(COC2=CC=CC(C(=CC(=O)[O-])C(=O)[O-])=C2)C=N1	REAL300012107493	0	34	-2.0	-144.31	313.74	8.64	-135.67
CN1C=C(COC2=CC=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=C2)C=N1	REAL300012107494	0	39	-2.0	-142.23	348.14	8.73	-133.50
O=C([O-])C1=CC(C2=CC=CC(COC3CCOC3)=C2)=CN=C1C(=O)[O-]	REAL300012107496	0	40	-2.0	-138.35	343.11	7.72	-130.63
C=CCCOC1=CC=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107498	0	36	-2.0	-139.85	320.96	9.46	-130.39
O=C([O-])C1=CC(C2=CC=C(OC(F)F)C=C2F)=CN=C1C(=O)[O-]	REAL300012107500	0	29	-2.0	-135.38	281.26	7.35	-128.03
O=C([O-])C=C(C(=O)[O-])C1=CC(F)=CC=C1OCC(F)(F)F	REAL300012107502	0	27	-2.0	-142.28	276.34	8.34	-133.94
O=C([O-])C1=CC(C2=CC(F)=CC=C2OCC(F)(F)F)=CN=C1C(=O)[O-]	REAL300012107503	0	32	-2.0	-142.63	312.55	8.63	-134.00
O=C([O-])C1=CC(C2=CC=C(SC(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012107506	0	29	-2.0	-137.18	280.57	8.82	-128.36
CCCN1N=C(C)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300012107508	0	37	-2.0	-136.47	327.72	8.41	-128.06
O=C([O-])C=C(C(=O)[O-])C1=CC(F)=CC(COC2CCCCC2)=C1	REAL300012107510	0	40	-2.0	-134.21	348.41	10.56	-123.65
O=C([O-])C1=CC(C2=CC(F)=CC(COC3CCCCC3)=C2)=CN=C1C(=O)[O-]	REAL300012107511	0	45	-2.0	-136.59	379.32	11.12	-125.47
CC(C)COC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300012107513	0	37	-2.0	-135.98	324.70	6.83	-129.15
CC1=CC(OC(F)F)=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107515	0	32	-2.0	-137.02	291.81	7.72	-129.30
COC1=CC(OC(F)F)=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107517	0	33	-2.0	-139.45	303.93	6.76	-132.69
CC(C)C1=CC=C2SC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=CC2=C1	REAL300012107519	0	37	-2.0	-137.72	334.07	11.22	-126.50
CSC1=CC(C)=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300012107521	0	31	-2.0	-133.55	294.05	7.76	-125.79
O=C([O-])C=C(C(=O)[O-])C1=CC=CC(CN2CCCS2(=O)=O)=C1	REAL300012107525	0	35	-2.0	-162.16	322.76	6.63	-155.53
O=C([O-])C1=CC(C2=CC=CC(CN3CCCS3(=O)=O)=C2)=CN=C1C(=O)[O-]	REAL300012107526	0	40	-2.0	-149.79	353.87	6.61	-143.18
CC1=NN(CC2=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C2)C(C)=C1	REAL300012107528	0	36	-2.0	-139.22	324.84	10.25	-128.97
CC1=CC(C)=NN1CC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107529	0	41	-2.0	-142.26	355.88	10.27	-131.99
CN(C)C1=CC=CC2=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=CC=C12	REAL300012107531	0	39	-2.0	-135.62	331.38	9.60	-126.02
CSC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1N	REAL300012107533	0	31	-2.0	-136.19	283.40	6.54	-129.65
O=C([O-])C=C(C(=O)[O-])C1=CC=C(CSC2=NNC=N2)C=C1	REAL300012107537	0	30	-2.0	-138.87	295.81	9.46	-129.41
O=C([O-])C1=CC(C2=CC=C(CSC3=NNC=N3)C=C2)=CN=C1C(=O)[O-]	REAL300012107538	0	35	-2.0	-143.22	330.59	9.65	-133.57
CN(C)CC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300012107540	1	36	-2.0	-132.53	306.83	6.85	-125.68
O=C([O-])C1=CC(C2=NNC(C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012107544	0	25	-2.0	-132.29	256.51	5.10	-127.19
O=C([O-])C1=CC(C2=CC(C(F)(F)F)=NN2)=CN=C1C(=O)[O-]	REAL300012107544	1	25	-2.0	-125.94	255.48	5.11	-120.83
CC(C)(C)OC(=O)N1CCC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300012107546	0	43	-2.0	-140.41	357.44	8.76	-131.65
CC(C)(C)C1CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300012107548	0	41	-2.0	-134.17	323.18	10.10	-124.07
O=C([O-])C=C(C(=O)[O-])C1=CC=C(S(=O)(=O)NCCO)C=C1	REAL300012107550	0	32	-2.0	-134.17	304.76	1.08	-133.09
O=C([O-])C1=CC(C2=CC=C(S(=O)(=O)NCCO)C=C2)=CN=C1C(=O)[O-]	REAL300012107551	0	37	-2.0	-138.78	339.54	1.27	-137.51
O=C([O-])C=C(C(=O)[O-])C1=CC=CC(OCC2=CC=CC=C2)=C1CO	REAL300012107554	0	38	-2.0	-141.14	336.60	8.68	-132.46
O=C([O-])C1=CC(C2=CC=CC(OCC3=CC=CC=C3)=C2CO)=CN=C1C(=O)[O-]	REAL300012107555	0	43	-2.0	-140.72	373.66	8.42	-132.30
O=C([O-])C1=CC(C2=CC([N+](=O)[O-])=CC=C2CO)=CN=C1C(=O)[O-]	REAL300012107557	0	31	-2.0	-133.50	289.90	5.67	-127.83
CC1=CC(C)=C(OCC2=CC=CC=C2)C(C(=CC(=O)[O-])C(=O)[O-])=C1	REAL300012107562	0	40	-2.0	-155.98	353.43	12.34	-143.64
CC1=CC(C)=C(OCC2=CC=CC=C2)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107563	0	45	-2.0	-145.61	389.66	12.60	-133.01
O=C([O-])C1=CC(C2=CSC=C2C(F)(F)F)=CN=C1C(=O)[O-]	REAL300012107566	0	25	-2.0	-141.85	262.67	7.66	-134.19
CC(C)(O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(F)=C1	REAL300012107568	0	35	-2.0	-134.69	311.06	6.46	-128.23
O=C([O-])C1=CC(C2=CC=C3C=CC(=O)NC3=C2)=CN=C1C(=O)[O-]	REAL300012107571	0	31	-2.0	-139.32	285.45	6.73	-132.59
O=C([O-])C1=CC(C2=CC(F)=CC(CN3C=CN=C3)=C2)=CN=C1C(=O)[O-]	REAL300012107573	0	35	-2.0	-142.83	323.78	11.01	-131.82
O=C([O-])C1=CC(C2=C3OCCOC3=CS2)=CN=C1C(=O)[O-]	REAL300012107575	0	28	-2.0	-136.40	265.92	5.54	-130.86
COC(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300012107579	0	33	-2.0	-138.19	316.69	8.94	-129.25
COC(=O)C1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300012107581	0	33	-2.0	-135.59	317.01	9.01	-126.58
CC(C)OC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107586	0	35	-2.0	-136.36	300.84	8.46	-127.90
CC1=NC2=CC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C2C=C1	REAL300012107588	0	33	-2.0	-139.95	296.74	8.67	-131.28
O=C([O-])C1=CC(C2=C(F)C3=CC=CC=C3C=C2)=CN=C1C(=O)[O-]	REAL300012107590	0	31	-2.0	-137.29	287.23	9.98	-127.31
COC(=O)C1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1O	REAL300012107593	0	32	-2.0	-135.99	297.64	6.38	-129.61
O=C([O-])C1=CC(C2=CC=C(OC(F)F)N=C2)=CN=C1C(=O)[O-]	REAL300012107595	0	28	-2.0	-140.57	272.33	5.10	-135.47
O=C([O-])C1=CC(C2=CN=CC(N3C=CC=N3)=C2)=CN=C1C(=O)[O-]	REAL300012107597	0	31	-2.0	-136.38	284.38	6.97	-129.41
O=C([O-])C1=CC(C2=CC=C(C3=CON=C3)C=C2)=CN=C1C(=O)[O-]	REAL300012107599	0	31	-2.0	-139.41	283.95	8.57	-130.84
CCCOC1=CN=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107602	0	34	-2.0	-132.87	298.69	6.78	-126.09
O=C([O-])C1=CC(C2=CC=C(F)C=C2[N+](=O)[O-])=CN=C1C(=O)[O-]	REAL300012107605	0	27	-2.0	-136.91	268.45	8.34	-128.57
CCOC(=O)C1=CN=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107607	0	33	-2.0	-132.51	302.59	7.37	-125.14
O=C([O-])C1=CC(C2=CC=C(SC(F)(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012107609	0	29	-2.0	-131.57	287.15	9.02	-122.55
COC(=O)C1=CC(O)=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107611	0	32	-2.0	-137.78	299.86	5.48	-132.30
COC1=C2OC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=CC2=CC=C1	REAL300012107613	0	32	-2.0	-142.64	292.66	7.52	-135.12
CNC(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C	REAL300012107615	0	35	-2.0	-135.37	303.16	6.52	-128.85
O=C([O-])C1=CC(C2=CC=C(C3(CO)CC3)C=C2)=CN=C1C(=O)[O-]	REAL300012107617	0	36	-2.0	-140.34	319.71	7.05	-133.29
O=C([O-])C1=CC(C2=CC=CC(OC(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012107619	0	29	-2.0	-131.19	276.74	7.36	-123.83
O=C([O-])C1=CC(C2=CC=C(OC(F)F)C(F)=C2)=CN=C1C(=O)[O-]	REAL300012107621	0	29	-2.0	-135.65	279.48	7.33	-128.32
COC(=O)CC1=CC=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107623	0	34	-2.0	-138.64	308.29	8.96	-129.68
O=C([O-])C=C(C(=O)[O-])C1=CN=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300012107624	0	33	-3.0	-204.01	326.79	5.27	-198.74
O=C([O-])C=C(C(=O)[O-])C1=CN=CC(NS(=O)(=O)C2=CC=CC=C2)=C1	REAL300012107624	1	34	-2.0	-126.82	329.23	5.28	-121.54
O=C([O-])C1=CC(C2=CN=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=CN=C1C(=O)[O-]	REAL300012107625	0	38	-3.0	-192.73	357.75	5.82	-186.91
O=C([O-])C1=CC(C2=CN=CC(NS(=O)(=O)C3=CC=CC=C3)=C2)=CN=C1C(=O)[O-]	REAL300012107625	1	39	-2.0	-137.14	360.31	5.81	-131.33
O=C([O-])C1=CC(C2=CC=C(OC3CCCCC3)C=C2)=CN=C1C(=O)[O-]	REAL300012107628	0	42	-2.0	-135.59	341.44	10.32	-125.27
CC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300012107630	0	30	-2.0	-134.00	280.96	8.98	-125.02
COC1=NC(C(F)(F)F)=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107632	0	31	-2.0	-131.85	306.11	5.90	-125.95
COC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC(OC)=C1	REAL300012107636	0	33	-2.0	-139.00	293.01	6.29	-132.71
O=C([O-])C1=CC(C2=CC=C(Cl)C=C2Cl)=CN=C1C(=O)[O-]	REAL300012107638	0	25	-2.0	-130.05	266.31	8.58	-121.47
COCCCOC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107640	0	39	-2.0	-136.58	337.29	7.66	-128.92
O=C([O-])C1=CC(C2=CC(Cl)=CC=C2Cl)=CN=C1C(=O)[O-]	REAL300012107642	0	25	-2.0	-132.38	266.26	8.59	-123.79
O=C([O-])C1=CC(C2=CC([N+](=O)[O-])=CC=C2CCO)=CN=C1C(=O)[O-]	REAL300012107644	0	34	-2.0	-138.32	312.62	6.23	-132.09
O=C([O-])C1=CC(C2=C3C=CSC3=CN=C2)=CN=C1C(=O)[O-]	REAL300012107646	0	27	-2.0	-135.16	268.99	7.31	-127.85
O=C([O-])C1=CC(C2=CC=C(SC(F)(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012107648	0	29	-2.0	-131.57	287.15	9.02	-122.55
O=C([O-])C1=CC(C2=CC=C(OC(F)(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012107650	0	29	-2.0	-131.84	276.76	7.35	-124.49
O=C([O-])C1=CC(C2=CC=C(C(F)(F)F)C=C2CO)=CN=C1C(=O)[O-]	REAL300012107652	0	32	-2.0	-130.01	304.00	6.15	-123.86
CC1=NN(C2=CC=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300012107654	0	38	-2.0	-141.77	333.22	9.88	-131.89
O=C([O-])C1=CC(C2=CC=CC3=C2OCCCO3)=CN=C1C(=O)[O-]	REAL300012107656	0	34	-2.0	-138.37	295.45	7.68	-130.69
CCOC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(CC)=C1	REAL300012107658	0	38	-2.0	-135.55	324.03	9.13	-126.42
COC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(CO)=C1	REAL300012107660	0	33	-2.0	-134.41	294.39	4.45	-129.96
O=C([O-])C=C(C(=O)[O-])C1=CC=C(OC2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300012107662	0	34	-2.0	-128.61	327.26	11.39	-117.22
COCCOC1=CC2=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C2C=C1	REAL300012107664	0	37	-2.0	-138.07	334.29	8.88	-129.19
COCCOC1=CC2=CC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C2C=C1	REAL300012107665	0	42	-2.0	-140.42	361.64	9.33	-131.09
O=C([O-])C1=CC(C2=CC=C(C3CC3)C=C2F)=CN=C1C(=O)[O-]	REAL300012107667	0	32	-2.0	-134.50	291.27	9.86	-124.64
O=C([O-])C=C(C(=O)[O-])C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=C1	REAL300012107669	0	30	-2.0	-128.68	300.29	9.35	-119.33
O=C([O-])C1=CC(C2=CN(C3=CC=CC(C(F)(F)F)=C3)N=C2)=CN=C1C(=O)[O-]	REAL300012107670	0	35	-2.0	-141.81	335.07	10.00	-131.81
CSC1=CC(C)=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300012107672	0	31	-2.0	-133.55	294.05	7.76	-125.79
O=C([O-])C=C(C(=O)[O-])C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300012107673	0	29	-2.0	-123.10	288.19	9.75	-113.35
COC1=CC=C(CO)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107675	0	33	-2.0	-135.10	291.17	4.30	-130.80
CC1(C)CC2=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=CC=C2O1	REAL300012107677	0	36	-2.0	-137.66	311.52	8.93	-128.73
O=C([O-])C1=CC(C2=CC=C(CN3C=CN=C3)C=C2)=CN=C1C(=O)[O-]	REAL300012107679	0	35	-2.0	-142.02	314.11	10.82	-131.20
O=C([O-])C1=CC(C2=CC=C3NC(=O)CCC3=C2)=CN=C1C(=O)[O-]	REAL300012107681	0	33	-2.0	-137.88	290.54	6.75	-131.13
CC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300012107684	0	31	-2.0	-133.92	288.43	9.21	-124.71
O=C([O-])C1=CC(C2=CC3=C(C=C2CO)OCCO3)=CN=C1C(=O)[O-]	REAL300012107686	0	35	-2.0	-135.19	306.19	4.16	-131.03
COC(=O)C1=CC=C(CO)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107688	0	35	-2.0	-138.10	316.42	5.66	-132.44
COC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300012107690	0	32	-2.0	-135.04	296.07	7.68	-127.36
O=C([O-])C1=CC(C2=CSC(C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012107692	0	25	-2.0	-130.99	262.39	7.78	-123.21
O=C([O-])C1=CC(C2=CC=CC=C2CC(F)(F)F)=CN=C1C(=O)[O-]	REAL300012107694	0	31	-2.0	-141.36	292.44	9.23	-132.13
CC(C)(C)OC(=O)N1CCC2=C(C=C(C(=CC(=O)[O-])C(=O)[O-])S2)C1	REAL300012107697	0	41	-2.0	-135.07	355.63	10.04	-125.03
CC(C)(O)CC1=CC=C(N)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107700	0	40	-2.0	-140.68	330.61	4.44	-136.24
O=C([O-])C1=CC(C2=CC=C(SC(F)(F)F)N=C2)=CN=C1C(=O)[O-]	REAL300012107702	0	28	-2.0	-136.53	289.07	7.94	-128.59
O=C([O-])C1=CC(C2=CC=CC(OC(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012107705	0	29	-2.0	-131.19	276.74	7.36	-123.83
NC1=CC=C(CCO)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107707	0	34	-2.0	-138.86	299.33	3.34	-135.52
COC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300012107709	0	32	-2.0	-134.76	300.94	8.08	-126.68
CC(C)(C)OC(=O)N1CC2=CC=CC(C(=CC(=O)[O-])C(=O)[O-])=C2C1	REAL300012107711	0	41	-2.0	-147.84	353.92	9.41	-138.43
CC(C)(C)OC(=O)N1CC2=CC=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=C2C1	REAL300012107712	0	46	-2.0	-142.92	385.19	9.90	-133.02
CSC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1F	REAL300012107714	0	29	-2.0	-132.55	280.00	8.76	-123.79
CN(C)C(=O)C1=CN=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107716	0	34	-2.0	-133.00	297.52	5.63	-127.37
O=C([O-])C1=CC(C2=CN(C3=CC=CC=N3)N=C2)=CN=C1C(=O)[O-]	REAL300012107718	0	31	-2.0	-140.80	293.08	8.33	-132.47
COC1=NC=C2C(=C1)C(C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1)=CN2C	REAL300012107720	0	35	-2.0	-141.25	319.39	6.37	-134.88
COC(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300012107722	0	31	-2.0	-133.61	293.32	8.36	-125.25
N#CC1=CC(Cl)=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107726	0	26	-2.0	-133.58	271.64	8.59	-124.99
NS(=O)(=O)C1=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C1Cl	REAL300012107729	0	25	-2.0	-130.64	270.26	2.62	-128.02
NS(=O)(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1Cl	REAL300012107730	0	30	-2.0	-135.68	301.30	3.19	-132.49
CC1=CC(C(=CC(=O)[O-])C(=O)[O-])=CC=C1OCC1=CC=CC(Cl)=C1	REAL300012107731	0	37	-2.0	-134.88	347.79	12.09	-122.79
CC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1OCC1=CC=CC(Cl)=C1	REAL300012107732	0	42	-2.0	-138.31	382.06	12.23	-126.08
CC1=CC(C(=CC(=O)[O-])C(=O)[O-])=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012107733	0	37	-2.0	-134.26	347.79	12.10	-122.16
CC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012107734	0	42	-2.0	-136.01	378.75	12.11	-123.90
O=C([O-])C=C(C(=O)[O-])C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300012107736	0	31	-2.0	-131.01	305.06	10.94	-120.07
O=C([O-])C1=CC(C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)=CN=C1C(=O)[O-]	REAL300012107737	0	36	-2.0	-135.56	336.23	10.93	-124.63
O=C([O-])C=C(C(=O)[O-])C1=CC=C(OCC2=CC=C(Cl)C=C2)C=C1	REAL300012107739	0	34	-2.0	-133.35	327.74	11.37	-121.98
O=C([O-])C1=CC(C2=CC=C(OCC3=CC=C(Cl)C=C3)C=C2)=CN=C1C(=O)[O-]	REAL300012107740	0	39	-2.0	-137.42	358.76	11.36	-126.06
O=C([O-])C=C(C(=O)[O-])C1=CC=C(Cl)C(OC(F)(F)F)=C1	REAL300012107743	0	24	-2.0	-127.35	261.83	7.91	-119.44
O=C([O-])C1=CC(C2=CC=C(Cl)C(OC(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012107744	0	29	-2.0	-130.25	296.06	8.04	-122.21
O=C([O-])C=C(C(=O)[O-])C1=CC=C(OCC2=CC=CC(Cl)=C2)C=C1F	REAL300012107745	0	34	-2.0	-137.42	333.61	11.44	-125.98
COCOC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1Cl	REAL300012107747	0	33	-2.0	-135.84	311.65	7.67	-128.17
O=C([O-])C=C(C(=O)[O-])C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300012107749	0	31	-2.0	-135.82	305.15	10.94	-124.88
O=C([O-])C1=CC(C2=CC=CC(OC3=CC=C(Cl)C=C3)=C2)=CN=C1C(=O)[O-]	REAL300012107750	0	36	-2.0	-135.58	341.10	11.08	-124.50
CC1=CC(OCC2=CC=CC(Cl)=C2)=CC=C1C(=CC(=O)[O-])C(=O)[O-]	REAL300012107751	0	37	-2.0	-133.60	342.42	11.79	-121.81
CC1=CC(OCC2=CC=CC(Cl)=C2)=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107752	0	42	-2.0	-135.64	380.56	11.94	-123.70
O=C([O-])C=C(C(=O)[O-])C1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012107754	0	30	-2.0	-138.83	294.09	11.05	-127.78
O=C([O-])C1=CC(C2=CC=CC(C3=CC=C(Cl)C=C3)=C2)=CN=C1C(=O)[O-]	REAL300012107755	0	35	-2.0	-137.98	324.98	11.63	-126.35
O=C([O-])C1=CC(C2=CC3=NC(Cl)=CC=C3S2)=CN=C1C(=O)[O-]	REAL300012107757	0	27	-2.0	-134.31	285.54	7.84	-126.47
CC(=O)N1CCN(CC2=CC=CC(C(=CC(=O)[O-])C(=O)[O-])=C2)CC1	REAL300012107759	0	42	-2.0	-143.28	351.10	7.86	-135.42
CC(=O)N1CCN(CC2=CC=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=C2)CC1	REAL300012107760	0	47	-2.0	-140.84	385.29	7.99	-132.85
COC(=O)C1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1C	REAL300012107762	0	34	-2.0	-135.16	304.90	8.84	-126.32
O=C([O-])C1=CC(C2=CC=CC(C(F)F)=C2F)=CN=C1C(=O)[O-]	REAL300012107765	0	28	-2.0	-136.45	272.31	8.59	-127.86
O=C([O-])C1=CC(C2=CC=CC(F)=C2C(F)(F)F)=CN=C1C(=O)[O-]	REAL300012107767	0	28	-2.0	-135.53	270.17	8.31	-127.22
O=C([O-])C=C(C(=O)[O-])C1=CC=C(OCC(F)(F)F)C=C1F	REAL300012107769	0	27	-2.0	-136.44	276.53	8.34	-128.10
O=C([O-])C1=CC(C2=CC=C(OCC(F)(F)F)C=C2F)=CN=C1C(=O)[O-]	REAL300012107770	0	32	-2.0	-135.08	312.94	8.45	-126.63
O=C([O-])C1=CC(C2=CC=C(C3(O)CCC3)C=C2)=CN=C1C(=O)[O-]	REAL300012107772	0	36	-2.0	-136.38	303.94	6.98	-129.40
O=C([O-])C1=CC(C2=C(C(F)(F)F)SC=C2)=CN=C1C(=O)[O-]	REAL300012107774	0	25	-2.0	-134.31	258.95	7.51	-126.80
O=C([O-])C=C(C(=O)[O-])C1=CC=C(OCC(F)(F)F)C=C1F	REAL300012107776	0	27	-2.0	-136.44	276.53	8.34	-128.10
O=C([O-])C1=CC(C2=CC=C(OCC(F)(F)F)C=C2F)=CN=C1C(=O)[O-]	REAL300012107777	0	32	-2.0	-135.08	312.94	8.45	-126.63
CC(C)(C)OC(=O)N1CCN(CC2=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C2)CC1	REAL300012107778	0	52	-2.0	-138.37	420.22	9.79	-128.58
O=C([O-])C1=CC(C2=CN=C(N3CCC(=O)CC3)N=C2)=CN=C1C(=O)[O-]	REAL300012107784	0	37	-2.0	-135.80	323.93	7.77	-128.03
CC(C)(C)OC(=O)NC1=CC=C(F)C(C(=CC(=O)[O-])C(=O)[O-])=C1	REAL300012107786	0	37	-2.0	-153.86	326.86	7.79	-146.07
CC(C)(C)OC(=O)NC1=CC=C(F)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107787	0	42	-2.0	-137.42	365.02	8.07	-129.35
O=C([O-])C1=CC(C2=CNC(=O)C(C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012107790	0	28	-2.0	-132.67	279.76	5.81	-126.86
CC(C)OC1=CN=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107792	0	34	-2.0	-131.66	295.88	6.68	-124.98
NC1=CC2=CC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C2C=C1	REAL300012107796	0	33	-2.0	-139.92	291.93	7.70	-132.22
COC1=CC=C(CSC)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107798	0	36	-2.0	-140.31	330.91	9.06	-131.25
CC(C)(C)OC(=O)NC1CCCCC2=CC(C(=CC(=O)[O-])C(=O)[O-])=CC=C21	REAL300012107799	0	50	-2.0	-146.07	393.61	11.48	-134.59
O=C([O-])C1=CC(C2=CC=CC(CN3C=CN=C3)=C2)=CN=C1C(=O)[O-]	REAL300012107802	0	35	-2.0	-142.72	314.04	10.82	-131.90
O=C([O-])C1=CC(C2=CC=CC(C(F)(F)F)=N2)=CN=C1C(=O)[O-]	REAL300012107804	0	27	-2.0	-144.18	271.30	7.15	-137.03
O=C([O-])C1=CC(C2=CC(C(F)(F)F)=CC=N2)=CN=C1C(=O)[O-]	REAL300012107806	0	27	-2.0	-136.60	270.81	7.15	-129.45
COC(=O)C1=CC2=CC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C2N1	REAL300012107815	0	35	-2.0	-137.94	321.92	8.22	-129.72
COC(=O)C1=CN=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107817	0	30	-2.0	-132.90	280.72	6.44	-126.46
O=C([O-])C1=CC(C2=CC=C3NC(=O)OCC3=C2)=CN=C1C(=O)[O-]	REAL300012107820	0	31	-2.0	-137.56	281.36	5.57	-131.99
COC1=CC(C=CC2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1O	REAL300012107822	0	34	-2.0	-139.02	309.15	6.28	-132.74
O=C([O-])C1=CC(C2=CC=C(OCC3=CC=CC=C3)C=C2)=CN=C1C(=O)[O-]	REAL300012107824	0	39	-2.0	-136.95	342.03	10.84	-126.11
N#CC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300012107830	0	33	-2.0	-134.95	302.02	10.01	-124.94
CC1=NN(C2=NC=CS2)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107832	0	31	-2.0	-137.13	307.40	7.85	-129.28
CCOC1=CC=C(C=CC2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107834	0	36	-2.0	-136.81	316.94	9.21	-127.60
CS(C)(=O)=NC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107836	0	35	-2.0	-159.04	311.65	5.95	-153.09
O=C([O-])C1=CC(C2=CC=C(C3CCC(=O)N3)C=C2)=CN=C1C(=O)[O-]	REAL300012107838	0	36	-2.0	-145.42	317.42	7.20	-138.22
O=C([O-])C1=CC(C2=NC=C(C3=CC=CC=C3)O2)=CN=C1C(=O)[O-]	REAL300012107840	0	31	-2.0	-133.00	292.29	6.41	-126.59
O=C([O-])C1=CC(C2=C3N=CSC3=CC=C2)=CN=C1C(=O)[O-]	REAL300012107842	0	27	-2.0	-141.76	271.22	7.40	-134.36
O=C([O-])C1=CC(C2=CC3=CC(O)=CC=C3C=C2)=CN=C1C(=O)[O-]	REAL300012107844	0	32	-2.0	-139.25	291.14	7.11	-132.14
O=C([O-])C1=CC(C2=CC=C(OC(F)(F)F)C=C2F)=CN=C1C(=O)[O-]	REAL300012107846	0	29	-2.0	-130.21	288.00	7.56	-122.65
CC(C)(C)OC(=O)N1CCC2=CC(C(=CC(=O)[O-])C(=O)[O-])=CC=C21	REAL300012107849	0	41	-2.0	-135.79	349.58	9.95	-125.84
CC(C)(C)OC(=O)N1CCC2=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=CC=C21	REAL300012107850	0	46	-2.0	-143.71	380.84	10.50	-133.21
O=C([O-])C1=CC(C2=CC=C(C(F)F)C(F)=C2)=CN=C1C(=O)[O-]	REAL300012107852	0	28	-2.0	-135.05	273.46	8.65	-126.40
CC1=C(Br)C=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107854	0	28	-2.0	-132.14	270.66	8.67	-123.47
CC(C)(C)OC(=O)N1CCC(=CC(=CC(=O)[O-])C(=O)[O-])CC1	REAL300012107857	0	41	-2.0	-131.96	334.36	9.07	-122.89
CC(C)(C)OC(=O)N1CCC(=CC2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300012107858	0	46	-2.0	-139.44	370.81	9.26	-130.18
O=C([O-])C=C(C(=O)[O-])C1=CC=C(C2CC(F)(F)C2(F)F)C=C1	REAL300012107860	0	30	-2.0	-134.63	291.51	9.95	-124.68
O=C([O-])C1=CC(C2=CC=C(C3CC(F)(F)C3(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012107861	0	35	-2.0	-138.97	319.37	10.38	-128.59
CC(C)(C)OC(=O)N1CCOC2=C(C=CC=C2C(=CC(=O)[O-])C(=O)[O-])C1	REAL300012107862	0	45	-2.0	-140.18	373.70	9.78	-130.40
O=CC1=CC=CC(CO)=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107864	0	31	-2.0	-133.39	287.19	4.78	-128.61
O=C([O-])C1=CC(C2=CN(C3=CC=NC=C3)N=C2)=CN=C1C(=O)[O-]	REAL300012107866	0	31	-2.0	-139.27	291.13	7.25	-132.02
O=C([O-])C1=CC(C2=CN=CC(OC(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012107868	0	28	-2.0	-134.08	265.11	5.29	-128.79
CN1N=C(Br)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107870	0	25	-2.0	-126.16	253.58	5.61	-120.55
O=C([O-])C1=CC(C2=CC=C3OCCNC(=O)C3=C2)=CN=C1C(=O)[O-]	REAL300012107872	0	34	-2.0	-139.24	299.07	4.79	-134.45
O=C([O-])C1=CC(C2=CN=C(C3=CC=CC=C3)S2)=CN=C1C(=O)[O-]	REAL300012107874	0	31	-2.0	-135.29	298.90	8.70	-126.59
O=C([O-])C1=CC(C2=CC=C3CC4=CC=CC=C4C3=C2)=CN=C1C(=O)[O-]	REAL300012107879	0	36	-2.0	-139.34	318.28	11.80	-127.54
N#CC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1Cl	REAL300012107881	0	26	-2.0	-135.04	269.03	8.35	-126.69
O=C([O-])C1=CC(C2=CN(C(F)(F)F)N=C2)=CN=C1C(=O)[O-]	REAL300012107883	0	25	-2.0	-134.32	259.33	5.82	-128.50
CC(C)(C)OC(=O)N1CCOC2=CC(C(=CC(=O)[O-])C(=O)[O-])=CC=C2C1	REAL300012107884	0	45	-2.0	-138.83	377.55	9.34	-129.49
O=C([O-])C1=CC(C2=CC=CC(OC(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012107886	0	29	-2.0	-135.26	270.00	7.15	-128.11
O=C([O-])C1=CC(C2=NN(C3CCCCO3)N=C2)=CN=C1C(=O)[O-]	REAL300012107888	0	35	-2.0	-131.84	308.52	4.66	-127.18
CC1OC2=CC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C2NC1=O	REAL300012107890	0	34	-2.0	-134.34	301.55	5.57	-128.77
O=C([O-])C1=CC(C=CC2=CC(F)=CC(F)=C2)=CN=C1C(=O)[O-]	REAL300012107892	0	29	-2.0	-135.83	281.78	9.25	-126.58
O=C([O-])C1=CC(C2=C(F)C=CC3=C2OCO3)=CN=C1C(=O)[O-]	REAL300012107894	0	28	-2.0	-141.03	273.20	6.66	-134.37
COCCN1N=C(C)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300012107897	0	38	-2.0	-135.78	339.90	6.70	-129.08
COC1=CC(C)=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300012107899	0	35	-2.0	-135.29	303.42	8.10	-127.19
CC1=NC2=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=CC=C2N1C	REAL300012107902	0	34	-2.0	-142.87	301.77	8.81	-134.06
COC(=O)C1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107904	0	31	-2.0	-136.65	285.53	8.21	-128.44
O=C([O-])C1=CC(C2=CC=C(C(F)(F)F)O2)=CN=C1C(=O)[O-]	REAL300012107906	0	25	-2.0	-134.81	260.71	7.20	-127.61
CC(=O)N1C2=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C2CC1(C)C	REAL300012107908	0	37	-2.0	-142.39	308.76	9.47	-132.92
CC(=O)N1C2=CC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C2CC1(C)C	REAL300012107909	0	42	-2.0	-138.84	346.15	9.83	-129.01
COCOC1=CC=C(C#N)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107911	0	34	-2.0	-138.90	317.62	7.65	-131.25
COC(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107913	0	31	-2.0	-133.63	285.53	8.22	-125.41
COC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(OC)=C1	REAL300012107916	0	33	-2.0	-137.59	294.18	6.48	-131.11
CC(C)(C)OC(=O)C1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107918	0	40	-2.0	-136.52	340.43	10.26	-126.26
COC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C=O	REAL300012107924	0	31	-2.0	-139.58	285.56	6.78	-132.80
COC1=CC=CC(Cl)=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107926	0	29	-2.0	-142.83	284.02	7.69	-135.14
O=C([O-])C1=CC(C2=CSC(C(F)(F)F)=N2)=CN=C1C(=O)[O-]	REAL300012107929	0	24	-2.0	-140.42	263.46	6.09	-134.33
O=C([O-])C1=CC(C2=CC=C(Cl)C=C2CO)=CN=C1C(=O)[O-]	REAL300012107931	0	29	-2.0	-129.70	278.43	5.51	-124.19
O=C([O-])C1=CC(C2=CC(Cl)=C(Cl)C=C2Cl)=CN=C1C(=O)[O-]	REAL300012107933	0	25	-2.0	-127.98	281.49	9.04	-118.94
CN(C)C1=CC=C(C=CC2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107935	0	37	-2.0	-140.39	320.31	9.52	-130.87
O=C([O-])C=C(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCCC2)C=C1CO	REAL300012107936	0	39	-2.0	-130.85	347.93	4.00	-126.85
CS(=O)(=O)C1=CC=C(C(=CC(=O)[O-])C(=O)[O-])C(Cl)=C1	REAL300012107938	0	26	-2.0	-139.04	273.86	5.50	-133.54
CS(=O)(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(Cl)=C1	REAL300012107939	0	31	-2.0	-139.59	310.23	5.61	-133.98
O=C([O-])C1=CC(C2=CC=C(C3=CC=CC=C3)C=C2)=CN=C1C(=O)[O-]	REAL300012107941	0	35	-2.0	-137.38	304.93	10.96	-126.42
O=C([O-])C1=CC(C2=CC=NC(C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012107943	0	27	-2.0	-130.29	269.78	7.04	-123.25
O=C([O-])C1=CC(C2=CC=C(C(F)(F)F)N=C2)=CN=C1C(=O)[O-]	REAL300012107945	0	27	-2.0	-133.82	268.78	6.94	-126.88
O=C([O-])C1=CC(C2=CC=CC=C2OCC2=CC=CC=C2)=CN=C1C(=O)[O-]	REAL300012107947	0	39	-2.0	-141.13	346.61	11.15	-129.98
O=C([O-])C=C(C(=O)[O-])C1=CC=C(OCC2=CC=CC=C2)C=C1F	REAL300012107950	0	34	-2.0	-137.49	316.87	10.93	-126.56
O=C([O-])C1=CC(C2=CC=C(OCC3=CC=CC=C3)C=C2F)=CN=C1C(=O)[O-]	REAL300012107951	0	39	-2.0	-135.13	353.27	11.04	-124.09
O=C([O-])C1=CC(C2=CC=C(C(F)(F)F)C=C2F)=CN=C1C(=O)[O-]	REAL300012107954	0	28	-2.0	-129.93	280.77	8.76	-121.17
CCOC1=CC(F)=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107956	0	32	-2.0	-134.45	293.02	8.18	-126.27
O=C([O-])C1=CC(C2=CC=C(C3=CC=CC=C3)C=C2F)=CN=C1C(=O)[O-]	REAL300012107958	0	35	-2.0	-135.45	316.19	11.16	-124.29
CC1=CC(C(F)(F)F)=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107960	0	31	-2.0	-130.78	291.67	9.17	-121.61
COC1=CC(C(F)(F)F)=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107962	0	32	-2.0	-133.21	303.44	8.17	-125.04
COC1=CC(OC(F)(F)F)=CC=C1C(=CC(=O)[O-])C(=O)[O-]	REAL300012107965	0	28	-2.0	-133.97	274.46	6.73	-127.24
COC1=CC(OC(F)(F)F)=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107966	0	33	-2.0	-134.06	310.67	6.97	-127.09
O=C([O-])C=C(C(=O)[O-])C1=C(F)C=C(OCC2=CC=CC=C2)C=C1F	REAL300012107969	0	34	-2.0	-138.87	322.77	10.97	-127.90
O=C([O-])C1=CC(C2=C(F)C=C(OCC3=CC=CC=C3)C=C2F)=CN=C1C(=O)[O-]	REAL300012107970	0	39	-2.0	-136.98	360.63	11.17	-125.81
O=C([O-])C1=CC(C2=CC=CC(OCC3=CC=CC=C3)=C2)=CN=C1C(=O)[O-]	REAL300012107972	0	39	-2.0	-136.74	342.01	10.84	-125.90
O=C([O-])C1=CC(C2=CC=C(Cl)C(C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012107975	0	28	-2.0	-130.78	285.90	9.11	-121.67
CS(=O)(=O)NC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107977	0	33	-2.0	-139.69	307.46	4.17	-135.52
COC1=CC=C(CSC)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012107979	0	36	-2.0	-140.31	330.91	9.06	-131.25
O=C([O-])C1=CC(C2=CC=C(Cl)C(F)=C2F)=CN=C1C(=O)[O-]	REAL300012107982	0	25	-2.0	-136.08	264.61	8.35	-127.73
O=C([O-])C1=CC(C2=CC(Cl)=C(Cl)S2)=CN=C1C(=O)[O-]	REAL300012107984	0	22	-2.0	-129.45	260.31	7.99	-121.46
O=C([O-])C1=CC(C2=CC(Cl)=CC=C2C2CC2)=CN=C1C(=O)[O-]	REAL300012107986	0	32	-2.0	-137.16	300.80	10.17	-126.99
CNC(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(Cl)=C1	REAL300012107988	0	32	-2.0	-135.51	305.92	6.34	-129.17
CN(C)C(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(Cl)=C1	REAL300012107991	0	35	-2.0	-135.34	319.94	7.89	-127.45
CS(=O)(=O)NC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012107993	0	33	-2.0	-139.69	307.46	4.17	-135.52
CC(C)(C)OC(=O)NCC1=CC=CC(C(=CC(=O)[O-])C(=O)[O-])=C1	REAL300012107995	0	40	-2.0	-138.41	347.57	8.03	-130.38
CC(C)(C)OC(=O)NCC1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012107996	0	45	-2.0	-139.92	381.97	8.13	-131.79
O=C([O-])C=C(C(=O)[O-])C1=CC=C(OC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300012107998	0	34	-2.0	-130.97	327.08	11.43	-119.54
CC(C)(C)OC(=O)N1CCOC2=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C2C1	REAL300012107999	0	45	-2.0	-145.83	377.43	9.32	-136.51
O=C([O-])C1=CC=C(CO)C(C2=CC=CC(C3=NNC(=O)[N-]3)=C2)=C1	REAL300012110010	0	34	-2.0	-106.49	303.90	2.78	-103.71
O=C([O-])C1=CC=C(CO)C(C2=CC=C(C3=NNC(=O)[N-]3)C=C2)=C1	REAL300012110011	0	34	-2.0	-97.02	303.85	2.78	-94.24
O=C([O-])C1=CC=C(CO)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300012110026	0	33	-2.0	-90.64	294.35	2.52	-88.12
CC(CCC(=O)[O-])C1=CC=C(C2=CC(C(=O)[O-])=CC=C2CO)C=C1	REAL300012110215	0	42	-2.0	-99.04	349.89	9.23	-89.81
O=C([O-])C1=CC=C(CO)C(C2=CC=C3C([O-])=CS(=O)(=O)C3=C2)=C1	REAL300012110345	0	33	-2.0	-99.43	305.73	1.52	-97.91
O=C([O-])C1=CC=C(CO)C(C2=CC=C3C(=C2)C([O-])=CS3(=O)=O)=C1	REAL300012110351	0	33	-2.0	-113.83	305.42	1.50	-112.33
O=C([O-])C1=CC=C(CO)C(C2=CN=CC(C([O-])(O)C(F)(F)F)=C2)=C1	REAL300012110375	1	34	-2.0	-98.71	311.08	1.56	-97.15
O=C([O-])C1=CC=C(CO)C(C2=CC=C(C3=NNC(=O)[N-]3)N=C2)=C1	REAL300012110487	0	33	-2.0	-95.93	299.47	0.81	-95.12
O=C([O-])C1=CC=C(CO)C(C2=CC=C(C([O-])(C(F)(F)F)C(F)(F)F)C=C2)=C1	REAL300012110556	1	37	-2.0	-90.68	335.46	5.80	-84.88
O=C([O-])C1=CC=C(CO)C(C2=CC=C(C(=O)C(F)(F)F)C([O-])=C2)=C1	REAL300012110564	0	33	-2.0	-94.88	306.04	6.35	-88.53
O=C([O-])C1=CC=C(CO)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012110577	0	31	-3.0	-200.03	290.08	5.57	-194.46
O=C([O-])C1=CC=C(CO)C(C2=CC=C3[N-]C=C([N+](=O)[O-])C(=O)C3=C2)=C1	REAL300012110602	1	35	-2.0	-102.15	316.04	6.95	-95.20
O=C([O-])C1=CC=C(CO)C(C2=CC=CC(N3N=C[N-]C3=O)=C2)=C1	REAL300012110605	0	34	-2.0	-105.83	299.39	5.03	-100.80
O=C([O-])C1=CC=C(CO)C(C2=CC=C(N3N=C[N-]C3=O)C=C2)=C1	REAL300012110606	0	34	-2.0	-95.31	299.31	5.04	-90.27
O=C([O-])C1=CC=C(CO)C(C2=CC=C3C(=O)C([N+](=O)[O-])=C[N-]C3=C2)=C1	REAL300012110607	1	35	-2.0	-91.57	315.94	6.94	-84.63
O=C([O-])C1=CC=C(CO)C(C2=CC=C([O-])C(C(=O)C(F)(F)F)=C2)=C1	REAL300012110623	0	33	-2.0	-97.93	306.16	6.37	-91.56
O=C([O-])C1=CC(C2=CC3=CC=CC(F)=C3N=C2)=CN=C1C(=O)[O-]	REAL300012110625	0	30	-2.0	-139.91	278.33	8.02	-131.89
O=C([O-])C1CC(NC(=O)NC2=CC=C(Cl)C=C2)(C(=O)[O-])C1	REAL300012110793	0	32	-2.0	-113.62	296.35	6.33	-107.29
O=C([O-])C1CC(NC(=O)NC2=CC=CC(Cl)=C2)(C(=O)[O-])C1	REAL300012111109	0	32	-2.0	-123.61	297.72	6.44	-117.17
O=C([O-])C1CC(NC(=O)NC2=CC=C(F)C=C2F)(C(=O)[O-])C1	REAL300012111789	0	32	-2.0	-109.44	290.86	5.99	-103.45
NS(=O)(=O)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012112074	0	37	-2.0	-121.15	333.77	0.77	-120.38
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012112558	0	36	-2.0	-117.81	309.13	5.10	-112.71
O=C([O-])C1CC(NC(=O)NC2=CC=CC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012112801	0	38	-2.0	-124.72	323.31	8.32	-116.40
COC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012113016	0	36	-2.0	-128.26	310.48	5.23	-123.03
N#CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012113212	0	33	-2.0	-113.63	300.43	6.21	-107.42
N#CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012113402	0	33	-2.0	-126.67	301.85	6.32	-120.35
O=C([O-])C1CC(NC(=O)NC2=CC=CC=C2Cl)(C(=O)[O-])C1	REAL300012113602	0	32	-2.0	-114.07	293.40	6.43	-107.64
O=C([O-])C1CC(NC(=O)NC2=CC=C(Br)C=C2)(C(=O)[O-])C1	REAL300012113884	0	32	-2.0	-113.57	300.91	6.43	-107.14
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CCCCCC1	REAL300012114060	1	40	-2.0	-132.17	316.56	7.40	-124.77
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114061	1	37	-2.0	-125.45	338.89	7.59	-117.86
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114062	1	37	-2.0	-123.47	340.39	9.66	-113.81
O=C([N-]C1=NC2=CC=CC=C2S1)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012114063	1	34	-2.0	-131.65	317.28	6.71	-124.94
O=C([N-]C1=NC2=CC=CC=C2S1)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012114064	1	34	-2.0	-131.72	317.50	6.64	-125.08
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114065	1	37	-2.0	-125.45	338.89	7.59	-117.86
CCC(C)C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114066	1	36	-2.0	-126.08	316.33	5.76	-120.32
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114067	1	34	-2.0	-139.42	293.79	8.02	-131.40
CCOC(=O)C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114068	1	33	-2.0	-120.21	316.03	4.67	-115.54
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114069	1	34	-2.0	-139.42	293.79	8.02	-131.40
CCCC(C)(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114070	1	36	-2.0	-127.38	306.98	5.64	-121.74
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114071	1	36	-2.0	-120.01	317.30	7.72	-112.29
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114072	1	37	-2.0	-126.52	354.96	7.97	-118.55
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114073	1	43	-2.0	-130.90	383.15	9.64	-121.26
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114074	1	43	-2.0	-127.10	361.67	7.77	-119.33
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114075	1	40	-2.0	-122.97	352.58	10.33	-112.64
CC1=CC=C(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300012114076	1	37	-2.0	-131.90	338.67	7.39	-124.51
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114077	1	30	-2.0	-117.35	296.45	5.29	-112.06
O=C([N-]C1=NC2=CC=CC=C2S1)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012114078	1	40	-2.0	-134.90	363.46	8.91	-125.99
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CCSCC1	REAL300012114079	1	35	-2.0	-124.71	308.56	6.42	-118.29
COCC(C)(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114080	1	34	-2.0	-129.45	303.73	4.16	-125.29
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114081	1	37	-2.0	-116.78	325.53	6.19	-110.59
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114082	1	36	-2.0	-120.01	317.30	7.72	-112.29
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114083	1	43	-2.0	-119.89	362.78	10.32	-109.57
COC(=O)C1CCN(C(=O)[N-]C2=NC3=CC=CC=C3S2)C(C(=O)[O-])C1	REAL300012114084	1	40	-2.0	-141.70	348.53	8.67	-133.03
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114085	1	33	-2.0	-114.87	321.02	7.81	-107.06
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CCOC1	REAL300012114086	1	32	-2.0	-125.51	286.99	3.03	-122.48
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCCCC1	REAL300012114087	1	40	-2.0	-128.46	334.42	6.84	-121.62
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=CC=C(O)C=C1	REAL300012114088	1	35	-2.0	-128.94	328.25	3.87	-125.07
CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C(COC1CCC1)C(=O)[O-]	REAL300012114089	1	41	-2.0	-118.85	353.61	7.64	-111.21
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114090	1	41	-2.0	-132.94	356.72	10.90	-122.04
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114091	1	35	-2.0	-144.20	304.70	4.70	-139.50
COC(=O)C1CCC(NC(=O)[N-]C2=NC3=CC=CC=C3S2)(C(=O)[O-])CC1	REAL300012114092	1	43	-2.0	-130.83	359.17	6.65	-124.18
C=CC(C)C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114093	1	34	-2.0	-124.73	305.86	5.41	-119.32
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCOCC1	REAL300012114094	1	38	-2.0	-124.46	328.46	4.57	-119.89
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=CC=C(F)C(F)=C1	REAL300012114095	1	34	-2.0	-120.73	330.19	6.76	-113.97
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=CC=C(Cl)C(F)=C1	REAL300012114096	1	34	-2.0	-121.23	339.48	7.24	-113.99
COC1CCN(C(=O)[N-]C2=NC3=CC=CC=C3S2)C(C(=O)[O-])C1	REAL300012114097	1	38	-2.0	-140.94	324.53	7.17	-133.77
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCCOC1	REAL300012114098	1	38	-2.0	-123.83	325.23	4.45	-119.38
CC1CCN(C(=O)[N-]C2=NC3=CC=CC=C3S2)C(C(=O)[O-])C1	REAL300012114099	1	37	-2.0	-140.24	314.80	8.64	-131.60
CC1=CC(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])=CC=C1F	REAL300012114100	1	37	-2.0	-124.32	344.22	7.33	-116.99
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=CC=C2OCCC2=C1	REAL300012114101	1	39	-2.0	-129.96	353.17	6.56	-123.40
CC1=CC(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])=CC(C)=C1	REAL300012114102	1	40	-2.0	-134.09	360.30	7.96	-126.13
CC1=CC=C(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])C=C1C	REAL300012114103	1	40	-2.0	-133.89	355.94	7.83	-126.06
COC1=CC=C(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])C=C1O	REAL300012114104	1	39	-2.0	-129.14	357.76	3.76	-125.38
COC1=CC=C(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])C=C1Cl	REAL300012114105	1	38	-2.0	-127.30	363.01	6.50	-120.80
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])=C1C	REAL300012114106	1	40	-2.0	-132.88	347.51	7.66	-125.22
COC1=CC=C(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])C=C1F	REAL300012114107	1	38	-2.0	-127.32	353.21	6.01	-121.31
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CC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)(C(=O)[O-])C1CC1	REAL300012114109	1	34	-2.0	-129.26	298.21	5.72	-123.54
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O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CCCCC1	REAL300012114111	1	37	-2.0	-131.56	310.86	6.72	-124.84
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114112	1	37	-2.0	-112.99	351.07	9.89	-103.10
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114113	1	41	-2.0	-130.95	367.98	7.66	-123.29
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114114	1	36	-2.0	-125.89	312.59	5.53	-120.36
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O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114116	1	37	-2.0	-112.67	340.76	9.44	-103.23
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CC2=CC=CC=C2C1	REAL300012114117	1	38	-2.0	-135.41	335.46	7.78	-127.63
COC(=O)CC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114118	1	33	-2.0	-126.56	314.08	4.71	-121.85
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=CC(F)=CC=C1F	REAL300012114119	1	34	-2.0	-129.94	328.13	6.85	-123.09
CC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012114120	1	37	-2.0	-133.74	325.60	7.38	-126.36
CCCCCCC(C)(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114121	1	45	-2.0	-128.12	371.48	7.97	-120.15
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114122	1	32	-2.0	-126.31	291.95	2.46	-123.85
CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012114123	1	40	-2.0	-116.62	352.43	9.82	-106.80
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O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114125	1	38	-2.0	-124.80	362.46	7.51	-117.29
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=CC=C(Cl)C=C1	REAL300012114126	1	34	-2.0	-124.29	333.97	7.24	-117.05
COC(=O)CC[C@@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114127	1	36	-2.0	-122.79	336.81	5.36	-117.43
O=C([O-])C1COCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114128	1	32	-2.0	-132.96	285.09	5.57	-127.39
CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1(C(=O)[O-])CCCCC1	REAL300012114129	1	40	-2.0	-130.83	322.27	8.46	-122.37
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CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012114131	1	37	-2.0	-123.74	327.21	8.56	-115.18
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114132	1	34	-2.0	-121.20	312.77	5.84	-115.36
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1CC1	REAL300012114133	1	38	-2.0	-115.74	328.74	7.79	-107.95
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCC1	REAL300012114134	1	37	-2.0	-113.05	315.33	7.76	-105.29
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CCC2=CC=CC=C21	REAL300012114135	1	38	-2.0	-139.94	332.22	7.69	-132.25
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114136	1	34	-2.0	-139.57	293.92	8.05	-131.52
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114137	1	32	-2.0	-123.80	291.84	2.48	-121.32
CCCN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C(COC)C(=O)[O-]	REAL300012114138	1	40	-2.0	-128.62	345.73	8.27	-120.35
CCCN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C(CC)C(=O)[O-]	REAL300012114139	1	39	-2.0	-127.33	331.67	8.96	-118.37
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114140	1	34	-2.0	-131.92	299.08	7.13	-124.79
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O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114142	1	37	-2.0	-138.43	308.81	8.77	-129.66
CCCCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114143	1	36	-2.0	-123.91	324.34	6.10	-117.81
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C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114146	1	34	-2.0	-131.85	299.08	7.13	-124.72
CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1(C(=O)[O-])CCCCC1	REAL300012114147	1	40	-2.0	-130.83	322.27	8.46	-122.37
O=C([O-])CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCCC1	REAL300012114148	1	37	-2.0	-120.86	317.73	8.23	-112.63
CCCCCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114149	1	39	-2.0	-123.73	345.01	6.91	-116.82
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114150	1	36	-2.0	-125.56	310.55	5.69	-119.87
CCC1CCC(NC(=O)[N-]C2=NC3=CC=CC=C3S2)(C(=O)[O-])CC1	REAL300012114151	1	43	-2.0	-132.09	349.93	7.99	-124.10
O=C([O-])CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCOCC1	REAL300012114152	1	38	-2.0	-121.16	326.17	6.57	-114.59
CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1(C(=O)[O-])CCCC1	REAL300012114153	1	37	-2.0	-132.65	308.91	7.49	-125.16
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1CC1	REAL300012114154	1	34	-2.0	-115.72	292.43	6.88	-108.84
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1CC1	REAL300012114155	1	37	-2.0	-118.34	316.19	8.57	-109.77
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=CC=CC=C1Cl	REAL300012114156	1	34	-2.0	-131.75	328.27	7.11	-124.64
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=CC=CC=C1F	REAL300012114157	1	34	-2.0	-135.94	321.67	6.80	-129.14
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114158	1	38	-2.0	-130.86	334.42	9.44	-121.42
CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C(C(=O)[O-])C1=CC(F)=C(F)C(F)=C1	REAL300012114159	1	37	-2.0	-106.27	346.28	8.71	-97.56
C=CCN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012114160	1	44	-2.0	-113.81	380.36	11.20	-102.61
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114161	1	34	-2.0	-139.42	293.79	8.02	-131.40
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114162	1	32	-2.0	-131.81	294.02	8.01	-123.80
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CCCCC1	REAL300012114163	1	37	-2.0	-131.56	310.86	6.72	-124.84
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CCCC1	REAL300012114164	1	34	-2.0	-131.02	296.35	5.63	-125.39
CC(C)C[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114165	1	36	-2.0	-124.91	319.81	5.93	-118.98
COC1CCCC(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])C1	REAL300012114166	1	44	-2.0	-130.79	366.87	5.84	-124.95
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC3=CC=CC=C3S2)=C1	REAL300012114167	1	41	-2.0	-128.89	359.97	8.11	-120.78
O=C([O-])CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCOCC1	REAL300012114168	1	38	-2.0	-121.16	326.17	6.57	-114.59
O=C([O-])CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCCCC1	REAL300012114169	1	40	-2.0	-122.47	335.12	8.94	-113.53
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=CC=CC=C3S2)(C(=O)[O-])CC1	REAL300012114170	1	40	-2.0	-132.39	324.66	7.11	-125.28
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])=C1	REAL300012114171	1	38	-2.0	-133.47	346.98	5.93	-127.54
CC(CCF)(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114172	1	33	-2.0	-121.06	292.08	5.02	-116.04
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC3=CC=CC=C3S1)OC=C2	REAL300012114173	1	35	-2.0	-126.92	317.09	7.57	-119.35
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])=C1	REAL300012114174	1	38	-2.0	-133.52	346.99	5.92	-127.60
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=CC=CC=C3S2)C1	REAL300012114175	1	40	-2.0	-134.36	348.70	8.59	-125.77
COC1=CC=CC(CC(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])=C1	REAL300012114176	1	41	-2.0	-128.24	369.23	6.89	-121.35
CC1(C)CCCC(NC(=O)[N-]C2=NC3=CC=CC=C3S2)(C(=O)[O-])C1	REAL300012114177	1	43	-2.0	-133.62	338.78	7.61	-126.01
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114178	1	32	-2.0	-137.44	288.29	7.14	-130.30
CC(CC1=CC=C(Cl)C=C1)(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114179	1	40	-2.0	-125.32	359.64	8.23	-117.09
CC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012114180	1	39	-2.0	-132.10	353.84	8.06	-124.04
COC1CN(C(=O)[N-]C2=NC3=CC=CC=C3S2)C(C)(C(=O)[O-])C1	REAL300012114181	1	38	-2.0	-131.12	332.26	6.09	-125.03
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114182	1	41	-2.0	-126.22	348.51	6.07	-120.15
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114183	1	36	-2.0	-125.56	310.55	5.69	-119.87
C=C(Cl)CC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114184	1	31	-2.0	-120.89	310.61	5.61	-115.28
C=C(C)CC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114185	1	34	-2.0	-122.99	314.36	5.78	-117.21
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114186	1	35	-2.0	-137.02	301.84	7.90	-129.12
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114187	1	32	-2.0	-123.79	291.89	2.48	-121.31
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114188	1	40	-2.0	-125.08	349.32	7.78	-117.30
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114189	1	31	-2.0	-121.56	294.91	6.74	-114.82
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114190	1	31	-2.0	-119.18	286.34	6.21	-112.97
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=CC=CC=C3S2)C1	REAL300012114191	1	32	-2.0	-133.36	295.19	7.02	-126.34
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114192	1	41	-2.0	-123.13	348.36	6.10	-117.03
CC(C)C[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114193	1	36	-2.0	-124.91	319.81	5.93	-118.98
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCOCC1	REAL300012114194	1	38	-2.0	-124.46	328.46	4.57	-119.89
O=C([N-]C1=NC2=CC=CC=C2S1)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012114195	1	34	-2.0	-131.72	317.50	6.64	-125.08
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=CC=CC(C(F)(F)F)=C1	REAL300012114196	1	37	-2.0	-126.57	356.22	7.63	-118.94
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114197	1	34	-2.0	-124.44	312.12	6.13	-118.31
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114198	1	33	-2.0	-123.11	326.33	4.74	-118.37
CC(C)CCCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114199	1	42	-2.0	-124.17	362.58	7.41	-116.76
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114200	1	40	-2.0	-128.93	369.11	8.10	-120.83
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114201	1	38	-2.0	-131.45	337.53	4.95	-126.50
CSCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114202	1	31	-2.0	-123.68	304.82	4.97	-118.71
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114203	1	37	-2.0	-121.14	345.94	7.71	-113.43
CCC(C)CC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114204	1	39	-2.0	-126.14	338.28	6.56	-119.58
C=CCCCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114205	1	37	-2.0	-123.58	336.32	6.70	-116.88
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114206	1	37	-2.0	-121.08	345.89	7.71	-113.37
O=C([N-]C1=NC2=CC=CC=C2S1)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012114207	1	40	-2.0	-125.64	358.62	9.04	-116.60
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114208	1	32	-2.0	-131.81	294.02	8.01	-123.80
CC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012114209	1	37	-2.0	-133.74	325.60	7.38	-126.36
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114210	1	35	-2.0	-140.19	304.09	8.24	-131.95
CCN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C(C)(C)C(=O)[O-]	REAL300012114211	1	36	-2.0	-129.27	307.12	7.58	-121.69
CCCN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C(C)C(=O)[O-]	REAL300012114212	1	36	-2.0	-116.47	314.31	7.60	-108.87
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114213	1	39	-2.0	-123.75	339.22	8.14	-115.61
O=C([N-]C1=NC2=CC=CC=C2S1)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012114214	1	34	-2.0	-131.65	317.28	6.71	-124.94
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=CC=C(C(F)(F)F)C=C1	REAL300012114215	1	37	-2.0	-122.48	356.01	7.72	-114.76
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114216	1	39	-2.0	-123.14	357.39	6.64	-116.50
C=CCCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114217	1	34	-2.0	-123.61	315.66	5.88	-117.73
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114218	1	33	-2.0	-125.04	326.29	4.57	-120.47
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114219	1	34	-2.0	-116.81	344.98	6.40	-110.41
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=CC=CC=C3S2)CC1=O	REAL300012114220	1	35	-2.0	-127.65	310.32	5.94	-121.71
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114221	1	34	-2.0	-124.30	296.96	6.66	-117.64
O=C([N-]C1=NC2=CC=CC=C2S1)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012114222	1	34	-2.0	-131.49	316.88	6.67	-124.82
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114223	1	37	-2.0	-129.70	326.95	5.91	-123.79
O=C([O-])CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCCC1	REAL300012114224	1	37	-2.0	-120.86	317.73	8.23	-112.63
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114225	1	36	-2.0	-125.89	312.59	5.53	-120.36
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CC(CO)C1	REAL300012114226	1	35	-2.0	-136.53	313.03	2.40	-134.13
CCN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012114227	1	43	-2.0	-131.36	365.20	10.76	-120.60
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114228	1	43	-2.0	-130.03	364.04	5.90	-124.13
CC1CCC(NC(=O)[N-]C2=NC3=CC=CC=C3S2)(C(=O)[O-])C1	REAL300012114229	1	37	-2.0	-132.04	317.41	6.25	-125.79
CC1(C)CCCC1(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114230	1	40	-2.0	-135.02	325.31	6.88	-128.14
COCCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114231	1	34	-2.0	-121.35	314.19	3.64	-117.71
CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012114232	1	40	-2.0	-116.62	352.43	9.82	-106.80
CC1(C)CC(NC(=O)[N-]C2=NC3=CC=CC=C3S2)(C(=O)[O-])C1	REAL300012114233	1	37	-2.0	-133.11	318.91	6.93	-126.18
CC1CCC(NC(=O)[N-]C2=NC3=CC=CC=C3S2)(C(=O)[O-])C2=CC=CC=C21	REAL300012114234	1	44	-2.0	-141.24	366.37	8.97	-132.27
CC1(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])CC1	REAL300012114235	1	34	-2.0	-127.89	304.96	5.92	-121.97
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114236	1	43	-2.0	-130.23	365.69	5.80	-124.43
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114237	1	32	-2.0	-132.02	291.92	2.66	-129.36
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114238	1	42	-2.0	-131.72	361.80	10.52	-121.20
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCOC1	REAL300012114239	1	35	-2.0	-121.74	314.07	3.70	-118.04
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114240	1	35	-2.0	-128.22	302.02	7.21	-121.01
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=CNC2=CC=CC=C12	REAL300012114241	1	38	-2.0	-138.45	349.64	6.68	-131.77
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC3=CC=CC=C3S1)C2	REAL300012114242	1	33	-2.0	-132.04	295.28	5.43	-126.61
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=CC=CC=C3S2)C1	REAL300012114243	1	37	-2.0	-140.39	310.22	8.85	-131.54
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114244	1	40	-2.0	-126.69	354.87	7.93	-118.76
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114245	1	41	-2.0	-126.93	354.03	7.70	-119.23
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCC1	REAL300012114246	1	34	-2.0	-126.62	301.47	5.54	-121.08
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCCCC1	REAL300012114247	1	40	-2.0	-128.46	334.42	6.84	-121.62
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCC1	REAL300012114248	1	34	-2.0	-126.62	301.47	5.54	-121.08
CC1CCN(C(=O)[N-]C2=NC3=CC=CC=C3S2)C1C(=O)[O-]	REAL300012114249	1	34	-2.0	-135.52	304.65	6.79	-128.73
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114250	1	41	-2.0	-128.00	353.34	6.37	-121.63
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114251	1	41	-2.0	-129.29	327.66	7.97	-121.32
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114252	1	40	-2.0	-127.30	370.84	9.06	-118.24
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC3=CC=CC=C3S1)C2C(=O)[O-]	REAL300012114253	1	41	-2.0	-146.78	348.28	10.53	-136.25
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114254	1	35	-2.0	-133.12	305.41	7.64	-125.48
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114255	1	41	-2.0	-126.93	354.03	7.70	-119.23
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114256	1	37	-2.0	-123.26	345.95	7.71	-115.55
COC1CC(NC(=O)[N-]C2=NC3=CC=CC=C3S2)(C(=O)[O-])C1	REAL300012114257	1	35	-2.0	-127.94	314.06	4.09	-123.85
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CC(F)(F)C1	REAL300012114258	1	31	-2.0	-124.63	290.90	5.25	-119.38
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1(C(F)(F)F)CC1	REAL300012114259	1	34	-2.0	-122.61	321.41	6.32	-116.29
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=CC=CC=C3S2)(C(=O)[O-])C1	REAL300012114260	1	35	-2.0	-133.61	314.77	4.48	-129.13
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114261	1	37	-2.0	-133.84	312.67	8.06	-125.78
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114262	1	30	-2.0	-117.35	296.45	5.29	-112.06
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114263	1	38	-2.0	-124.55	334.91	4.64	-119.91
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114264	1	34	-2.0	-123.99	331.65	6.63	-117.36
COCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012114265	1	41	-2.0	-134.82	358.29	6.55	-128.27
CC(C)C(C)(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114266	1	36	-2.0	-127.75	300.40	5.50	-122.25
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114267	1	32	-2.0	-129.05	287.18	7.26	-121.79
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114268	1	43	-2.0	-127.10	361.67	7.77	-119.33
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114269	1	40	-2.0	-125.87	362.75	8.35	-117.52
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114270	1	40	-2.0	-125.84	362.75	8.35	-117.49
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1CC2CCC1C2	REAL300012114271	1	41	-2.0	-129.90	344.04	7.40	-122.50
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114272	1	43	-2.0	-127.09	361.70	7.77	-119.32
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114273	1	43	-2.0	-126.93	360.84	7.78	-119.15
COC1=CC=C(CC(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300012114274	1	41	-2.0	-125.20	369.03	6.94	-118.26
C=CCSCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114275	1	35	-2.0	-124.32	339.10	6.43	-117.89
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300012114276	1	38	-2.0	-120.12	360.59	7.97	-112.15
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114277	1	41	-2.0	-137.90	379.17	7.62	-130.28
COC1(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])CCC1	REAL300012114278	1	38	-2.0	-130.15	330.08	5.00	-125.15
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CCC(C(F)F)CC1	REAL300012114279	1	40	-2.0	-130.09	342.47	7.53	-122.56
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CCC2=CC=CC=C2C1	REAL300012114280	1	41	-2.0	-135.76	348.82	8.65	-127.11
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CC(C(F)F)C1	REAL300012114281	1	34	-2.0	-133.22	314.47	6.06	-127.16
O=C([O-])C1CC(NC(=O)NC2=NC3=CC=CC=C3S2)(C(=O)[O-])C1	REAL300012114282	0	34	-2.0	-131.22	314.62	7.00	-124.22
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=CC=CC=C3S2)(C(=O)[O-])C1	REAL300012114282	1	33	-3.0	-210.06	311.35	5.81	-204.25
CC(C)(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300012114283	1	46	-2.0	-131.63	393.49	9.04	-122.59
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300012114284	1	43	-2.0	-131.48	377.51	8.64	-122.84
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114285	1	31	-2.0	-119.18	286.34	6.21	-112.97
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114286	1	36	-2.0	-126.67	310.47	8.22	-118.45
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114287	1	33	-2.0	-129.03	296.36	6.98	-122.05
CC1(C)CCN(C(=O)[N-]C2=NC3=CC=CC=C3S2)C1C(=O)[O-]	REAL300012114288	1	37	-2.0	-136.19	315.91	7.36	-128.83
CCOC1=CC=C(C(NC(=O)[N-]C2=NC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300012114289	1	41	-2.0	-128.77	368.61	6.93	-121.84
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114290	1	41	-2.0	-142.79	339.49	9.72	-133.07
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCC2=CC=CC=C21	REAL300012114291	1	41	-2.0	-127.37	352.83	8.18	-119.19
CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114292	1	41	-2.0	-132.81	359.94	7.62	-125.19
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114293	1	37	-2.0	-124.35	353.49	7.62	-116.73
CC(C)CCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114294	1	39	-2.0	-124.19	341.08	6.65	-117.54
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114295	1	38	-2.0	-133.12	331.57	8.11	-125.01
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114296	1	38	-2.0	-124.55	334.91	4.64	-119.91
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=CC=CC=C3S2)C1	REAL300012114297	1	35	-2.0	-128.65	325.01	7.74	-120.91
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CCCC2CC21	REAL300012114298	1	38	-2.0	-134.81	316.57	7.37	-127.44
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CCC2CC21	REAL300012114299	1	35	-2.0	-133.21	303.84	6.46	-126.75
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CC2(CCC2)C1	REAL300012114300	1	38	-2.0	-133.32	325.10	6.83	-126.49
CN(C(=O)[N-]C1=NC2=CC=CC=C2S1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012114301	1	40	-2.0	-116.50	352.41	9.92	-106.58
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC3=CC=CC=C3S1)CCCCC2	REAL300012114302	1	44	-2.0	-133.27	358.45	9.06	-124.21
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCCC1	REAL300012114303	1	37	-2.0	-127.45	317.52	6.15	-121.30
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114304	1	34	-2.0	-126.32	311.35	3.80	-122.52
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114305	1	34	-2.0	-134.10	304.33	6.24	-127.86
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114306	1	37	-2.0	-123.47	340.39	9.66	-113.81
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=CC=CC=C3S2)C1	REAL300012114307	1	37	-2.0	-130.94	322.14	7.41	-123.53
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114308	1	38	-2.0	-130.78	343.12	9.93	-120.85
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114309	1	34	-2.0	-129.97	305.36	8.09	-121.88
O=C([O-])C1N(C(=O)[N-]C2=NC3=CC=CC=C3S2)CCC1(F)F	REAL300012114310	1	31	-2.0	-129.14	293.64	6.70	-122.44
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114311	1	37	-2.0	-123.26	345.95	7.71	-115.55
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114312	1	34	-2.0	-123.29	330.37	6.58	-116.71
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114313	1	34	-2.0	-125.33	311.52	7.34	-117.99
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CC2(CC(F)(F)C2)C1	REAL300012114314	1	38	-2.0	-131.28	344.29	7.27	-124.01
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114315	1	42	-2.0	-124.18	367.14	8.53	-115.65
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114316	1	34	-2.0	-123.29	330.37	6.58	-116.71
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114317	1	38	-2.0	-137.84	320.24	7.97	-129.87
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=CC=C(O)C=C1	REAL300012114318	1	35	-2.0	-128.43	328.28	3.86	-124.57
COCCCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114319	1	37	-2.0	-124.37	335.68	4.43	-119.94
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114320	1	36	-2.0	-116.18	315.38	7.61	-108.57
CCOCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114321	1	34	-2.0	-126.68	314.57	3.77	-122.91
CC(C)(C)CC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114322	1	39	-2.0	-125.11	331.32	6.98	-118.13
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCCCO1	REAL300012114323	1	38	-2.0	-130.31	331.84	4.70	-125.61
O=C([O-])C1(NC(=O)[N-]C2=NC3=CC=CC=C3S2)CC2=CC=CC=C2C1	REAL300012114324	1	38	-2.0	-135.41	335.46	7.78	-127.63
C[C@H]1OCCN(C(=O)[N-]C2=NC3=CC=CC=C3S2)[C@@H]1C(=O)[O-]	REAL300012114325	1	35	-2.0	-125.66	303.24	5.76	-119.90
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114326	1	37	-2.0	-109.81	323.01	7.36	-102.45
N#CCCC(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C(=O)[O-]	REAL300012114327	1	31	-2.0	-116.81	301.37	5.09	-111.72
O=C([O-])C(NC(=O)[N-]C1=NC2=CC=CC=C2S1)C12CC3CC(CC(C3)C1)C2	REAL300012114328	1	48	-2.0	-134.78	373.23	8.73	-126.05
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114329	1	40	-2.0	-128.38	365.08	7.93	-120.45
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114330	1	34	-2.0	-123.31	322.05	7.80	-115.51
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114331	1	45	-2.0	-139.27	355.49	8.69	-130.58
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300012114332	1	36	-2.0	-121.19	351.51	6.19	-115.00
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=CC=CC=C3S2)C1	REAL300012114333	1	38	-2.0	-120.30	334.22	6.12	-114.18
O=C([O-])C1CC(NC(=O)NC2=CC=C([N+](=O)[O-])C=C2Cl)(C(=O)[O-])C1	REAL300012114575	0	34	-2.0	-106.66	321.64	7.10	-99.56
CC1=NC(C2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)=CC(=O)N1	REAL300012114814	0	44	-2.0	-122.36	377.79	6.18	-116.18
CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300012114850	1	34	-2.0	-113.38	311.27	5.34	-108.04
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012114851	1	34	-2.0	-114.80	312.75	7.42	-107.38
CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300012114852	1	34	-2.0	-113.38	311.27	5.34	-108.04
CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300012114853	1	34	-2.0	-115.05	326.87	5.56	-109.49
CC1=CSC([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300012114854	1	40	-2.0	-118.61	355.76	7.31	-111.30
CC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300012114855	1	40	-2.0	-114.47	333.23	5.53	-108.94
CC1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300012114856	1	37	-2.0	-115.11	324.96	8.07	-107.04
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300012114857	1	34	-2.0	-119.44	311.27	5.05	-114.39
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300012114858	1	37	-2.0	-122.18	335.60	6.72	-115.46
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300012114859	1	32	-2.0	-112.11	280.93	4.10	-108.01
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C)=CS1	REAL300012114860	1	40	-2.0	-112.96	335.16	8.08	-104.88
COC(=O)C1CCN(C(=O)[N-]C2=NC(C)=CS2)C(C(=O)[O-])C1	REAL300012114861	1	37	-2.0	-107.42	321.83	5.59	-101.83
CC1=CSC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300012114862	1	30	-2.0	-106.85	293.40	5.55	-101.30
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300012114863	1	32	-2.0	-116.27	300.65	1.59	-114.68
CC1=CSC([N-]C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012114864	1	34	-2.0	-108.18	345.56	6.34	-101.84
CC1=CSC([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])=N1	REAL300012114865	1	38	-2.0	-108.03	325.38	5.31	-102.72
CC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=N1	REAL300012114866	1	38	-2.0	-127.05	329.11	8.66	-118.39
COC(=O)C1CCC(NC(=O)[N-]C2=NC(C)=CS2)(C(=O)[O-])CC1	REAL300012114867	1	40	-2.0	-118.30	331.56	4.33	-113.97
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300012114868	1	31	-2.0	-109.35	302.61	4.49	-104.86
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300012114869	1	31	-2.0	-109.99	312.50	4.94	-105.05
CC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300012114870	1	34	-2.0	-109.46	320.16	6.89	-102.57
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=N1	REAL300012114871	1	34	-2.0	-112.31	316.36	5.15	-107.16
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300012114872	1	36	-2.0	-117.63	325.80	4.21	-113.42
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300012114873	1	37	-2.0	-121.39	332.68	5.70	-115.69
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=N1	REAL300012114874	1	37	-2.0	-121.06	328.09	5.66	-115.40
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1O	REAL300012114875	1	36	-2.0	-116.84	330.14	1.50	-115.34
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1Cl	REAL300012114876	1	35	-2.0	-115.50	335.43	4.23	-111.27
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=N1	REAL300012114877	1	37	-2.0	-120.30	320.63	5.51	-114.79
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1F	REAL300012114878	1	35	-2.0	-115.54	325.38	3.83	-111.71
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012114879	1	37	-2.0	-108.58	351.50	8.42	-100.16
CC1=CSC([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300012114880	1	35	-2.0	-126.31	304.73	7.85	-118.46
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=N1	REAL300012114881	1	34	-2.0	-109.75	329.50	7.94	-101.81
CC1=CSC([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300012114882	1	38	-2.0	-119.09	340.34	5.43	-113.66
COC1=CC(CN(CC(=O)[O-])C(=O)[N-]C2=NC(C)=CS2)=CC(OC)=C1	REAL300012114883	1	42	-2.0	-118.95	371.75	6.03	-112.92
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300012114884	1	31	-2.0	-112.32	310.91	5.09	-107.23
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300012114885	1	34	-2.0	-109.36	319.18	7.49	-101.87
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300012114886	1	35	-2.0	-121.87	307.84	5.47	-116.40
CC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300012114887	1	34	-2.0	-102.55	331.70	7.31	-95.24
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300012114888	1	31	-2.0	-118.08	300.75	4.54	-113.54
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300012114889	1	34	-2.0	-120.76	297.98	5.09	-115.67
CCCCCCC(C)(NC(=O)[N-]C1=NC(C)=CS1)C(=O)[O-]	REAL300012114890	1	42	-2.0	-115.35	343.86	5.68	-109.67
CC1=CSC([N-]C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300012114891	1	37	-2.0	-106.30	324.76	7.73	-98.57
CC1=CSC([N-]C(=O)N(C(CC2=CC=CC=C2)C(=O)[O-])C2CC2)=N1	REAL300012114892	1	41	-2.0	-105.24	350.89	10.23	-95.01
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)=N1	REAL300012114893	1	35	-2.0	-116.41	334.84	5.28	-111.13
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300012114894	1	31	-2.0	-112.34	306.35	4.99	-107.35
COC(=O)CC[C@@H](NC(=O)[N-]C1=NC(C)=CS1)C(=O)[O-]	REAL300012114895	1	33	-2.0	-111.47	308.95	3.16	-108.31
CC1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300012114896	1	37	-2.0	-114.72	335.17	8.20	-106.52
CC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300012114897	1	34	-2.0	-113.07	299.43	6.36	-106.71
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)=N1	REAL300012114898	1	34	-2.0	-110.72	334.06	8.03	-102.69
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300012114899	1	35	-2.0	-125.81	304.58	5.35	-120.46
CCCN(C(=O)[N-]C1=NC(C)=CS1)C(COC)C(=O)[O-]	REAL300012114900	1	37	-2.0	-109.71	313.99	4.82	-104.89
CC1=CSC([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300012114901	1	38	-2.0	-119.13	345.81	5.32	-113.81
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300012114902	1	32	-2.0	-118.27	300.93	1.52	-116.75
CC1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300012114903	1	37	-2.0	-114.72	335.17	8.20	-106.52
CCC1CCC(NC(=O)[N-]C2=NC(C)=CS2)(C(=O)[O-])CC1	REAL300012114904	1	40	-2.0	-118.93	322.30	5.68	-113.25
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300012114905	1	34	-2.0	-111.42	329.88	6.07	-105.35
CC1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC(Br)=C2)=N1	REAL300012114906	1	37	-2.0	-110.55	345.81	8.90	-101.65
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300012114907	1	31	-2.0	-119.25	300.65	4.85	-114.40
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300012114908	1	31	-2.0	-122.98	294.05	4.54	-118.44
CC1=CSC([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300012114909	1	35	-2.0	-118.52	306.88	7.19	-111.33
CC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC(F)=C(F)C(F)=C2)=N1	REAL300012114910	1	34	-2.0	-108.46	319.71	6.76	-101.70
C=CCN(C(=O)[N-]C1=NC(C)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012114911	1	41	-2.0	-103.74	352.74	8.96	-94.78
COC1CCCC(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C1	REAL300012114912	1	41	-2.0	-118.59	339.94	3.51	-115.08
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC(C)=CS2)=C1	REAL300012114913	1	38	-2.0	-115.49	328.94	5.66	-109.83
COC1=CC=CC(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])=C1	REAL300012114914	1	35	-2.0	-120.83	319.17	3.75	-117.08
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)=N1	REAL300012114915	1	31	-2.0	-118.57	305.00	4.88	-113.69
CC1=CSC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300012114916	1	32	-2.0	-114.90	289.47	5.32	-109.58
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])=C1	REAL300012114917	1	35	-2.0	-120.65	318.76	3.71	-116.94
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C)=CS2)C1	REAL300012114918	1	37	-2.0	-119.78	321.08	6.27	-113.51
COC1=CC=CC(CC(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])=C1	REAL300012114919	1	38	-2.0	-116.40	341.36	4.69	-111.71
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300012114920	1	40	-2.0	-120.50	311.16	5.30	-115.20
CC1=CSC([N-]C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])=N1	REAL300012114921	1	31	-2.0	-113.11	316.19	5.09	-108.02
CC1=CSC([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=N1	REAL300012114922	1	37	-2.0	-112.94	332.03	5.94	-107.00
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012114923	1	36	-2.0	-120.27	326.19	5.76	-114.51
CC1=CSC([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300012114924	1	38	-2.0	-114.22	320.65	3.89	-110.33
CC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=C(Br)S2)=N1	REAL300012114925	1	31	-2.0	-103.23	313.65	6.06	-97.17
CC1=CSC([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012114926	1	37	-2.0	-112.74	321.71	5.49	-107.25
CC1=CSC([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300012114927	1	38	-2.0	-112.42	324.35	3.14	-109.28
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300012114928	1	34	-2.0	-114.17	328.36	5.45	-108.72
CC1=CSC([N-]C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012114929	1	38	-2.0	-108.89	357.25	5.14	-103.75
CC1=CSC([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])=N1	REAL300012114930	1	30	-2.0	-111.55	298.71	2.47	-109.08
CC1=CSC([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300012114931	1	37	-2.0	-116.59	341.48	5.84	-110.75
CC1=CSC([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012114932	1	34	-2.0	-109.37	318.27	5.45	-103.92
CC1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012114933	1	34	-2.0	-109.41	318.27	5.45	-103.96
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=N1	REAL300012114934	1	37	-2.0	-126.90	330.61	6.53	-120.37
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300012114935	1	35	-2.0	-120.39	333.22	4.35	-116.04
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300012114936	1	34	-2.0	-120.76	297.98	5.09	-115.67
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300012114937	1	34	-2.0	-117.86	319.26	5.70	-112.16
CC1=CSC([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300012114938	1	36	-2.0	-113.03	311.60	5.90	-107.13
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012114939	1	34	-2.0	-110.67	328.35	5.46	-105.21
CC1=CSC([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300012114940	1	36	-2.0	-111.45	330.01	4.32	-107.13
CC1=CSC([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300012114941	1	30	-2.0	-112.80	298.68	2.31	-110.49
CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300012114942	1	34	-2.0	-114.58	330.41	5.63	-108.95
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C(Br)=C2)=N1	REAL300012114943	1	32	-2.0	-113.97	321.09	2.28	-111.69
CC1=CSC([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300012114944	1	31	-2.0	-105.59	317.95	4.19	-101.40
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)=N1	REAL300012114945	1	28	-2.0	-110.88	302.17	4.08	-106.80
CC1=CSC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300012114946	1	34	-2.0	-119.77	303.68	3.66	-116.11
CC1=CSC([N-]C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])=N1	REAL300012114947	1	45	-2.0	-116.60	402.52	8.22	-108.38
CCN(C(=O)[N-]C1=NC(C)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012114948	1	40	-2.0	-118.93	337.58	8.47	-110.46
CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N1	REAL300012114949	1	40	-2.0	-118.11	337.20	3.61	-114.50
CC1=CSC([N-]C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300012114950	1	37	-2.0	-106.30	324.76	7.73	-98.57
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=N1	REAL300012114951	1	41	-2.0	-129.06	338.56	6.61	-122.45
CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N1	REAL300012114952	1	40	-2.0	-117.89	337.61	3.59	-114.30
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)=N1	REAL300012114953	1	45	-2.0	-121.69	391.13	6.62	-115.07
CC1=CSC([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=N1	REAL300012114954	1	39	-2.0	-123.52	334.28	8.14	-115.38
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=N1	REAL300012114955	1	35	-2.0	-125.40	321.81	4.45	-120.95
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300012114956	1	37	-2.0	-114.23	326.15	5.64	-108.59
CC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300012114957	1	38	-2.0	-114.38	326.31	5.51	-108.87
CC1=CSC([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300012114958	1	38	-2.0	-115.94	325.72	4.11	-111.83
CC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300012114959	1	38	-2.0	-124.47	301.80	6.17	-118.30
CC1=CSC([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=N1	REAL300012114960	1	37	-2.0	-115.00	343.22	6.79	-108.21
CC1=CSC([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])=N1	REAL300012114961	1	38	-2.0	-119.44	324.45	7.68	-111.76
CC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300012114962	1	38	-2.0	-114.38	326.31	5.51	-108.87
CC1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300012114963	1	34	-2.0	-111.09	318.33	5.45	-105.64
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300012114964	1	31	-2.0	-108.56	294.21	3.81	-104.75
CC1=CSC([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300012114965	1	31	-2.0	-111.84	303.78	4.43	-107.41
COCC(NC(=O)[N-]C1=NC(C)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300012114966	1	38	-2.0	-122.26	330.89	4.28	-117.98
CC1=CSC([N-]C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012114967	1	34	-2.0	-109.51	333.40	5.94	-103.57
CC1=CSC([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])=N1	REAL300012114968	1	38	-2.0	-115.67	351.10	4.98	-110.69
CC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300012114969	1	40	-2.0	-114.47	333.23	5.53	-108.94
CC1=CSC([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300012114970	1	37	-2.0	-113.78	335.13	6.09	-107.69
CC1=CSC([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300012114971	1	37	-2.0	-113.75	335.13	6.09	-107.66
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300012114972	1	38	-2.0	-117.01	315.53	5.16	-111.85
CC1=CSC([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300012114973	1	40	-2.0	-114.72	334.10	5.51	-109.21
CC1=CSC([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300012114974	1	40	-2.0	-114.76	334.06	5.50	-109.26
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)=N1	REAL300012114975	1	38	-2.0	-119.47	354.22	4.92	-114.55
COC1=CC=C(CC(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1	REAL300012114976	1	38	-2.0	-113.56	340.76	4.65	-108.91
C=CCSCC(NC(=O)[N-]C1=NC(C)=CS1)C(=O)[O-]	REAL300012114977	1	32	-2.0	-112.28	311.46	4.17	-108.11
CC1=CSC([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=N1	REAL300012114978	1	35	-2.0	-108.73	332.91	5.72	-103.01
CC1=CSC([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=N1	REAL300012114979	1	38	-2.0	-125.98	344.00	5.58	-120.40
COC1=CC=C2NC=C(CC(NC(=O)[N-]C3=NC(C)=CS3)C(=O)[O-])C2=C1	REAL300012114980	1	42	-2.0	-124.86	370.39	4.75	-120.11
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=N1	REAL300012114981	1	37	-2.0	-114.46	315.64	5.26	-109.20
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=N1	REAL300012114982	1	38	-2.0	-122.11	321.20	6.34	-115.77
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300012114983	1	31	-2.0	-114.15	284.96	3.64	-110.51
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300012114984	1	43	-2.0	-119.08	365.82	6.79	-112.29
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300012114985	1	40	-2.0	-118.97	350.11	6.30	-112.67
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1	REAL300012114986	1	38	-2.0	-116.55	341.23	4.59	-111.96
CC1=CSC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300012114987	1	38	-2.0	-126.83	310.56	7.26	-119.57
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300012114988	1	38	-2.0	-115.78	330.34	6.28	-109.50
CC1=CSC([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=N1	REAL300012114989	1	38	-2.0	-119.96	332.32	5.33	-114.63
CC1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=N1	REAL300012114990	1	34	-2.0	-111.94	325.27	5.32	-106.62
CC1=CSC([N-]C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])=N1	REAL300012114991	1	34	-2.0	-110.87	333.21	6.00	-104.87
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=CS2)C1	REAL300012114992	1	32	-2.0	-115.65	297.61	5.44	-110.21
CC1=CSC([N-]C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300012114993	1	37	-2.0	-106.26	324.86	7.67	-98.59
CC1=CSC([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=N1	REAL300012114994	1	41	-2.0	-124.98	330.82	6.80	-118.18
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012114995	1	34	-2.0	-114.80	312.75	7.42	-107.38
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012114996	1	41	-2.0	-119.87	364.08	7.77	-112.10
CC1=CSC([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=N1	REAL300012114997	1	35	-2.0	-116.56	315.46	7.62	-108.94
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012114998	1	37	-2.0	-113.08	336.72	6.09	-106.99
CC1=CSC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300012114999	1	31	-2.0	-115.30	277.66	5.84	-109.46
CC1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300012115000	1	34	-2.0	-111.09	318.33	5.45	-105.64
CC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300012115001	1	31	-2.0	-111.51	302.99	4.26	-107.25
CC1=CSC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300012115002	1	31	-2.0	-113.24	283.91	5.04	-108.20
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=N1	REAL300012115003	1	35	-2.0	-117.88	316.67	4.96	-112.92
CC1=CSC([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=N1	REAL300012115004	1	39	-2.0	-119.53	343.34	6.51	-113.02
CC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300012115005	1	31	-2.0	-111.51	302.99	4.26	-107.25
CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300012115006	1	32	-2.0	-116.29	300.92	1.53	-114.76
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300012115007	1	31	-2.0	-114.87	310.96	5.07	-109.80
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300012115008	1	35	-2.0	-121.87	307.84	5.47	-116.40
CC1=CSC([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=N1	REAL300012115009	1	34	-2.0	-105.16	297.01	5.50	-99.66
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=N1	REAL300012115010	1	45	-2.0	-121.35	344.67	6.42	-114.93
CC1=CSC([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=N1	REAL300012115011	1	37	-2.0	-116.19	337.51	5.66	-110.53
CC1=CSC([N-]C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])=N1	REAL300012115012	1	35	-2.0	-111.59	328.73	7.64	-103.95
CC1=CSC([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=N1	REAL300012115013	1	42	-2.0	-124.83	327.87	6.37	-118.46
CC1=CSC([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012115014	1	33	-2.0	-109.92	323.65	4.00	-105.92
COC1=CC2=C(C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC1=C2C=CC=C1	REAL300012115174	0	45	-2.0	-126.79	381.49	7.93	-118.86
O=C([O-])C1CC(NC(=O)NC2=CC=C3C(=O)NC(=O)C3=C2)(C(=O)[O-])C1	REAL300012115445	0	36	-2.0	-126.15	325.02	2.81	-123.34
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCCCCC1	REAL300012115497	1	44	-2.0	-129.38	347.08	8.65	-120.73
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115498	1	41	-2.0	-123.13	370.29	8.83	-114.30
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115499	1	41	-2.0	-121.21	370.93	10.93	-110.28
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=CC=C1	REAL300012115500	1	38	-2.0	-129.20	348.09	7.89	-121.31
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=CC=C1	REAL300012115501	1	38	-2.0	-129.18	348.06	7.90	-121.28
CCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115502	1	34	-2.0	-120.63	311.91	5.83	-114.80
CC(C)C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115503	1	37	-2.0	-122.23	324.01	6.15	-116.08
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115504	1	32	-2.0	-124.20	301.38	1.70	-122.50
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115505	1	32	-2.0	-124.20	301.38	1.70	-122.50
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115506	1	41	-2.0	-123.13	370.29	8.83	-114.30
CCC(C)C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115507	1	40	-2.0	-123.57	342.58	6.80	-116.77
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115508	1	38	-2.0	-136.42	324.36	9.28	-127.14
CCOC(=O)C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115509	1	37	-2.0	-117.61	345.99	6.02	-111.59
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115510	1	38	-2.0	-136.42	324.36	9.28	-127.14
CCCC(C)(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115511	1	40	-2.0	-124.58	337.55	6.89	-117.69
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115512	1	37	-2.0	-119.55	322.26	8.27	-111.28
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CC1	REAL300012115513	1	35	-2.0	-119.98	317.21	8.28	-111.70
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115514	1	35	-2.0	-118.35	324.76	8.49	-109.86
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115515	1	40	-2.0	-117.85	347.86	8.99	-108.86
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115516	1	47	-2.0	-124.46	392.00	9.08	-115.38
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115517	1	44	-2.0	-120.79	383.14	11.59	-109.20
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300012115518	1	41	-2.0	-129.45	369.45	8.57	-120.88
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115519	1	34	-2.0	-114.99	327.62	6.59	-108.40
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCSCC1	REAL300012115520	1	39	-2.0	-121.89	339.11	7.66	-114.23
COCC(C)(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115521	1	38	-2.0	-126.76	334.29	5.44	-121.32
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115522	1	41	-2.0	-115.27	357.02	7.51	-107.76
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115523	1	40	-2.0	-117.85	347.86	8.99	-108.86
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115524	1	47	-2.0	-117.95	393.35	11.60	-106.35
COC(=O)C1CCN(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(C(=O)[O-])C1	REAL300012115525	1	44	-2.0	-116.30	380.02	9.10	-107.20
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115526	1	37	-2.0	-112.64	351.58	9.07	-103.57
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCOC1	REAL300012115527	1	36	-2.0	-122.89	317.56	4.29	-118.60
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCCCC1	REAL300012115528	1	44	-2.0	-124.05	367.74	8.24	-115.81
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=C(O)C=C1	REAL300012115529	1	39	-2.0	-125.83	358.84	5.11	-120.72
CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(COC1CCC1)C(=O)[O-]	REAL300012115530	1	45	-2.0	-116.62	384.18	8.91	-107.71
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115531	1	45	-2.0	-130.93	387.29	12.17	-118.76
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115532	1	39	-2.0	-141.46	332.27	6.69	-134.77
C=CC(C)C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115533	1	38	-2.0	-120.07	341.91	6.98	-113.09
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCOCC1	REAL300012115534	1	42	-2.0	-125.38	356.41	5.61	-119.77
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=C(F)C(F)=C1	REAL300012115535	1	38	-2.0	-118.20	360.75	8.02	-110.18
COC1CCN(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(C(=O)[O-])C1	REAL300012115536	1	42	-2.0	-135.68	357.00	8.25	-127.43
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCCOC1	REAL300012115537	1	42	-2.0	-121.19	355.80	5.71	-115.48
CC1CCN(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(C(=O)[O-])C1	REAL300012115538	1	41	-2.0	-137.50	338.70	9.62	-127.88
CC1=CC(C(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])=CC=C1F	REAL300012115539	1	41	-2.0	-121.71	374.54	8.67	-113.04
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=C2OCCC2=C1	REAL300012115540	1	43	-2.0	-127.22	383.38	7.77	-119.45
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])=C1	REAL300012115541	1	44	-2.0	-131.45	390.86	9.22	-122.23
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1C	REAL300012115542	1	44	-2.0	-131.07	386.27	9.18	-121.89
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1O	REAL300012115543	1	43	-2.0	-126.52	388.33	5.01	-121.51
CC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])=C1C	REAL300012115544	1	44	-2.0	-130.61	380.85	9.02	-121.59
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115545	1	42	-2.0	-138.48	362.91	11.44	-127.04
CC(C)(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115546	1	34	-2.0	-102.14	302.66	5.21	-96.93
CC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)(C(=O)[O-])C1CC1	REAL300012115547	1	38	-2.0	-126.54	328.77	6.98	-119.56
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=CS1	REAL300012115548	1	35	-2.0	-125.85	339.69	6.97	-118.88
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCCCC1	REAL300012115549	1	41	-2.0	-128.89	341.43	7.99	-120.90
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115550	1	37	-2.0	-119.55	322.26	8.27	-111.28
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115551	1	37	-2.0	-118.14	333.45	8.69	-109.45
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115552	1	34	-2.0	-118.54	311.95	7.93	-110.61
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115553	1	32	-2.0	-124.12	301.52	1.66	-122.46
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115554	1	40	-2.0	-123.21	342.43	6.83	-116.38
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCCC1	REAL300012115555	1	38	-2.0	-129.15	326.38	6.85	-122.30
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115556	1	41	-2.0	-110.64	371.31	10.71	-99.93
CCC(C)(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115557	1	37	-2.0	-123.71	316.05	6.16	-117.55
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CC2=CC=CC=C2C1	REAL300012115558	1	42	-2.0	-132.59	366.03	9.04	-123.55
COC(=O)CC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115559	1	37	-2.0	-124.08	345.23	6.01	-118.07
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC(F)=CC=C1F	REAL300012115560	1	38	-2.0	-127.28	358.69	8.11	-119.17
CC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012115561	1	41	-2.0	-130.87	356.17	8.65	-122.22
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115562	1	34	-2.0	-118.54	311.95	7.93	-110.61
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115563	1	49	-2.0	-125.32	402.04	9.25	-116.07
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115564	1	36	-2.0	-130.71	323.78	4.44	-126.27
CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012115565	1	44	-2.0	-114.39	382.95	11.25	-103.14
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CC1	REAL300012115566	1	32	-2.0	-128.13	296.24	5.96	-122.17
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=C(Cl)C=C1	REAL300012115567	1	38	-2.0	-121.87	364.78	8.41	-113.46
COC(=O)CC[C@@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115568	1	40	-2.0	-120.45	367.37	6.61	-113.84
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115569	1	36	-2.0	-130.01	315.67	6.85	-123.16
CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1(C(=O)[O-])CCCCC1	REAL300012115570	1	44	-2.0	-128.37	352.83	9.72	-118.65
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CC1	REAL300012115571	1	35	-2.0	-123.22	316.14	6.30	-116.92
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115572	1	44	-2.0	-121.25	393.36	11.71	-109.54
CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012115573	1	41	-2.0	-122.76	357.11	9.79	-112.97
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115574	1	38	-2.0	-119.03	343.33	7.10	-111.93
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115575	1	37	-2.0	-118.14	333.45	8.69	-109.45
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CC1	REAL300012115576	1	42	-2.0	-113.57	359.31	9.06	-104.51
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCC1	REAL300012115577	1	41	-2.0	-122.17	344.70	10.18	-111.99
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCC2=CC=CC=C21	REAL300012115578	1	42	-2.0	-136.26	362.76	8.91	-127.35
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115579	1	35	-2.0	-130.07	313.27	7.57	-122.50
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115580	1	38	-2.0	-136.60	324.44	9.31	-127.29
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115581	1	36	-2.0	-128.48	323.75	4.45	-124.03
CCCN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(COC)C(=O)[O-]	REAL300012115582	1	44	-2.0	-118.06	372.23	8.33	-109.73
CCCN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(CC)C(=O)[O-]	REAL300012115583	1	43	-2.0	-114.21	360.32	9.65	-104.56
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115584	1	35	-2.0	-129.62	312.50	7.83	-121.79
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCC1	REAL300012115585	1	35	-2.0	-128.39	313.07	6.48	-121.91
C=CCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115586	1	35	-2.0	-120.59	325.19	6.28	-114.31
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115587	1	38	-2.0	-129.10	329.66	8.39	-120.71
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115588	1	41	-2.0	-134.94	339.53	9.89	-125.05
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CC1	REAL300012115589	1	35	-2.0	-123.22	316.14	6.30	-116.92
CCCCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115590	1	40	-2.0	-121.37	354.91	7.37	-114.00
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=CC(O)=C1	REAL300012115591	1	39	-2.0	-128.12	358.87	5.11	-123.01
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115592	1	44	-2.0	-121.25	393.36	11.71	-109.54
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115593	1	38	-2.0	-129.07	329.60	8.38	-120.69
CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1(C(=O)[O-])CCCCC1	REAL300012115594	1	44	-2.0	-128.37	352.83	9.72	-118.65
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCCC1	REAL300012115595	1	41	-2.0	-118.72	348.29	9.50	-109.22
COCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115596	1	35	-2.0	-123.30	323.77	4.06	-119.24
CCCCCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115597	1	43	-2.0	-121.30	376.17	8.21	-113.09
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115598	1	40	-2.0	-122.96	341.09	6.95	-116.01
CCC1CCC(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)(C(=O)[O-])CC1	REAL300012115599	1	47	-2.0	-129.35	380.50	9.23	-120.12
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCOCC1	REAL300012115600	1	42	-2.0	-118.95	356.73	7.83	-111.12
CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1(C(=O)[O-])CCCC1	REAL300012115601	1	41	-2.0	-132.82	340.82	9.07	-123.75
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CC1	REAL300012115602	1	38	-2.0	-113.47	322.98	8.14	-105.33
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CC1	REAL300012115603	1	41	-2.0	-115.96	346.47	9.67	-106.29
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=CC=C1Cl	REAL300012115604	1	38	-2.0	-129.19	358.83	8.37	-120.82
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=CC=C1F	REAL300012115605	1	38	-2.0	-133.24	352.24	8.05	-125.19
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115606	1	42	-2.0	-128.36	365.04	10.66	-117.70
CC(C)C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115607	1	37	-2.0	-122.23	324.01	6.15	-116.08
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115608	1	38	-2.0	-136.42	324.36	9.28	-127.14
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115609	1	36	-2.0	-128.75	324.59	9.27	-119.48
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCCCC1	REAL300012115610	1	41	-2.0	-128.89	341.43	7.99	-120.90
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115611	1	35	-2.0	-129.63	312.52	7.83	-121.80
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCCC1	REAL300012115612	1	38	-2.0	-129.15	326.38	6.85	-122.30
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115613	1	40	-2.0	-122.55	350.61	7.12	-115.43
COC1CCCC(C(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])C1	REAL300012115614	1	48	-2.0	-128.20	397.44	7.10	-121.10
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115615	1	34	-2.0	-115.64	318.50	5.97	-109.67
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)=C1	REAL300012115616	1	45	-2.0	-124.41	386.54	9.08	-115.33
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCOCC1	REAL300012115617	1	42	-2.0	-118.95	356.73	7.83	-111.12
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCCCC1	REAL300012115618	1	44	-2.0	-120.22	365.69	10.21	-110.01
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)(C(=O)[O-])CC1	REAL300012115619	1	44	-2.0	-129.73	355.23	8.37	-121.36
COC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])=C1	REAL300012115620	1	42	-2.0	-130.75	377.35	7.26	-123.49
CC(CCF)(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115621	1	37	-2.0	-118.39	322.64	6.30	-112.09
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC=C(C3=CC=CC=C3)S1)OC=C2	REAL300012115622	1	39	-2.0	-124.49	347.65	8.83	-115.66
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])=C1	REAL300012115623	1	42	-2.0	-130.87	377.54	7.18	-123.69
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C1	REAL300012115624	1	44	-2.0	-131.42	379.27	9.86	-121.56
COC1=CC=CC(CC(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])=C1	REAL300012115625	1	45	-2.0	-125.76	399.79	8.15	-117.61
CC1(C)CCCC(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300012115626	1	47	-2.0	-131.00	369.34	8.87	-122.13
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115627	1	36	-2.0	-134.38	318.86	8.41	-125.97
COC1CN(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(C)(C(=O)[O-])C1	REAL300012115628	1	42	-2.0	-128.37	362.82	7.35	-121.02
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115629	1	45	-2.0	-123.53	378.84	7.40	-116.13
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115630	1	40	-2.0	-122.96	341.09	6.95	-116.01
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115631	1	35	-2.0	-118.33	340.16	7.00	-111.33
C=C(C)CC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115632	1	38	-2.0	-120.70	345.07	7.13	-113.57
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115633	1	39	-2.0	-133.97	332.40	9.16	-124.81
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115634	1	36	-2.0	-129.55	325.88	4.06	-125.49
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115635	1	44	-2.0	-122.29	379.89	9.05	-113.24
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115636	1	35	-2.0	-118.93	325.48	7.98	-110.95
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115637	1	35	-2.0	-124.01	318.97	7.93	-116.08
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C1	REAL300012115638	1	36	-2.0	-130.64	325.73	8.28	-122.36
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115639	1	45	-2.0	-122.01	383.13	6.70	-115.31
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115640	1	40	-2.0	-122.55	350.61	7.12	-115.43
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCOCC1	REAL300012115641	1	42	-2.0	-125.38	356.41	5.61	-119.77
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=CC=C1	REAL300012115642	1	38	-2.0	-129.18	348.06	7.90	-121.28
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115643	1	38	-2.0	-121.94	343.79	7.32	-114.62
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115644	1	37	-2.0	-119.79	356.84	6.03	-113.76
CC(C)CCCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115645	1	46	-2.0	-121.71	393.73	8.72	-112.99
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115646	1	42	-2.0	-127.83	366.14	6.72	-121.11
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115647	1	35	-2.0	-120.29	318.19	2.93	-117.36
CSCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115648	1	35	-2.0	-121.24	335.61	6.17	-115.07
COC[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115649	1	35	-2.0	-123.29	323.77	4.06	-119.23
CC[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115650	1	34	-2.0	-120.41	311.08	5.84	-114.57
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115651	1	41	-2.0	-118.68	376.50	8.96	-109.72
CCC(C)CC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115652	1	43	-2.0	-122.49	368.60	7.84	-114.65
C=CCCCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115653	1	41	-2.0	-121.10	367.48	7.99	-113.11
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115654	1	41	-2.0	-118.78	376.70	8.90	-109.88
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115655	1	36	-2.0	-128.75	324.59	9.27	-119.48
CC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012115656	1	41	-2.0	-130.87	356.17	8.65	-122.22
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115657	1	35	-2.0	-130.07	313.27	7.57	-122.50
CCCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115658	1	37	-2.0	-121.24	333.41	6.59	-114.65
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115659	1	37	-2.0	-122.27	324.01	6.15	-116.12
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115660	1	39	-2.0	-137.10	335.22	9.50	-127.60
CCN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(C)(C)C(=O)[O-]	REAL300012115661	1	40	-2.0	-126.53	337.67	8.85	-117.68
CCCN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(C)C(=O)[O-]	REAL300012115662	1	40	-2.0	-112.69	342.71	8.70	-103.99
CCC[C@@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115663	1	37	-2.0	-121.20	333.41	6.58	-114.62
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115664	1	43	-2.0	-121.57	369.79	9.40	-112.17
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=CC=C1	REAL300012115665	1	38	-2.0	-129.20	348.09	7.89	-121.31
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115666	1	43	-2.0	-120.70	388.20	7.84	-112.86
C=CCCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115667	1	38	-2.0	-121.04	346.22	7.15	-113.89
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115668	1	37	-2.0	-122.50	356.62	5.89	-116.61
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CC1=O	REAL300012115669	1	39	-2.0	-124.60	341.01	7.20	-117.40
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115670	1	38	-2.0	-129.16	329.60	8.38	-120.78
CC(C)[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115671	1	37	-2.0	-121.89	323.94	6.21	-115.68
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CC=CC=C1	REAL300012115672	1	38	-2.0	-128.85	347.43	7.92	-120.93
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115673	1	41	-2.0	-129.21	361.87	7.22	-121.99
CCC[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115674	1	37	-2.0	-121.24	333.41	6.58	-114.66
CCN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(C)C(=O)[O-]	REAL300012115675	1	37	-2.0	-112.54	321.22	7.86	-104.68
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCCC1	REAL300012115676	1	41	-2.0	-118.72	348.29	9.50	-109.22
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115677	1	40	-2.0	-123.21	342.43	6.83	-116.38
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CC(CO)C1	REAL300012115678	1	39	-2.0	-133.62	343.59	3.65	-129.97
CCN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012115679	1	47	-2.0	-128.84	395.77	12.03	-116.81
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115680	1	47	-2.0	-127.81	395.36	7.07	-120.74
CC1CCC(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300012115681	1	41	-2.0	-129.70	346.95	7.49	-122.21
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115682	1	44	-2.0	-131.88	355.78	8.12	-123.76
COCCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115683	1	38	-2.0	-118.94	345.59	4.89	-114.05
CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012115684	1	44	-2.0	-114.39	382.95	11.25	-103.14
CC1(C)CC(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300012115685	1	41	-2.0	-130.30	349.47	8.17	-122.13
CC1(C(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])CC1	REAL300012115686	1	38	-2.0	-124.62	340.70	6.90	-117.72
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115687	1	47	-2.0	-127.68	395.95	7.03	-120.65
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115688	1	36	-2.0	-137.16	324.55	4.34	-132.82
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCOC1	REAL300012115689	1	39	-2.0	-121.24	338.68	4.86	-116.38
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115690	1	39	-2.0	-133.51	334.89	8.98	-124.53
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1=CNC2=CC=CC=C21	REAL300012115691	1	42	-2.0	-134.99	379.59	7.97	-127.02
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(C3=CC=CC=C3)S1)C2	REAL300012115692	1	37	-2.0	-129.29	325.86	6.69	-122.60
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C1	REAL300012115693	1	41	-2.0	-137.02	345.43	9.83	-127.19
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115694	1	44	-2.0	-124.21	385.23	9.16	-115.05
CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1(C(=O)[O-])CC1	REAL300012115695	1	35	-2.0	-125.27	319.54	7.69	-117.58
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115696	1	45	-2.0	-124.40	384.74	8.96	-115.44
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCC1	REAL300012115697	1	38	-2.0	-123.96	338.68	6.87	-117.09
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCCCC1	REAL300012115698	1	44	-2.0	-124.05	367.74	8.24	-115.81
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCC1	REAL300012115699	1	38	-2.0	-123.96	338.68	6.87	-117.09
CC1CCN(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C1C(=O)[O-]	REAL300012115700	1	38	-2.0	-130.67	326.26	8.39	-122.28
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O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115707	1	41	-2.0	-121.39	376.46	8.96	-112.43
COC1CC(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300012115708	1	39	-2.0	-125.03	344.62	5.35	-119.68
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CC(F)(F)C1	REAL300012115709	1	35	-2.0	-121.89	321.63	6.50	-115.39
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CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300012115711	1	39	-2.0	-131.08	345.16	5.73	-125.35
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115712	1	41	-2.0	-131.42	342.88	9.60	-121.82
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O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)COC1	REAL300012115715	1	33	-2.0	-119.78	303.86	3.51	-116.27
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COCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012115717	1	45	-2.0	-132.30	389.08	7.85	-124.45
CC(C)C(C)(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115718	1	40	-2.0	-125.07	330.96	6.78	-118.29
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115719	1	36	-2.0	-135.25	319.82	9.02	-126.23
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O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115721	1	44	-2.0	-123.16	392.48	9.64	-113.52
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115722	1	44	-2.0	-123.30	393.31	9.60	-113.70
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CC2CCC1C2	REAL300012115723	1	45	-2.0	-126.91	373.70	8.68	-118.23
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115724	1	47	-2.0	-124.59	392.26	9.03	-115.56
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115725	1	47	-2.0	-124.56	392.25	9.03	-115.53
COC1=CC=C(CC(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300012115726	1	45	-2.0	-122.98	398.94	8.16	-114.82
C=CCSCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115727	1	39	-2.0	-121.74	369.65	7.69	-114.05
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COC1(C(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])CCC1	REAL300012115729	1	42	-2.0	-123.30	357.86	5.67	-117.63
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCC(C(F)F)CC1	REAL300012115730	1	44	-2.0	-124.47	373.83	8.82	-115.65
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCC2=CC=CC=C2C1	REAL300012115731	1	45	-2.0	-132.92	379.38	9.91	-123.01
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CC(C(F)F)C1	REAL300012115732	1	38	-2.0	-128.05	344.87	7.30	-120.75
O=C([O-])C1CC(NC(=O)NC2=NC=C(C3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300012115733	0	38	-2.0	-128.54	345.16	8.25	-120.29
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300012115733	1	37	-3.0	-206.74	342.26	7.04	-199.70
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300012115734	1	47	-2.0	-128.92	408.29	9.82	-119.10
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115735	1	35	-2.0	-124.01	318.97	7.93	-116.08
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115736	1	40	-2.0	-113.31	338.82	8.93	-104.38
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115737	1	37	-2.0	-125.85	328.35	8.67	-117.18
CC1(C)CCN(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C1C(=O)[O-]	REAL300012115738	1	41	-2.0	-133.29	346.48	8.61	-124.68
CCOC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300012115739	1	45	-2.0	-126.27	399.41	8.11	-118.16
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115740	1	45	-2.0	-138.91	368.75	10.85	-128.06
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCC2=CC=CC=C21	REAL300012115741	1	45	-2.0	-119.67	385.85	10.17	-109.50
CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115742	1	45	-2.0	-129.93	390.50	8.89	-121.04
CC(C)CCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115743	1	43	-2.0	-121.82	372.47	7.89	-113.93
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115744	1	42	-2.0	-129.83	360.74	9.35	-120.48
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115745	1	42	-2.0	-121.58	366.96	6.01	-115.57
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C1	REAL300012115746	1	39	-2.0	-125.96	355.80	9.01	-116.95
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115747	1	35	-2.0	-116.30	315.86	2.35	-113.95
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115748	1	32	-2.0	-124.12	301.52	1.66	-122.46
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCCC2CC21	REAL300012115749	1	42	-2.0	-130.23	349.75	8.36	-121.87
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCC2CC21	REAL300012115750	1	39	-2.0	-129.60	335.55	7.49	-122.11
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CC2(CCC2)C1	REAL300012115751	1	42	-2.0	-130.37	355.66	8.09	-122.28
CN(C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012115752	1	44	-2.0	-114.54	383.05	11.09	-103.45
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC=C(C3=CC=CC=C3)S1)CCCCC2	REAL300012115753	1	48	-2.0	-129.85	388.96	10.36	-119.49
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C1CCCC1	REAL300012115754	1	41	-2.0	-125.03	348.12	7.34	-117.69
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115755	1	38	-2.0	-123.88	341.91	5.06	-118.82
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115756	1	38	-2.0	-128.45	328.63	7.14	-121.31
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115757	1	41	-2.0	-121.21	370.93	10.93	-110.28
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C1	REAL300012115758	1	41	-2.0	-129.07	353.57	8.64	-120.43
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115759	1	38	-2.0	-127.13	335.84	9.43	-117.70
O=C([O-])C1N(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CCC1(F)F	REAL300012115760	1	35	-2.0	-126.50	324.19	7.97	-118.53
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115761	1	41	-2.0	-121.39	376.46	8.96	-112.43
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115762	1	38	-2.0	-120.96	361.17	7.78	-113.18
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115763	1	38	-2.0	-122.61	342.09	8.60	-114.01
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)CC2(CC(F)(F)C2)C1	REAL300012115764	1	42	-2.0	-128.49	374.85	8.53	-119.96
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115765	1	38	-2.0	-120.96	361.17	7.78	-113.18
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115766	1	42	-2.0	-135.02	350.80	9.22	-125.80
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COCCCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115768	1	41	-2.0	-121.94	366.84	5.72	-116.22
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300012115769	1	40	-2.0	-113.35	346.48	8.92	-104.43
CCOCC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115770	1	38	-2.0	-124.13	345.49	5.08	-119.05
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012115771	1	43	-2.0	-122.78	362.49	8.29	-114.49
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C[C@H]1OCCN(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)[C@@H]1C(=O)[O-]	REAL300012115774	1	39	-2.0	-132.07	335.67	7.42	-124.65
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CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3=CC=CC=C3)S2)C1	REAL300012115778	1	42	-2.0	-132.00	367.63	7.78	-124.22
O=C([O-])C1CC(NC(=O)NC2=CC=CC=C2C(F)(F)F)(C(=O)[O-])C1	REAL300012116184	0	35	-2.0	-113.75	313.27	7.05	-106.70
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CC(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012116718	0	37	-2.0	-138.45	323.79	6.42	-132.03
CC1=NN(C(C)C)C(C)=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012116987	0	44	-2.0	-120.45	370.33	6.36	-114.09
O=C([O-])C1CC(NC(=O)NC2=CC=C3OCCOC3=C2)(C(=O)[O-])C1	REAL300012117261	0	38	-2.0	-117.42	323.68	4.97	-112.45
O=C([O-])C1CC(NC(=O)NC2=CC=C(Cl)C=C2Cl)(C(=O)[O-])C1	REAL300012117556	0	32	-2.0	-109.48	310.16	6.94	-102.54
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3=CC=CC=C3)C=C2)(C(=O)[O-])C1	REAL300012117849	0	42	-2.0	-118.86	353.78	9.23	-109.63
O=C([O-])C1CC(NC(=O)NC2=CC=C(Br)C=C2Cl)(C(=O)[O-])C1	REAL300012118072	0	32	-2.0	-109.35	314.72	7.05	-102.30
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300012118327	0	44	-2.0	-122.18	373.26	5.04	-117.14
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300012118523	0	38	-2.0	-124.19	320.06	7.16	-117.03
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300012118796	0	36	-2.0	-112.04	325.63	5.60	-106.44
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(OC)=C1	REAL300012119062	0	40	-2.0	-122.02	338.35	4.44	-117.58
CC1=CC=C(Cl)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012119299	0	35	-2.0	-124.04	315.22	7.29	-116.75
CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300012119505	0	38	-2.0	-124.64	316.51	7.39	-117.25
COC1=CC(OC)=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300012119765	0	40	-2.0	-125.87	354.23	5.19	-120.68
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CCC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012120385	0	38	-2.0	-117.37	322.51	7.25	-110.12
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C)=C1	REAL300012120580	0	38	-2.0	-118.32	322.43	7.15	-111.17
O=C([O-])C1CC(NC(=O)NC2=CC=C(F)C(F)=C2)(C(=O)[O-])C1	REAL300012120792	0	32	-2.0	-122.74	293.70	6.04	-116.70
CS(=O)(=O)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012121077	0	38	-2.0	-124.71	340.29	3.33	-121.38
O=C([O-])C1CC(NC(=O)NC2=CC(F)=CC(F)=C2)(C(=O)[O-])C1	REAL300012121299	0	32	-2.0	-113.20	292.21	5.98	-107.22
O=C([O-])C1CC(NC(=O)NC2=CC=C([N+](=O)[O-])C=C2F)(C(=O)[O-])C1	REAL300012121564	0	34	-2.0	-106.80	312.65	6.58	-100.22
CC(=O)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012121804	0	37	-2.0	-122.35	320.11	6.21	-116.14
O=C([O-])C1CC(NC(=O)NC2=CC=CC([N+](=O)[O-])=C2)(C(=O)[O-])C1	REAL300012122038	0	34	-2.0	-132.52	309.20	6.60	-125.92
O=C([O-])C1CC(NC(=O)NC2=CC=C([N+](=O)[O-])C=C2)(C(=O)[O-])C1	REAL300012122272	0	34	-2.0	-112.36	307.81	6.48	-105.88
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300012122883	1	37	-2.0	-117.66	329.07	6.81	-110.85
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)CCCC(=O)[O-])=N1	REAL300012122884	1	36	-2.0	-104.06	329.02	6.26	-97.80
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)COCC(=O)[O-])=N1	REAL300012122885	1	34	-2.0	-107.54	321.14	5.41	-102.13
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300012122887	1	36	-2.0	-114.91	323.96	6.78	-108.13
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C(C(=O)[O-])C(C)C)=N1	REAL300012122888	1	39	-2.0	-119.16	343.24	6.66	-112.50
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300012122889	1	40	-2.0	-106.00	349.59	7.24	-98.76
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)CCCCC(=O)[O-])=N1	REAL300012122890	1	39	-2.0	-97.07	350.51	7.04	-90.03
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC(F)=CC=C2OC)=CS1	REAL300012122891	1	42	-2.0	-117.09	355.00	7.30	-109.79
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CC=CCC2)=N1	REAL300012122892	1	41	-2.0	-119.46	355.39	7.59	-111.87
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300012122893	1	38	-2.0	-120.34	339.36	7.17	-113.17
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C(C(=O)[O-])C(C)(C)C)=N1	REAL300012122894	1	42	-2.0	-116.49	351.71	7.17	-109.32
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C(C(=O)[O-])C2CC2)=N1	REAL300012122895	1	37	-2.0	-117.55	332.67	7.04	-110.51
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012122896	1	44	-2.0	-125.26	367.57	7.88	-117.38
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C2CCC(C(=O)[O-])CC2)=N1	REAL300012122897	1	43	-2.0	-96.57	369.33	7.89	-88.68
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C(C)(OC)C(=O)[O-])=N1	REAL300012122898	1	37	-2.0	-117.04	330.36	5.69	-111.35
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CC2(C)C)=N1	REAL300012122899	1	40	-2.0	-118.04	346.44	7.56	-110.48
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C(C(=O)[O-])C2CCCC2)=N1	REAL300012122900	1	43	-2.0	-122.84	368.90	7.91	-114.93
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CCCCCC2)=N1	REAL300012122901	1	46	-2.0	-117.43	365.89	8.69	-108.74
O=C([O-])C1CC(C(=O)[N-]C2=NC3=C(CCCC3)S2)=NN1C1=CC=CC=C1	REAL300012123087	1	42	-2.0	-112.66	364.45	7.67	-104.99
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC=CCC1	REAL300012123089	1	37	-2.0	-119.81	306.99	6.63	-113.18
O=C([O-])C1CC(C(=O)[N-]C2=NC(C3CC3)=CS2)=NN1C1=CC=CC=C1	REAL300012123378	1	39	-2.0	-105.34	349.48	6.74	-98.60
O=C([O-])C1(C(=O)[N-]C2=NC(C3CC3)=CS2)CC2CCC1C2	REAL300012123379	1	37	-2.0	-121.87	306.16	6.42	-115.45
O=C([O-])C1(C(=O)[N-]C2=NC(C3CC3)=CS2)CCCCCC1	REAL300012123382	1	39	-2.0	-113.87	304.58	7.22	-106.65
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300012123724	1	39	-2.0	-123.98	347.13	8.65	-115.33
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)COCC(=O)[O-])=N1	REAL300012123726	1	36	-2.0	-113.81	338.59	7.45	-106.36
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300012123728	1	38	-2.0	-122.47	337.50	8.68	-113.79
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300012123732	1	44	-2.0	-122.48	371.11	9.25	-113.23
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC=CCC2)=N1	REAL300012123733	1	43	-2.0	-125.45	372.80	9.60	-115.85
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300012123734	1	40	-2.0	-126.51	358.13	9.02	-117.49
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012123737	1	46	-2.0	-131.71	381.11	9.73	-121.98
COC(C)(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300012123739	1	39	-2.0	-123.40	343.90	7.58	-115.82
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2(C)C)=N1	REAL300012123740	1	42	-2.0	-123.16	363.89	9.54	-113.62
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CCCCCC2)=N1	REAL300012123742	1	48	-2.0	-123.16	383.17	10.69	-112.47
O=C([O-])C1CC(C(=O)[N-]C2=NC3=C(CCCCC3)S2)=NN1C1=CC=CC=C1	REAL300012124238	1	45	-2.0	-113.42	381.81	8.23	-105.19
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC=CCC1	REAL300012124242	1	40	-2.0	-121.55	324.91	7.09	-114.46
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC=CC1	REAL300012124243	1	37	-2.0	-122.10	309.69	6.63	-115.47
CC1(C)CC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300012124249	1	39	-2.0	-119.69	315.39	7.16	-112.53
CC1=CC=C(C2=C(C)SC([N-]C(=O)C3(C(=O)[O-])CCC3)=N2)S1	REAL300012124577	1	36	-2.0	-119.07	328.40	7.34	-111.73
CC1=CC=C(C2=C(C)SC([N-]C(=O)COCC(=O)[O-])=N2)S1	REAL300012124579	1	33	-2.0	-106.83	319.86	6.09	-100.74
CC1=CC=C(C2=C(C)SC([N-]C(=O)C(C)(C)C(=O)[O-])=N2)S1	REAL300012124581	1	35	-2.0	-114.43	322.80	7.41	-107.02
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=C(C)S2)=C(C)S1	REAL300012124585	1	41	-2.0	-118.03	353.73	7.99	-110.04
CC1=CC=C(C2=C(C)SC([N-]C(=O)C3(C(=O)[O-])CC=CCC3)=N2)S1	REAL300012124586	1	40	-2.0	-120.56	354.80	8.17	-112.39
CC1=CC=C(C2=C(C)SC([N-]C(=O)C3(C(=O)[O-])CC=CC3)=N2)S1	REAL300012124587	1	37	-2.0	-121.22	338.07	7.85	-113.37
CC1=CC=C(C2=C(C)SC([N-]C(=O)C3(C(=O)[O-])CC4CCC3C4)=N2)S1	REAL300012124590	1	43	-2.0	-125.68	366.20	8.59	-117.09
COC(C)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=C(C)S2)=C(C)S1	REAL300012124594	1	36	-2.0	-117.65	329.08	6.37	-111.28
CC1=CC=C(C2=C(C)SC([N-]C(=O)C3(C(=O)[O-])CC3(C)C)=N2)S1	REAL300012124595	1	39	-2.0	-120.90	348.30	8.09	-112.81
CC1=CC=C(C2=C(C)SC([N-]C(=O)C3(C(=O)[O-])CCCCCC3)=N2)S1	REAL300012124597	1	45	-2.0	-117.39	364.61	9.37	-108.02
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C2(C(=O)[O-])CCC2)S1	REAL300012125301	1	36	-2.0	-119.81	316.07	7.71	-112.10
CC1=CC=CC=C1C1=CN=C([N-]C(=O)COCC(=O)[O-])S1	REAL300012125303	1	33	-2.0	-111.86	307.56	6.50	-105.36
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C(C)(C)C(=O)[O-])S1	REAL300012125305	1	35	-2.0	-120.86	310.51	7.85	-113.01
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C(C(=O)[O-])C(C)C)S1	REAL300012125306	1	38	-2.0	-121.30	329.67	7.70	-113.60
CC1=CC=CC=C1C1=CN=C([N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300012125307	1	39	-2.0	-109.95	337.64	8.47	-101.48
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2C)S1	REAL300012125309	1	41	-2.0	-118.34	341.42	8.36	-109.98
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C2(C(=O)[O-])CC=CCC2)S1	REAL300012125310	1	40	-2.0	-121.50	341.78	8.63	-112.87
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C2(C(=O)[O-])CC=CC2)S1	REAL300012125311	1	37	-2.0	-122.22	325.74	8.21	-114.01
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C(C(=O)[O-])C(C)(C)C)S1	REAL300012125312	1	41	-2.0	-117.75	338.13	8.21	-109.54
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C(C(=O)[O-])C2CC2)S1	REAL300012125313	1	36	-2.0	-119.38	321.24	8.16	-111.22
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)S1	REAL300012125314	1	43	-2.0	-128.64	353.88	9.03	-119.61
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C2CCC(C(=O)[O-])CC2)S1	REAL300012125315	1	42	-2.0	-98.77	355.74	8.94	-89.83
COC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2C)S1	REAL300012125318	1	36	-2.0	-119.80	316.77	6.79	-113.01
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C2(C(=O)[O-])CC2(C)C)S1	REAL300012125319	1	39	-2.0	-118.74	332.86	8.59	-110.15
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C(C(=O)[O-])C2CCCC2)S1	REAL300012125320	1	42	-2.0	-122.65	350.36	9.02	-113.63
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C2(C(=O)[O-])CCCCCC2)S1	REAL300012125321	1	45	-2.0	-119.78	352.28	9.74	-110.04
O=C([O-])C1CC(C(=O)[N-]C2=NC3=CC=CC=C3S2)=NN1C1=CC=CC=C1	REAL300012125697	1	38	-2.0	-112.46	348.06	7.52	-104.94
O=C([O-])C1(C(=O)[N-]C2=NC3=CC=CC=C3S2)CC=CCC1	REAL300012125698	1	33	-2.0	-119.72	291.14	6.35	-113.37
O=C([O-])C1(C(=O)[N-]C2=NC3=CC=CC=C3S2)CC2CCC1C2	REAL300012125699	1	36	-2.0	-129.20	304.84	7.18	-122.02
O=C([O-])C1CCC(C(=O)[N-]C2=NC3=CC=CC=C3S2)CC1	REAL300012125700	1	35	-2.0	-100.02	306.59	7.20	-92.82
O=C([O-])C(C(=O)[N-]C1=NC2=CC=CC=C2S1)C1CCCC1	REAL300012125703	1	35	-2.0	-126.60	306.17	7.21	-119.39
O=C([O-])C1(C(=O)[N-]C2=NC3=CC=CC=C3S2)CCCCCC1	REAL300012125704	1	38	-2.0	-116.86	301.09	7.57	-109.29
CC1=CSC([N-]C(=O)C2=NN(C3=CC=CC=C3)C(C(=O)[O-])C2)=N1	REAL300012125795	1	35	-2.0	-103.94	320.43	5.26	-98.68
CC(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC(Br)=C2)=CS1	REAL300012125964	1	29	-2.0	-109.24	293.56	7.01	-102.23
O=C([O-])C1(C(=O)[N-]C2=NC(C3=CC=CC(Br)=C3)=CS2)CCC1	REAL300012125965	1	33	-2.0	-112.46	316.77	7.63	-104.83
O=C([O-])CCCC(=O)[N-]C1=NC(C2=CC=CC(Br)=C2)=CS1	REAL300012125966	1	32	-2.0	-99.01	316.72	7.07	-91.94
O=C([O-])COCC(=O)[N-]C1=NC(C2=CC=CC(Br)=C2)=CS1	REAL300012125967	1	30	-2.0	-102.41	308.85	6.23	-96.18
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC(Br)=C2)=CS1	REAL300012125968	1	32	-2.0	-109.40	311.67	7.60	-101.80
CC(C)C(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC(Br)=C2)=CS1	REAL300012125969	1	35	-2.0	-113.98	330.95	7.48	-106.50
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3=CC=CC(Br)=C3)=CS2)C1	REAL300012125970	1	36	-2.0	-100.86	337.29	8.06	-92.80
O=C([O-])CCCCC(=O)[N-]C1=NC(C2=CC=CC(Br)=C2)=CS1	REAL300012125971	1	35	-2.0	-92.20	338.22	7.86	-84.34
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC(Br)=C2)=CS1	REAL300012125972	1	38	-2.0	-113.23	341.58	7.85	-105.38
O=C([O-])C1(C(=O)[N-]C2=NC(C3=CC=CC(Br)=C3)=CS2)CC=CC1	REAL300012125973	1	34	-2.0	-115.02	327.06	7.99	-107.03
CC(C)(C)C(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC(Br)=C2)=CS1	REAL300012125974	1	38	-2.0	-111.25	339.38	7.99	-103.26
O=C([O-])C(C(=O)[N-]C1=NC(C2=CC=CC(Br)=C2)=CS1)C1CC1	REAL300012125975	1	33	-2.0	-112.27	320.38	7.86	-104.41
COC(C)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC(Br)=C2)=CS1	REAL300012125976	1	33	-2.0	-111.71	318.07	6.51	-105.20
CC1(C)CC1(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC(Br)=C2)=CS1	REAL300012125977	1	36	-2.0	-114.64	337.30	8.22	-106.42
COC1=CC=C(C2=C(C)SC([N-]C(=O)C3(C(=O)[O-])CCC3)=N2)C=C1	REAL300012125981	1	40	-2.0	-120.53	343.71	6.69	-113.84
COC1=CC=C(C2=C(C)SC([N-]C(=O)COCC(=O)[O-])=N2)C=C1	REAL300012125983	1	37	-2.0	-107.75	335.17	5.44	-102.31
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=C(OC)C=C2)=C(C)S1	REAL300012125989	1	45	-2.0	-119.95	367.94	7.06	-112.89
COC1=CC=C(C2=C(C)SC([N-]C(=O)C3(C(=O)[O-])CC=CCC3)=N2)C=C1	REAL300012125990	1	44	-2.0	-121.28	370.87	7.65	-113.63
COC1=CC=C(C2=C(C)SC([N-]C(=O)C3(C(=O)[O-])CC=CC3)=N2)C=C1	REAL300012125991	1	41	-2.0	-120.85	354.89	7.23	-113.62
COC1=CC=C(C2=C(C)SC([N-]C(=O)C3(C(=O)[O-])CC4CCC3C4)=N2)C=C1	REAL300012125994	1	47	-2.0	-127.16	383.01	7.95	-119.21
COC1=CC=C(C2=C(C)SC([N-]C(=O)C(C)(OC)C(=O)[O-])=N2)C=C1	REAL300012125998	1	40	-2.0	-118.98	344.41	5.72	-113.26
COC1=CC=C(C2=C(C)SC([N-]C(=O)C3(C(=O)[O-])CC3(C)C)=N2)C=C1	REAL300012125999	1	43	-2.0	-122.20	363.62	7.44	-114.76
COC1=CC=C(C2=C(C)SC([N-]C(=O)C3(C(=O)[O-])CCCCCC3)=N2)C=C1	REAL300012126001	1	49	-2.0	-118.09	379.92	8.72	-109.37
CCC1=CC=C(C2=CSC([N-]C(=O)C(C)C(=O)[O-])=N2)C=C1	REAL300012126028	1	35	-2.0	-112.21	313.59	7.86	-104.35
CCC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CCC3)=N2)C=C1	REAL300012126029	1	39	-2.0	-117.90	338.97	8.29	-109.61
CCC1=CC=C(C2=CSC([N-]C(=O)CCCC(=O)[O-])=N2)C=C1	REAL300012126030	1	38	-2.0	-102.40	338.31	7.89	-94.51
CCC1=CC=C(C2=CSC([N-]C(=O)COCC(=O)[O-])=N2)C=C1	REAL300012126031	1	36	-2.0	-105.75	330.44	7.05	-98.70
CCC1=CC=C(C2=CSC([N-]C(=O)C(C)(C)C(=O)[O-])=N2)C=C1	REAL300012126033	1	38	-2.0	-113.23	333.38	8.38	-104.85
CCC1=CC=C(C2=CSC([N-]C(=O)C(C(=O)[O-])C(C)C)=N2)C=C1	REAL300012126034	1	41	-2.0	-118.79	352.54	8.30	-110.49
CCC1=CC=C(C2=CSC([N-]C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300012126035	1	42	-2.0	-104.27	358.91	8.88	-95.39
CCC1=CC=C(C2=CSC([N-]C(=O)CCCCC(=O)[O-])=N2)C=C1	REAL300012126036	1	41	-2.0	-95.68	359.81	8.67	-87.01
CCC1=CC=C(C2=CSC([N-]C(=O)C(CC)(CC)C(=O)[O-])=N2)C=C1	REAL300012126037	1	44	-2.0	-120.29	367.37	8.59	-111.70
CCC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CC=CCC3)=N2)C=C1	REAL300012126038	1	43	-2.0	-119.04	364.69	9.23	-109.81
CCC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CC=CC3)=N2)C=C1	REAL300012126039	1	40	-2.0	-119.89	350.01	8.65	-111.24
CCC1=CC=C(C2=CSC([N-]C(=O)C(C(=O)[O-])C(C)(C)C)=N2)C=C1	REAL300012126040	1	44	-2.0	-116.19	360.98	8.80	-107.39
CCC1=CC=C(C2=CSC([N-]C(=O)C(C(=O)[O-])C3CC3)=N2)C=C1	REAL300012126041	1	39	-2.0	-117.34	344.12	8.75	-108.59
CCC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CC4CCC3C4)=N2)C=C1	REAL300012126042	1	46	-2.0	-125.03	376.88	9.53	-115.50
CCC1=CC=C(C2=CSC([N-]C(=O)C3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300012126043	1	45	-2.0	-95.52	378.62	9.53	-85.99
CCC1=CC=C(C2=CSC([N-]C(=O)C(C)(OC)C(=O)[O-])=N2)C=C1	REAL300012126046	1	39	-2.0	-116.35	339.66	7.32	-109.03
CCC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CC3(C)C)=N2)C=C1	REAL300012126047	1	42	-2.0	-118.32	355.73	9.19	-109.13
CCC1=CC=C(C2=CSC([N-]C(=O)C(C(=O)[O-])C3CCCC3)=N2)C=C1	REAL300012126048	1	45	-2.0	-122.48	378.19	9.55	-112.93
CCC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CCCCCC3)=N2)C=C1	REAL300012126049	1	48	-2.0	-116.60	375.19	10.33	-106.27
O=C([O-])C1CC(C(=O)[N-]C2=NC(C3=CC=CC=N3)=CS2)=NN1C1=CC=CC=C1	REAL300012126093	1	41	-2.0	-107.74	374.47	6.80	-100.94
O=C([O-])C1(C(=O)[N-]C2=NC(C3=CC=CC=N3)=CS2)CCC1	REAL300012126094	1	32	-2.0	-117.12	292.74	5.38	-111.74
CC(C)C(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC=N2)=CS1	REAL300012126096	1	34	-2.0	-118.35	306.93	5.23	-113.12
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3=CC=CC=N3)=CS2)C1	REAL300012126097	1	35	-2.0	-105.42	313.31	5.80	-99.62
O=C([O-])CCCCC(=O)[N-]C1=NC(C2=CC=CC=N2)=CS1	REAL300012126098	1	34	-2.0	-96.62	314.19	5.61	-91.01
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC=N2)=CS1	REAL300012126099	1	37	-2.0	-116.63	318.68	5.88	-110.75
O=C([O-])C1(C(=O)[N-]C2=NC(C3=CC=CC=N3)=CS2)CC=CCC1	REAL300012126100	1	36	-2.0	-118.87	319.07	6.16	-112.71
O=C([O-])C1(C(=O)[N-]C2=NC(C3=CC=CC=N3)=CS2)CC=CC1	REAL300012126101	1	33	-2.0	-119.73	303.04	5.74	-113.99
CC(C)(C)C(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC=N2)=CS1	REAL300012126102	1	37	-2.0	-116.83	317.09	5.59	-111.24
O=C([O-])C(C(=O)[N-]C1=NC(C2=CC=CC=N2)=CS1)C1CC1	REAL300012126103	1	32	-2.0	-116.80	296.35	5.61	-111.19
O=C([O-])C1(C(=O)[N-]C2=NC(C3=CC=CC=N3)=CS2)CC2CCC1C2	REAL300012126104	1	39	-2.0	-124.57	331.25	6.45	-118.12
O=C([O-])C1CCC(C(=O)[N-]C2=NC(C3=CC=CC=N3)=CS2)CC1	REAL300012126105	1	38	-2.0	-96.35	333.01	6.46	-89.89
COC(C)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC=N2)=CS1	REAL300012126108	1	32	-2.0	-116.14	294.04	4.26	-111.88
CC1(C)CC1(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC=N2)=CS1	REAL300012126109	1	35	-2.0	-117.63	310.12	6.12	-111.51
O=C([O-])C(C(=O)[N-]C1=NC(C2=CC=CC=N2)=CS1)C1CCCC1	REAL300012126110	1	38	-2.0	-121.95	332.58	6.49	-115.46
O=C([O-])C1(C(=O)[N-]C2=NC(C3=CC=CC=N3)=CS2)CCCCCC1	REAL300012126111	1	41	-2.0	-117.05	329.57	7.26	-109.79
CC1=C(C2=CC=C(C)C=C2)N=C([N-]C(=O)C2(C(=O)[O-])CCC2)S1	REAL300012126154	1	39	-2.0	-120.62	336.54	8.26	-112.36
CC1=C(C2=CC=C(C)C=C2)N=C([N-]C(=O)COCC(=O)[O-])S1	REAL300012126156	1	36	-2.0	-108.42	327.11	6.82	-101.60
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=C(C)C=C2)=C(C)S1	REAL300012126162	1	44	-2.0	-120.90	359.88	8.43	-112.47
CC1=C(C2=CC=C(C)C=C2)N=C([N-]C(=O)C2(C(=O)[O-])CC=CCC2)S1	REAL300012126163	1	43	-2.0	-121.71	361.37	9.00	-112.71
CC1=C(C2=CC=C(C)C=C2)N=C([N-]C(=O)C2(C(=O)[O-])CC=CC2)S1	REAL300012126164	1	40	-2.0	-122.53	346.83	8.62	-113.91
CC1=C(C2=CC=C(C)C=C2)N=C([N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)S1	REAL300012126167	1	46	-2.0	-128.05	374.99	9.34	-118.71
COC(C)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=C(C)C=C2)=C(C)S1	REAL300012126171	1	39	-2.0	-119.85	336.36	7.10	-112.75
CC1=C(C2=CC=C(C)C=C2)N=C([N-]C(=O)C2(C(=O)[O-])CC2(C)C)S1	REAL300012126172	1	42	-2.0	-122.34	357.06	8.86	-113.48
CC1=C(C2=CC=C(C)C=C2)N=C([N-]C(=O)C2(C(=O)[O-])CCCCCC2)S1	REAL300012126174	1	48	-2.0	-119.05	371.86	10.10	-108.95
CSC1=CC=C(C2=CSC([N-]C(=O)C(C)C(=O)[O-])=N2)C=C1	REAL300012126428	1	33	-2.0	-111.25	310.85	7.44	-103.81
CSC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CCC3)=N2)C=C1	REAL300012126429	1	37	-2.0	-116.70	335.62	8.03	-108.67
CSC1=CC=C(C2=CSC([N-]C(=O)CCCC(=O)[O-])=N2)C=C1	REAL300012126430	1	36	-2.0	-101.50	335.57	7.47	-94.03
CSC1=CC=C(C2=CSC([N-]C(=O)COCC(=O)[O-])=N2)C=C1	REAL300012126431	1	34	-2.0	-104.92	327.70	6.63	-98.29
CSC1=CC=C(C2=CSC([N-]C(=O)C(C)(C)C(=O)[O-])=N2)C=C1	REAL300012126433	1	36	-2.0	-112.01	330.52	8.00	-104.01
CSC1=CC=C(C2=CSC([N-]C(=O)C(C(=O)[O-])C(C)C)=N2)C=C1	REAL300012126434	1	39	-2.0	-117.85	349.81	7.88	-109.97
CSC1=CC=C(C2=CSC([N-]C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300012126435	1	40	-2.0	-103.31	356.17	8.46	-94.85
CSC1=CC=C(C2=CSC([N-]C(=O)CCCCC(=O)[O-])=N2)C=C1	REAL300012126436	1	39	-2.0	-95.06	357.07	8.25	-86.81
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=C(SC)C=C2)=CS1	REAL300012126437	1	42	-2.0	-119.17	364.62	8.17	-111.00
CSC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CC=CCC3)=N2)C=C1	REAL300012126438	1	41	-2.0	-118.41	362.50	8.71	-109.70
CSC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CC=CC3)=N2)C=C1	REAL300012126439	1	38	-2.0	-119.11	347.27	8.23	-110.88
CSC1=CC=C(C2=CSC([N-]C(=O)C(C(=O)[O-])C(C)(C)C)=N2)C=C1	REAL300012126440	1	42	-2.0	-115.24	358.23	8.38	-106.86
CSC1=CC=C(C2=CSC([N-]C(=O)C(C(=O)[O-])C3CC3)=N2)C=C1	REAL300012126441	1	37	-2.0	-118.50	343.82	8.07	-110.43
CSC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CC4CCC3C4)=N2)C=C1	REAL300012126442	1	44	-2.0	-124.05	374.14	9.11	-114.94
CSC1=CC=C(C2=CSC([N-]C(=O)C3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300012126443	1	43	-2.0	-94.88	375.88	9.11	-85.77
COC(C)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=C(SC)C=C2)=CS1	REAL300012126444	1	37	-2.0	-115.42	336.92	6.90	-108.52
CSC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CC3(C)C)=N2)C=C1	REAL300012126445	1	40	-2.0	-117.36	352.99	8.77	-108.59
CSC1=CC=C(C2=CSC([N-]C(=O)C(C(=O)[O-])C3CCCC3)=N2)C=C1	REAL300012126446	1	43	-2.0	-118.94	370.49	9.19	-109.75
CSC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CCCCCC3)=N2)C=C1	REAL300012126447	1	46	-2.0	-115.58	372.45	9.91	-105.67
CCCC1=NN=C([N-]C(=O)C2=NN(C3=CC=CC=C3)C(C(=O)[O-])C2)S1	REAL300012126451	0	40	-2.0	-108.58	361.11	6.30	-102.28
CCCC1=NN=C([N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)S1	REAL300012126452	0	38	-2.0	-125.58	317.23	5.90	-119.68
CCCC1=NN=C([N-]C(=O)C2(C(=O)[O-])CCCCCC2)S1	REAL300012126455	0	40	-2.0	-118.04	315.71	6.64	-111.40
COC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CCC3)=N2)C=C1Cl	REAL300012126661	1	37	-2.0	-117.70	340.94	6.85	-110.85
COC1=CC=C(C2=CSC([N-]C(=O)CCCC(=O)[O-])=N2)C=C1Cl	REAL300012126662	1	36	-2.0	-102.33	340.89	6.30	-96.03
COC1=CC=C(C2=CSC([N-]C(=O)COCC(=O)[O-])=N2)C=C1Cl	REAL300012126663	1	34	-2.0	-105.74	333.02	5.45	-100.29
COC1=CC=C(C2=CSC([N-]C(=O)C(C)(C)C(=O)[O-])=N2)C=C1Cl	REAL300012126665	1	36	-2.0	-112.61	335.83	6.82	-105.79
COC1=CC=C(C2=CSC([N-]C(=O)C(C(=O)[O-])C(C)C)=N2)C=C1Cl	REAL300012126666	1	39	-2.0	-119.09	355.12	6.71	-112.38
COC1=CC=C(C2=CSC([N-]C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)C=C1Cl	REAL300012126667	1	40	-2.0	-101.36	361.46	7.30	-94.06
COC1=CC=C(C2=CSC([N-]C(=O)CCCCC(=O)[O-])=N2)C=C1Cl	REAL300012126668	1	39	-2.0	-95.99	362.39	7.08	-88.91
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=C(OC)C(Cl)=C2)=CS1	REAL300012126669	1	42	-2.0	-116.91	366.88	7.35	-109.56
COC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CC=CCC3)=N2)C=C1Cl	REAL300012126670	1	41	-2.0	-118.97	367.27	7.64	-111.33
COC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CC=CC3)=N2)C=C1Cl	REAL300012126671	1	38	-2.0	-120.20	351.23	7.21	-112.99
COC1=CC=C(C2=CSC([N-]C(=O)C(C(=O)[O-])C(C)(C)C)=N2)C=C1Cl	REAL300012126672	1	42	-2.0	-117.45	365.29	7.06	-110.39
COC1=CC=C(C2=CSC([N-]C(=O)C(C(=O)[O-])C3CC3)=N2)C=C1Cl	REAL300012126673	1	37	-2.0	-117.33	344.54	7.09	-110.24
COC1=CC=C(C2=CSC([N-]C(=O)C3CCC(C(=O)[O-])CC3)=N2)C=C1Cl	REAL300012126674	1	43	-2.0	-95.90	381.21	7.93	-87.97
COC1=CC=C(C2=CSC([N-]C(=O)C(C)(OC)C(=O)[O-])=N2)C=C1Cl	REAL300012126675	1	37	-2.0	-116.65	342.23	5.73	-110.92
COC1=CC=C(C2=CSC([N-]C(=O)C3(C(=O)[O-])CC3(C)C)=N2)C=C1Cl	REAL300012126676	1	40	-2.0	-118.56	358.31	7.60	-110.96
COC1=CC=C(C2=CSC([N-]C(=O)C(C(=O)[O-])C3CCCC3)=N2)C=C1Cl	REAL300012126677	1	43	-2.0	-120.06	375.81	8.01	-112.05
CC1=C(C2=CC=C(OC(F)F)C=C2)N=C([N-]C(=O)C2(C(=O)[O-])CCC2)S1	REAL300012126733	1	40	-2.0	-119.74	353.46	6.97	-112.77
CC1=C(C2=CC=C(OC(F)F)C=C2)N=C([N-]C(=O)COCC(=O)[O-])S1	REAL300012126735	1	37	-2.0	-107.94	344.93	5.71	-102.23
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=C(OC(F)F)C=C2)=C(C)S1	REAL300012126740	1	45	-2.0	-119.72	377.69	7.32	-112.40
CC1=C(C2=CC=C(OC(F)F)C=C2)N=C([N-]C(=O)C2(C(=O)[O-])CC=CC2)S1	REAL300012126741	1	41	-2.0	-121.57	364.60	7.51	-114.06
COC(C)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=C(OC(F)F)C=C2)=C(C)S1	REAL300012126744	1	40	-2.0	-118.31	354.17	5.99	-112.32
CC1=C(C2=CC=C(OC(F)F)C=C2)N=C([N-]C(=O)C2(C(=O)[O-])CC2(C)C)S1	REAL300012126745	1	43	-2.0	-121.40	373.37	7.71	-113.69
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C(C)C(=O)[O-])=N1	REAL300012126748	1	36	-2.0	-118.46	320.85	6.78	-111.68
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300012126749	1	40	-2.0	-123.03	344.68	7.25	-115.78
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)CCCC(=O)[O-])=N1	REAL300012126750	1	39	-2.0	-107.52	344.01	6.85	-100.67
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)COCC(=O)[O-])=N1	REAL300012126751	1	37	-2.0	-110.98	336.14	6.01	-104.97
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300012126753	1	39	-2.0	-118.84	339.08	7.34	-111.50
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C(C(=O)[O-])C(C)C)=N1	REAL300012126754	1	42	-2.0	-123.98	358.25	7.26	-116.72
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300012126755	1	43	-2.0	-109.38	364.59	7.84	-101.54
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)CCCCC(=O)[O-])=N1	REAL300012126756	1	42	-2.0	-100.48	365.51	7.63	-92.85
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC(C)=CC=C2OC)=CS1	REAL300012126757	1	45	-2.0	-123.36	368.89	7.63	-115.73
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CC=CCC2)=N1	REAL300012126758	1	44	-2.0	-124.64	370.94	8.08	-116.56
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300012126759	1	41	-2.0	-125.19	354.36	7.76	-117.43
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C(C(=O)[O-])C(C)(C)C)=N1	REAL300012126760	1	45	-2.0	-121.28	366.69	7.76	-113.52
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C(C(=O)[O-])C2CC2)=N1	REAL300012126761	1	40	-2.0	-125.08	353.22	7.47	-117.61
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012126762	1	47	-2.0	-130.09	382.57	8.48	-121.61
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C2CCC(C(=O)[O-])CC2)=N1	REAL300012126763	1	46	-2.0	-100.16	384.33	8.49	-91.67
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C(C)(OC)C(=O)[O-])=N1	REAL300012126766	1	40	-2.0	-121.66	345.36	6.28	-115.38
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CC2(C)C)=N1	REAL300012126767	1	43	-2.0	-123.17	361.43	8.15	-115.02
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C(C(=O)[O-])C2CCCC2)=N1	REAL300012126768	1	46	-2.0	-125.33	378.93	8.57	-116.76
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CCCCCC2)=N1	REAL300012126769	1	49	-2.0	-121.75	380.89	9.29	-112.46
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=C(C(F)(F)F)C=C3)S2)CCC1	REAL300012127156	1	39	-2.0	-115.34	361.01	9.29	-106.05
O=C([O-])COCC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300012127158	1	36	-2.0	-109.15	353.08	7.93	-101.22
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300012127159	1	38	-2.0	-117.53	356.03	9.28	-108.25
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC=C(C(F)(F)F)C=C3)S2)CC=CC1	REAL300012127163	1	40	-2.0	-118.78	371.30	9.65	-109.13
COC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300012127165	1	39	-2.0	-116.57	362.30	8.21	-108.36
CC1(C)CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300012127166	1	42	-2.0	-114.97	378.38	10.03	-104.94
COC1=CC=CC=C1C1=CSC([N-]C(=O)C(C)C(=O)[O-])=N1	REAL300012127328	1	33	-2.0	-118.42	299.46	6.12	-112.30
COC1=CC=CC=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300012127329	1	37	-2.0	-123.10	323.28	6.59	-116.51
COC1=CC=CC=C1C1=CSC([N-]C(=O)CCCC(=O)[O-])=N1	REAL300012127330	1	36	-2.0	-107.49	322.62	6.19	-101.30
COC1=CC=CC=C1C1=CSC([N-]C(=O)COCC(=O)[O-])=N1	REAL300012127331	1	34	-2.0	-110.91	314.74	5.34	-105.57
COC1=CC=CC=C1C1=CSC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300012127333	1	36	-2.0	-118.53	317.56	6.71	-111.82
COC1=CC=CC=C1C1=CSC([N-]C(=O)C(C(=O)[O-])C(C)C)=N1	REAL300012127334	1	39	-2.0	-123.99	336.84	6.59	-117.40
COC1=CC=CC=C1C1=CSC([N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300012127335	1	40	-2.0	-109.38	343.19	7.17	-102.21
COC1=CC=CC=C1C1=CSC([N-]C(=O)CCCCC(=O)[O-])=N1	REAL300012127336	1	39	-2.0	-100.52	344.11	6.97	-93.55
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC=C2OC)=CS1	REAL300012127337	1	42	-2.0	-121.95	348.60	7.24	-114.71
COC1=CC=CC=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CC=CCC2)=N1	REAL300012127338	1	41	-2.0	-124.61	349.55	7.42	-117.19
COC1=CC=CC=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300012127339	1	38	-2.0	-125.20	334.32	6.95	-118.25
COC1=CC=CC=C1C1=CSC([N-]C(=O)C(C(=O)[O-])C(C)(C)C)=N1	REAL300012127340	1	42	-2.0	-121.33	345.28	7.10	-114.23
COC1=CC=CC=C1C1=CSC([N-]C(=O)C(C(=O)[O-])C2CC2)=N1	REAL300012127341	1	37	-2.0	-122.40	326.27	6.97	-115.43
COC1=CC=CC=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012127342	1	44	-2.0	-130.19	361.17	7.81	-122.38
COC1=CC=CC=C1C1=CSC([N-]C(=O)C2CCC(C(=O)[O-])CC2)=N1	REAL300012127343	1	43	-2.0	-100.13	362.93	7.82	-92.31
COC1=CC=CC=C1C1=CSC([N-]C(=O)C(C)(OC)C(=O)[O-])=N1	REAL300012127346	1	37	-2.0	-121.66	323.97	5.62	-116.04
COC1=CC=CC=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CC2(C)C)=N1	REAL300012127347	1	40	-2.0	-123.13	340.05	7.48	-115.65
COC1=CC=CC=C1C1=CSC([N-]C(=O)C(C(=O)[O-])C2CCCC2)=N1	REAL300012127348	1	43	-2.0	-125.29	357.54	7.90	-117.39
COC1=CC=CC=C1C1=CSC([N-]C(=O)C2(C(=O)[O-])CCCCCC2)=N1	REAL300012127349	1	46	-2.0	-121.77	359.50	8.62	-113.15
O=C([O-])C1=C(NC(=O)C2=CC(C(=O)[O-])=CC=C2)SC2=C1CCOC2	REAL300012127425	0	35	-2.0	-99.98	314.03	7.04	-92.94
O=C([O-])C1=C(NC(=O)C2=CC=C(C(=O)[O-])C=C2)SC2=C1CCOC2	REAL300012127427	0	35	-2.0	-98.24	314.03	7.04	-91.20
O=C([O-])C1=C(NC(=O)CN2[N-]C=C3C2=NC=NC3=O)SC2=C1CCOC2	REAL300012127458	0	37	-2.0	-94.31	335.30	3.35	-90.96
CC(=O)[N-]C1=NC(C(=O)NC2=C(C(=O)[O-])C3=C(COCC3)S2)=CS1	REAL300012128425	1	35	-2.0	-101.95	326.17	2.44	-99.51
O=C([O-])CCCC(=O)NC1=C(C(=O)[O-])C2=C(COCC2)S1	REAL300012128604	0	34	-2.0	-100.53	300.86	5.63	-94.90
O=C([O-])COCC(=O)NC1=C(C(=O)[O-])C2=C(COCC2)S1	REAL300012128605	0	32	-2.0	-102.34	292.99	4.79	-97.55
O=C([O-])C1=C(NC(=O)C2=CC=C(C(=O)[O-])C=N2)SC2=C1CCOC2	REAL300012128606	0	34	-2.0	-100.22	311.44	5.31	-94.91
O=C([O-])C1=C(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)SC2=C1CCOC2	REAL300012128627	0	38	-2.0	-101.25	321.31	6.56	-94.69
O=C([O-])CCCCC(=O)NC1=C(C(=O)[O-])C2=C(COCC2)S1	REAL300012128636	0	37	-2.0	-98.61	322.36	6.41	-92.20
O=C([O-])C1=C(NC(=O)C2CCC(C(=O)[O-])CC2)SC2=C1CCOC2	REAL300012128701	0	41	-2.0	-109.44	333.67	7.11	-102.33
O=C([O-])COC1=CC=C(C(=O)NC2=C(C(=O)[O-])C3=C(COCC3)S2)C=C1	REAL300012128714	0	39	-2.0	-97.48	345.05	7.33	-90.15
O=C([O-])COC1=CC=CC(C(=O)NC2=C(C(=O)[O-])C3=C(COCC3)S2)=C1	REAL300012128730	0	39	-2.0	-98.48	345.11	7.32	-91.16
O=C([O-])CN1C=NC(NC(=O)C2=NN(C3=CC=CC=C3)C(C(=O)[O-])C2)=N1	REAL300012128857	0	38	-2.0	-105.90	345.20	9.83	-96.07
O=C([O-])CN1C=NC(NC(=O)CN2[N-]C=C3C2=NC=NC3=O)=N1	REAL300012128915	0	31	-2.0	-101.79	298.15	5.47	-96.32
CC(C)(C)C(=O)[N-]C1=NC(CC(=O)NC2=NN(CC(=O)[O-])C=N2)=CS1	REAL300012129348	1	41	-2.0	-107.04	370.36	7.33	-99.71
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN(CC(=O)[O-])C=N2)O1	REAL300012129473	1	40	-2.0	-98.01	363.52	4.81	-93.20
CC1=C(CCC(=O)NC2=NN(CC(=O)[O-])C=N2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300012129684	1	47	-2.0	-104.17	395.48	8.53	-95.64
CC(=O)[N-]C1=NC(C(=O)NC2=NN(CC(=O)[O-])C=N2)=CS1	REAL300012130572	1	29	-2.0	-95.19	289.05	4.57	-90.62
O=C([O-])CN1C=NC(NC(=O)C2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012131082	0	36	-2.0	-109.98	302.14	9.39	-100.59
O=C([O-])COC1=CC=C(C(=O)NC2=NN(CC(=O)[O-])C=N2)C=C1	REAL300012131099	0	33	-2.0	-100.47	307.90	9.46	-91.01
O=C([O-])COC1=CC=CC(C(=O)NC2=NN(CC(=O)[O-])C=N2)=C1	REAL300012131112	0	33	-2.0	-106.25	308.00	9.44	-96.81
O=C([O-])CN1C=NC(NC(=O)C2(C(=O)[O-])CCCCCC2)=N1	REAL300012131140	0	38	-2.0	-107.27	298.70	9.93	-97.34
O=C([O-])CCN(C(=O)C1=CC=CC(C(=O)[O-])=C1)C1CCOCC1	REAL300012131284	0	40	-2.0	-110.97	317.59	7.08	-103.89
O=C([O-])CCN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C1CCOCC1	REAL300012131286	0	40	-2.0	-99.29	318.03	7.10	-92.19
O=C([O-])CCN(C(=O)C1=NN(C2=CC=CC=C2)C(C(=O)[O-])C1)C1CCOCC1	REAL300012131287	0	49	-2.0	-107.48	388.45	8.88	-98.60
O=C([O-])CCN(C(=O)CN1[N-]C=C2C1=NC=NC2=O)C1CCOCC1	REAL300012131334	0	42	-2.0	-104.71	348.47	3.96	-100.75
CC(C)(C)C(=O)[N-]C1=NC(CC(=O)N(CCC(=O)[O-])C2CCOCC2)=CS1	REAL300012131702	1	52	-2.0	-111.74	420.84	5.83	-105.91
CC(=O)[N-]C1=NC(C(=O)N(CCC(=O)[O-])C2CCOCC2)=CS1	REAL300012132627	1	40	-2.0	-104.05	336.41	4.19	-99.86
O=C([O-])CCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C1CCOCC1	REAL300012132860	0	39	-2.0	-104.41	321.26	7.15	-97.26
O=C([O-])CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCOCC1	REAL300012132884	0	43	-2.0	-113.64	334.92	7.16	-106.48
O=C([O-])CCCCC(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300012132898	0	42	-2.0	-101.53	336.09	7.06	-94.47
O=C([O-])CCN(C(=O)C1CCC(C(=O)[O-])CC1)C1CCOCC1	REAL300012132975	0	46	-2.0	-99.63	350.36	7.65	-91.98
O=C([O-])CCN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1CCOCC1	REAL300012132991	0	44	-2.0	-97.14	348.59	7.38	-89.76
O=C([O-])CCN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1CCOCC1	REAL300012133006	0	44	-2.0	-95.34	356.19	7.78	-87.56
COC1=C2SC([N-]C(=O)C3=NN(C4=CC=CC=C4)C(C(=O)[O-])C3)=NC2=CC=C1	REAL300012133235	1	42	-2.0	-114.34	377.54	6.80	-107.54
COC1=C2SC([N-]C(=O)C3(C(=O)[O-])CCC3)=NC2=CC=C1	REAL300012133236	1	33	-2.0	-123.78	296.43	5.24	-118.54
COC1=C2SC([N-]C(=O)C(C(=O)[O-])C(C)C)=NC2=CC=C1	REAL300012133238	1	35	-2.0	-122.34	304.25	5.02	-117.32
COC1=C2SC([N-]C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=NC2=CC=C1	REAL300012133239	1	36	-2.0	-112.90	316.37	5.82	-107.08
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NC2=CC=CC(OC)=C2S1	REAL300012133241	1	38	-2.0	-126.71	324.83	5.54	-121.17
COC1=C2SC([N-]C(=O)C3(C(=O)[O-])CC=CCC3)=NC2=CC=C1	REAL300012133242	1	37	-2.0	-125.18	322.15	6.17	-119.01
COC1=C2SC([N-]C(=O)C3(C(=O)[O-])CC=CC3)=NC2=CC=C1	REAL300012133243	1	34	-2.0	-126.12	307.48	5.60	-120.52
COC1=C2SC([N-]C(=O)C(C(=O)[O-])C(C)(C)C)=NC2=CC=C1	REAL300012133244	1	38	-2.0	-121.58	318.45	5.75	-115.83
COC1=C2SC([N-]C(=O)C(C(=O)[O-])C3CC3)=NC2=CC=C1	REAL300012133245	1	33	-2.0	-123.36	299.44	5.62	-117.74
COC1=C2SC([N-]C(=O)C3(C(=O)[O-])CC4CCC3C4)=NC2=CC=C1	REAL300012133246	1	40	-2.0	-131.65	334.24	6.50	-125.15
COC1=C2SC([N-]C(=O)C3CCC(C(=O)[O-])CC3)=NC2=CC=C1	REAL300012133247	1	39	-2.0	-102.09	336.08	6.48	-95.61
COC1=C2SC([N-]C(=O)C(C)(OC)C(=O)[O-])=NC2=CC=C1	REAL300012133250	1	33	-2.0	-123.42	297.12	4.32	-119.10
COC1=C2SC([N-]C(=O)C3(C(=O)[O-])CC3(C)C)=NC2=CC=C1	REAL300012133251	1	36	-2.0	-122.86	313.19	6.13	-116.73
COC1=C2SC([N-]C(=O)C(C(=O)[O-])C3CCCC3)=NC2=CC=C1	REAL300012133252	1	39	-2.0	-129.03	335.66	6.49	-122.54
COC1=C2SC([N-]C(=O)C3(C(=O)[O-])CCCCCC3)=NC2=CC=C1	REAL300012133253	1	42	-2.0	-123.29	332.64	7.28	-116.01
CCCNC(=O)CC1=CSC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300012133866	1	39	-2.0	-126.92	340.23	3.91	-123.01
CCCNC(=O)CC1=CSC([N-]C(=O)CCCC(=O)[O-])=N1	REAL300012133867	1	38	-2.0	-111.84	340.19	3.35	-108.49
CCCNC(=O)CC1=CSC([N-]C(=O)COCC(=O)[O-])=N1	REAL300012133868	1	36	-2.0	-115.37	332.32	2.51	-112.86
CCCNC(=O)CC1=CSC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300012133870	1	38	-2.0	-122.51	335.14	3.88	-118.63
CCCNC(=O)CC1=CSC([N-]C(=O)C(C(=O)[O-])C(C)C)=N1	REAL300012133871	1	41	-2.0	-127.06	348.67	3.53	-123.53
CCCNC(=O)CC1=CSC([N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300012133872	1	42	-2.0	-113.94	360.79	4.33	-109.61
CCCNC(=O)CC1=CSC([N-]C(=O)CCCCC(=O)[O-])=N1	REAL300012133873	1	41	-2.0	-105.30	361.69	4.14	-101.16
CCCNC(=O)CC1=CSC([N-]C(=O)C(CC)(CC)C(=O)[O-])=N1	REAL300012133874	1	44	-2.0	-132.57	369.25	4.05	-128.52
CCCNC(=O)CC1=CSC([N-]C(=O)C2(C(=O)[O-])CC=CCC2)=N1	REAL300012133875	1	43	-2.0	-127.82	366.58	4.69	-123.13
CCCNC(=O)CC1=CSC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300012133876	1	40	-2.0	-132.36	351.87	4.12	-128.24
CCCNC(=O)CC1=CSC([N-]C(=O)C(C(=O)[O-])C(C)(C)C)=N1	REAL300012133877	1	44	-2.0	-125.46	362.87	4.27	-121.19
CCCNC(=O)CC1=CSC([N-]C(=O)C(C(=O)[O-])C2CC2)=N1	REAL300012133878	1	39	-2.0	-131.76	348.44	3.96	-127.80
CCCNC(=O)CC1=CSC([N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012133879	1	46	-2.0	-135.46	378.83	5.09	-130.37
CCCNC(=O)CC1=CSC([N-]C(=O)C2CCC(C(=O)[O-])CC2)=N1	REAL300012133880	1	45	-2.0	-105.04	380.48	4.99	-100.05
CCCNC(=O)CC1=CSC([N-]C(=O)C(C)(OC)C(=O)[O-])=N1	REAL300012133883	1	39	-2.0	-128.61	341.54	2.78	-125.83
CCCNC(=O)CC1=CSC([N-]C(=O)C2(C(=O)[O-])CC2(C)C)=N1	REAL300012133884	1	42	-2.0	-128.19	357.62	4.65	-123.54
CCCNC(=O)CC1=CSC([N-]C(=O)C(C(=O)[O-])C2CCCC2)=N1	REAL300012133885	1	45	-2.0	-131.82	376.59	5.09	-126.73
CCCNC(=O)CC1=CSC([N-]C(=O)C2(C(=O)[O-])CCCCCC2)=N1	REAL300012133886	1	48	-2.0	-124.70	377.04	5.80	-118.90
O=C([O-])C1=NC=CC=C1NC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300012133969	0	31	-2.0	-97.84	289.87	2.57	-95.27
CC(C)(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=CN=C2C(=O)[O-])=CS1	REAL300012134380	1	41	-2.0	-99.19	361.08	4.38	-94.81
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CC(=O)[N-]C1=NC(C(=O)NC2=C(C(=O)[O-])C(C3=CSC=C3)=CS2)=CS1	REAL300012152897	1	34	-2.0	-101.68	339.63	4.77	-96.91
O=C([O-])CCCC(=O)NC1=C(C(=O)[O-])C(C2=CSC=C2)=CS1	REAL300012152999	0	33	-2.0	-100.21	314.32	7.96	-92.25
O=C([O-])COCC(=O)NC1=C(C(=O)[O-])C(C2=CSC=C2)=CS1	REAL300012153000	0	31	-2.0	-102.06	306.45	7.11	-94.95
O=C([O-])C1=C(NC(=O)C2=CC=C(C(=O)[O-])C=N2)SC=C1C1=CSC=C1	REAL300012153001	0	33	-2.0	-99.89	324.95	7.63	-92.26
O=C([O-])C1=C(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)SC=C1C1=CSC=C1	REAL300012153016	0	37	-2.0	-101.64	335.35	8.94	-92.70
O=C([O-])CCCCC(=O)NC1=C(C(=O)[O-])C(C2=CSC=C2)=CS1	REAL300012153022	0	36	-2.0	-98.14	335.88	8.74	-89.40
O=C([O-])C1=C(NC(=O)C2CCC(C(=O)[O-])CC2)SC=C1C1=CSC=C1	REAL300012153066	0	40	-2.0	-109.01	347.12	9.43	-99.58
CC1CC2=C(SC(NC(=O)C3=CC=CC(C(=O)[O-])=C3)=C2C(=O)[O-])C(C)O1	REAL300012153217	0	41	-2.0	-100.28	353.02	8.42	-91.86
CC1CC2=C(SC(NC(=O)C3=CC=C(C(=O)[O-])C=C3)=C2C(=O)[O-])C(C)O1	REAL300012153219	0	41	-2.0	-98.51	353.01	8.42	-90.09
CC(=O)[N-]C1=NC(C(=O)NC2=C(C(=O)[O-])C3=C(S2)C(C)OC(C)C3)=CS1	REAL300012153758	1	41	-2.0	-102.26	365.14	3.83	-98.43
CC1CC2=C(SC(NC(=O)CCCC(=O)[O-])=C2C(=O)[O-])C(C)O1	REAL300012153853	0	40	-2.0	-100.96	339.85	7.03	-93.93
CC1CC2=C(SC(NC(=O)COCC(=O)[O-])=C2C(=O)[O-])C(C)O1	REAL300012153854	0	38	-2.0	-102.62	334.29	6.30	-96.32
CC1CC2=C(SC(NC(=O)C3=CC=C(C(=O)[O-])C=N3)=C2C(=O)[O-])C(C)O1	REAL300012153855	0	40	-2.0	-100.54	350.44	6.70	-93.84
CC1CC2=C(SC(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=C2C(=O)[O-])C(C)O1	REAL300012153869	0	44	-2.0	-101.40	360.26	7.95	-93.45
CC1CC2=C(SC(NC(=O)CCCCC(=O)[O-])=C2C(=O)[O-])C(C)O1	REAL300012153875	0	43	-2.0	-99.00	363.66	7.92	-91.08
CC1CC2=C(SC(NC(=O)C3CCC(C(=O)[O-])CC3)=C2C(=O)[O-])C(C)O1	REAL300012153917	0	47	-2.0	-99.64	379.18	8.64	-91.00
CC1CCC2=C(C1)SC(NC(=O)C1=CC=CC(C(=O)[O-])=C1)=C2C(=O)[O-]	REAL300012154075	0	40	-2.0	-101.84	343.55	10.03	-91.81
CC1CCC2=C(C1)SC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)=C2C(=O)[O-]	REAL300012154077	0	40	-2.0	-99.85	343.58	10.03	-89.82
CC1CCC2=C(C1)SC(NC(=O)CN1[N-]C=C3C1=NC=NC3=O)=C2C(=O)[O-]	REAL300012154102	0	42	-2.0	-96.21	364.85	6.36	-89.85
CC(=O)[N-]C1=NC(C(=O)NC2=C(C(=O)[O-])C3=C(CC(C)CC3)S2)=CS1	REAL300012154903	1	40	-2.0	-104.15	355.69	5.44	-98.71
CC(C(=O)[O-])C(=O)NC1=C(C(=O)[O-])C2=C(CC(C)CC2)S1	REAL300012155033	0	36	-2.0	-104.71	304.65	8.56	-96.15
CC1CCC2=C(C1)SC(NC(=O)CCCC(=O)[O-])=C2C(=O)[O-]	REAL300012155064	0	39	-2.0	-102.34	330.45	8.64	-93.70
CC1CCC2=C(C1)SC(NC(=O)COCC(=O)[O-])=C2C(=O)[O-]	REAL300012155065	0	37	-2.0	-104.10	322.58	7.80	-96.30
CC1CCC2=C(C1)SC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)=C2C(=O)[O-]	REAL300012155066	0	39	-2.0	-101.93	340.97	8.31	-93.62
CC1CCC2=C(C1)SC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)=C2C(=O)[O-]	REAL300012155083	0	43	-2.0	-102.99	350.78	9.56	-93.43
CC1CCC2=C(C1)SC(NC(=O)CCCCC(=O)[O-])=C2C(=O)[O-]	REAL300012155090	0	42	-2.0	-100.06	351.95	9.42	-90.64
CC1CCC2=C(C1)SC(NC(=O)C1CCC(C(=O)[O-])CC1)=C2C(=O)[O-]	REAL300012155149	0	46	-2.0	-111.97	363.22	10.12	-101.85
CC1CCC2=C(C1)SC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)=C2C(=O)[O-]	REAL300012155157	0	44	-2.0	-98.99	374.59	10.33	-88.66
CC1CCC2=C(C1)SC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)=C2C(=O)[O-]	REAL300012155171	0	44	-2.0	-100.15	374.62	10.31	-89.84
CC1(C)CCC2=C(C1)SC(NC(=O)C1=CC=CC(C(=O)[O-])=C1)=C2C(=O)[O-]	REAL300012155323	0	43	-2.0	-102.37	358.42	10.35	-92.02
CC1(C)CCC2=C(C1)SC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)=C2C(=O)[O-]	REAL300012155325	0	43	-2.0	-100.40	358.42	10.35	-90.05
CC(=O)[N-]C1=NC(C(=O)NC2=C(C(=O)[O-])C3=C(CC(C)(C)CC3)S2)=CS1	REAL300012155899	1	43	-2.0	-104.93	370.56	5.78	-99.15
CC1(C)CCC2=C(C1)SC(NC(=O)CCCC(=O)[O-])=C2C(=O)[O-]	REAL300012156001	0	42	-2.0	-102.79	345.30	8.97	-93.82
CC1(C)CCC2=C(C1)SC(NC(=O)COCC(=O)[O-])=C2C(=O)[O-]	REAL300012156002	0	40	-2.0	-104.64	337.42	8.13	-96.51
CC1(C)CCC2=C(C1)SC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)=C2C(=O)[O-]	REAL300012156003	0	42	-2.0	-102.53	355.82	8.63	-93.90
CC1(C)CCC2=C(C1)SC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)=C2C(=O)[O-]	REAL300012156018	0	46	-2.0	-103.57	365.71	9.89	-93.68
CC1(C)CCC2=C(C1)SC(NC(=O)CCCCC(=O)[O-])=C2C(=O)[O-]	REAL300012156024	0	45	-2.0	-100.59	366.79	9.75	-90.84
CC1(C)CCC2=C(C1)SC(NC(=O)C1CCC(C(=O)[O-])CC1)=C2C(=O)[O-]	REAL300012156068	0	49	-2.0	-101.29	384.62	10.59	-90.70
O=C([O-])C1=C(NC(=O)C2=CC(C(=O)[O-])=CC=C2)SC2=C1CCCC2	REAL300012156230	0	37	-2.0	-102.21	322.78	9.43	-92.78
O=C([O-])C1=C(NC(=O)C2=CC=C(C(=O)[O-])C=C2)SC2=C1CCCC2	REAL300012156232	0	37	-2.0	-100.24	322.75	9.42	-90.82
O=C([O-])C1=C(NC(=O)CN2[N-]C=C3C2=NC=NC3=O)SC2=C1CCCC2	REAL300012156265	0	39	-2.0	-96.64	344.05	5.75	-90.89
CC(=O)[N-]C1=NC(C(=O)NC2=C(C(=O)[O-])C3=C(CCCC3)S2)=CS1	REAL300012157289	1	37	-2.0	-104.60	334.88	4.83	-99.77
O=C([O-])CCCC(=O)NC1=C(C(=O)[O-])C2=C(CCCC2)S1	REAL300012157490	0	36	-2.0	-102.62	309.60	8.03	-94.59
O=C([O-])COCC(=O)NC1=C(C(=O)[O-])C2=C(CCCC2)S1	REAL300012157491	0	34	-2.0	-104.54	301.72	7.19	-97.35
O=C([O-])C1=C(NC(=O)C2=CC=C(C(=O)[O-])C=N2)SC2=C1CCCC2	REAL300012157492	0	36	-2.0	-102.37	320.16	7.70	-94.67
O=C([O-])C1=C(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)SC2=C1CCCC2	REAL300012157513	0	40	-2.0	-103.39	330.04	8.95	-94.44
O=C([O-])CCCCC(=O)NC1=C(C(=O)[O-])C2=C(CCCC2)S1	REAL300012157523	0	39	-2.0	-100.46	331.09	8.81	-91.65
O=C([O-])C1=C(NC(=O)C2CCC(C(=O)[O-])CC2)SC2=C1CCCC2	REAL300012157590	0	43	-2.0	-101.18	348.91	9.65	-91.53
O=C([O-])COC1=CC=C(C(=O)NC2=C(C(=O)[O-])C3=C(CCCC3)S2)C=C1	REAL300012157605	0	41	-2.0	-99.64	353.76	9.72	-89.92
O=C([O-])COC1=CC=CC(C(=O)NC2=C(C(=O)[O-])C3=C(CCCC3)S2)=C1	REAL300012157622	0	41	-2.0	-100.52	353.85	9.70	-90.82
O=C([O-])C1=C(NC(=O)C2=CC(C(=O)[O-])=CC=C2)SC=C1C1=CC=CC=C1	REAL300012157782	0	37	-2.0	-101.69	337.08	10.33	-91.36
O=C([O-])C1=C(NC(=O)C2=CC=C(C(=O)[O-])C=C2)SC=C1C1=CC=CC=C1	REAL300012157784	0	37	-2.0	-99.81	337.04	10.33	-89.48
O=C([O-])C1=C(NC(=O)CN2[N-]C=C3C2=NC=NC3=O)SC=C1C1=CC=CC=C1	REAL300012157804	0	39	-2.0	-96.09	358.30	6.65	-89.44
CC(=O)[N-]C1=NC(C(=O)NC2=C(C(=O)[O-])C(C3=CC=CC=C3)=CS2)=CS1	REAL300012158473	1	37	-2.0	-103.85	349.20	5.74	-98.11
O=C([O-])CCCC(=O)NC1=C(C(=O)[O-])C(C2=CC=CC=C2)=CS1	REAL300012158597	0	36	-2.0	-102.18	323.90	8.94	-93.24
O=C([O-])COCC(=O)NC1=C(C(=O)[O-])C(C2=CC=CC=C2)=CS1	REAL300012158598	0	34	-2.0	-104.02	316.02	8.10	-95.92
O=C([O-])C1=C(NC(=O)C2=CC=C(C(=O)[O-])C=N2)SC=C1C1=CC=CC=C1	REAL300012158599	0	36	-2.0	-101.83	334.47	8.60	-93.23
O=C([O-])C1=C(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)SC=C1C1=CC=CC=C1	REAL300012158614	0	40	-2.0	-103.64	344.95	9.92	-93.72
O=C([O-])CCCCC(=O)NC1=C(C(=O)[O-])C(C2=CC=CC=C2)=CS1	REAL300012158620	0	39	-2.0	-99.98	345.39	9.72	-90.26
O=C([O-])C1=C(NC(=O)C2CCC(C(=O)[O-])CC2)SC=C1C1=CC=CC=C1	REAL300012158669	0	43	-2.0	-111.14	356.67	10.41	-100.73
O=C([O-])COC1=CC=C(C(=O)NC2=C(C(=O)[O-])C(C3=CC=CC=C3)=CS2)C=C1	REAL300012158676	0	41	-2.0	-99.06	368.13	10.62	-88.44
O=C([O-])COC1=CC=CC(C(=O)NC2=C(C(=O)[O-])C(C3=CC=CC=C3)=CS2)=C1	REAL300012158688	0	41	-2.0	-99.88	368.14	10.61	-89.27
O=C([O-])C1=C(NC(=O)C2=CC(C(=O)[O-])=CC=C2)SC=C1C1=CC=C(F)C=C1	REAL300012158829	0	37	-2.0	-97.86	343.55	10.40	-87.46
O=C([O-])C1=C(NC(=O)C2=CC=C(C(=O)[O-])C=C2)SC=C1C1=CC=C(F)C=C1	REAL300012158831	0	37	-2.0	-96.23	343.58	10.40	-85.83
O=C([O-])CCCC(=O)NC1=C(C(=O)[O-])C(C2=CC=C(F)C=C2)=CS1	REAL300012159312	0	36	-2.0	-98.26	330.38	9.01	-89.25
O=C([O-])COCC(=O)NC1=C(C(=O)[O-])C(C2=CC=C(F)C=C2)=CS1	REAL300012159313	0	34	-2.0	-100.05	322.51	8.17	-91.88
O=C([O-])C1=C(NC(=O)C2=CC=C(C(=O)[O-])C=N2)SC=C1C1=CC=C(F)C=C1	REAL300012159314	0	36	-2.0	-98.15	340.87	8.67	-89.48
O=C([O-])C1=C(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)SC=C1C1=CC=C(F)C=C1	REAL300012159326	0	40	-2.0	-99.68	351.35	9.99	-89.69
O=C([O-])CCCCC(=O)NC1=C(C(=O)[O-])C(C2=CC=C(F)C=C2)=CS1	REAL300012159329	0	39	-2.0	-96.28	351.88	9.79	-86.49
O=C([O-])C1=C(NC(=O)C2CCC(C(=O)[O-])CC2)SC=C1C1=CC=C(F)C=C1	REAL300012159364	0	43	-2.0	-96.91	369.67	10.62	-86.29
CC(C(=O)[O-])N(C)C(=O)CC1=CSC([N-]C(=O)C(C)(C)C)=N1	REAL300012159795	1	41	-2.0	-103.41	348.53	4.95	-98.46
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300012159870	1	40	-2.0	-93.07	338.17	2.59	-90.48
CC1=C(CCC(=O)N(C)C(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300012159988	1	47	-2.0	-99.57	374.25	6.09	-93.48
CC(C(=O)[O-])N(C)C(=O)CC1=CSC([N-]C(=O)CC2=CC=CS2)=N1	REAL300012160509	1	39	-2.0	-103.13	358.32	5.81	-97.32
O=C([O-])C1=C(NC(=O)C2=CC(C(=O)[O-])=CC=C2)SC=C1C1=CC=CS1	REAL300012161028	0	34	-2.0	-99.20	327.53	9.49	-89.71
O=C([O-])C1=C(NC(=O)C2=CC=C(C(=O)[O-])C=C2)SC=C1C1=CC=CS1	REAL300012161030	0	34	-2.0	-97.30	327.47	9.49	-87.81
CC(=O)[N-]C1=NC(C(=O)NC2=C(C(=O)[O-])C(C3=CC=CS3)=CS2)=CS1	REAL300012161607	1	34	-2.0	-100.95	339.60	4.91	-96.04
CC(C(=O)[O-])C(=O)NC1=C(C(=O)[O-])C(C2=CC=CS2)=CS1	REAL300012161697	0	30	-2.0	-101.72	288.69	8.05	-93.67
O=C([O-])CCCC(=O)NC1=C(C(=O)[O-])C(C2=CC=CS2)=CS1	REAL300012161718	0	33	-2.0	-99.67	314.40	8.10	-91.57
O=C([O-])COCC(=O)NC1=C(C(=O)[O-])C(C2=CC=CS2)=CS1	REAL300012161719	0	31	-2.0	-101.58	306.53	7.26	-94.32
O=C([O-])C1=C(NC(=O)C2=CC=C(C(=O)[O-])C=N2)SC=C1C1=CC=CS1	REAL300012161720	0	33	-2.0	-99.28	324.96	7.77	-91.51
O=C([O-])C1=C(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)SC=C1C1=CC=CS1	REAL300012161735	0	37	-2.0	-100.13	335.94	9.04	-91.09
O=C([O-])CCCCC(=O)NC1=C(C(=O)[O-])C(C2=CC=CS2)=CS1	REAL300012161741	0	36	-2.0	-97.54	335.90	8.88	-88.66
O=C([O-])C1=C(NC(=O)C2CCC(C(=O)[O-])CC2)SC=C1C1=CC=CS1	REAL300012161787	0	40	-2.0	-108.61	347.10	9.57	-99.04
CN1C=C(C2=CSC(NC(=O)C3=CC=CC(C(=O)[O-])=C3)=C2C(=O)[O-])C=N1	REAL300012161941	0	37	-2.0	-104.97	340.85	8.06	-96.91
CN1C=C(C2=CSC(NC(=O)C3=CC=C(C(=O)[O-])C=C3)=C2C(=O)[O-])C=N1	REAL300012161943	0	37	-2.0	-103.38	340.81	8.06	-95.32
CN1C=C(C2=CSC(NC(=O)CN3[N-]C=C4C3=NC=NC4=O)=C2C(=O)[O-])C=N1	REAL300012161962	0	39	-2.0	-99.05	362.09	4.37	-94.68
CC(=O)[N-]C1=NC(C(=O)NC2=C(C(=O)[O-])C(C3=CN(C)N=C3)=CS2)=CS1	REAL300012162568	1	37	-2.0	-107.21	352.96	3.47	-103.74
CN1C=C(C2=CSC(NC(=O)CCCC(=O)[O-])=C2C(=O)[O-])C=N1	REAL300012162679	0	36	-2.0	-105.34	327.73	6.66	-98.68
CN1C=C(C2=CSC(NC(=O)COCC(=O)[O-])=C2C(=O)[O-])C=N1	REAL300012162680	0	34	-2.0	-107.17	319.86	5.82	-101.35
CN1C=C(C2=CSC(NC(=O)C3=CC=C(C(=O)[O-])C=N3)=C2C(=O)[O-])C=N1	REAL300012162681	0	36	-2.0	-105.62	338.24	6.33	-99.29
CN1C=C(C2=CSC(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=C2C(=O)[O-])C=N1	REAL300012162696	0	40	-2.0	-106.91	348.57	7.64	-99.27
CN1C=C(C2=CSC(NC(=O)CCCCC(=O)[O-])=C2C(=O)[O-])C=N1	REAL300012162702	0	39	-2.0	-103.44	349.23	7.44	-96.00
CN1C=C(C2=CSC(NC(=O)C3CCC(C(=O)[O-])CC3)=C2C(=O)[O-])C=N1	REAL300012162749	0	43	-2.0	-113.38	360.45	8.13	-105.25
CCOC(=O)C1=CC(C(=O)[O-])=C(NC(=O)C2=CC=CC(C(=O)[O-])=C2)S1	REAL300012162902	0	36	-2.0	-96.17	341.37	8.57	-87.60
CCOC(=O)C1=CC(C(=O)[O-])=C(NC(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300012162904	0	36	-2.0	-94.80	341.36	8.57	-86.23
CCOC(=O)C1=CC(C(=O)[O-])=C(NC(=O)CN2[N-]C=C3C2=NC=NC3=O)S1	REAL300012162924	0	38	-2.0	-91.11	362.63	4.88	-86.23
CCOC(=O)C1=CC(C(=O)[O-])=C(NC(=O)C2=CSC([N-]C(C)=O)=N2)S1	REAL300012163642	1	36	-2.0	-96.10	353.49	3.97	-92.13
CCOC(=O)C1=CC(C(=O)[O-])=C(NC(=O)CCCC(=O)[O-])S1	REAL300012163779	0	35	-2.0	-97.37	328.20	7.17	-90.20
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CC1=CC=C(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012175010	0	43	-2.0	-124.26	368.85	8.17	-116.09
CCC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC1=CC=CC(C)=C1	REAL300012175305	0	48	-2.0	-121.95	391.39	7.67	-114.28
CCC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC1=CC=CC=C1C	REAL300012175600	0	48	-2.0	-116.59	388.58	7.60	-108.99
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=NC(CC2=CC=CC=C2)=NO1	REAL300012175832	0	46	-2.0	-112.60	398.48	6.04	-106.56
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CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCO1	REAL300012176511	0	42	-2.0	-122.64	337.30	4.69	-117.95
COCCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300012176771	0	45	-2.0	-122.49	362.58	5.46	-117.03
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COC1=CC=C(OC)C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012211402	0	43	-2.0	-120.48	363.35	4.68	-115.80
CC(C)(C)C1=NN=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300012211713	0	42	-2.0	-115.47	366.70	4.67	-110.80
CCC1=NOC(CC)=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012211995	0	43	-2.0	-111.55	365.68	6.36	-105.19
O=C([O-])C1CC(NC(=O)NCC2=CN(C3=CC=CC=C3)N=N2)(C(=O)[O-])C1	REAL300012212307	0	41	-2.0	-124.63	359.71	6.00	-118.63
CC(C)CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012212522	0	44	-2.0	-121.60	352.21	7.15	-114.45
O=C([O-])C1CC(NC(=O)NCC2(CC3=CC=CC=C3)CCC2)(C(=O)[O-])C1	REAL300012212821	0	48	-2.0	-128.04	384.95	9.54	-118.50
CCCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300012213035	0	44	-2.0	-121.87	351.64	7.21	-114.66
COCCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012213256	0	42	-2.0	-121.66	352.31	4.99	-116.67
CCC1=NN(C)C(CC)=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012213551	0	47	-2.0	-121.51	392.02	6.37	-115.14
O=C([O-])C1CC(NC(=O)NC2CCCC3OCCC32)(C(=O)[O-])C1	REAL300012213963	0	43	-2.0	-114.59	336.96	5.55	-109.04
O=C([O-])C1CC(NC(=O)NC2C3C2C2CCC3C2)(C(=O)[O-])C1	REAL300012214181	0	40	-2.0	-117.80	319.33	7.52	-110.28
C=C(C)COCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012214369	0	39	-2.0	-121.57	334.97	4.67	-116.90
COC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300012214652	0	42	-2.0	-117.58	371.64	6.47	-111.11
O=C([O-])C1CC(NC(=O)NCC2C3CC4=CC=CC=C4C23)(C(=O)[O-])C1	REAL300012214953	0	43	-2.0	-123.99	357.35	8.54	-115.45
O=C([O-])C1CC(NC(=O)NC2C3CCC4=CC=CC=C4C32)(C(=O)[O-])C1	REAL300012215267	0	43	-2.0	-118.23	352.71	8.41	-109.82
O=C([O-])C1CC(NC(=O)NC2CCOC3(CCSC3)C2)(C(=O)[O-])C1	REAL300012215579	0	44	-2.0	-114.03	357.03	5.43	-108.60
CCC(C)(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012215882	0	50	-2.0	-114.92	395.85	8.85	-106.07
CC1=NOC(C)=C1C(C)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012216160	0	43	-2.0	-123.09	355.94	6.12	-116.97
O=C([O-])C1CC(NC(=O)NC2CCCC3=CC(F)=CC=C32)(C(=O)[O-])C1	REAL300012216471	0	42	-2.0	-120.37	345.21	7.49	-112.88
O=C([O-])C1CC(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)(C(=O)[O-])C1	REAL300012216716	0	45	-2.0	-116.24	358.81	7.79	-108.45
O=C([O-])C1CC(NC(=O)NCC2(CC3=CC=CC=C3)CCCC2)(C(=O)[O-])C1	REAL300012217004	0	51	-2.0	-121.57	396.79	10.15	-111.42
O=C([O-])C1CC(NC(=O)NC2CCCOC3=CC(Cl)=CC=C32)(C(=O)[O-])C1	REAL300012217251	0	43	-2.0	-118.56	368.34	7.52	-111.04
O=C([O-])C1CC(NC(=O)NC2CCCOC3=CC(F)=CC=C32)(C(=O)[O-])C1	REAL300012217534	0	43	-2.0	-118.61	358.02	7.07	-111.54
O=C([O-])C1CC(NC(=O)NC2CCCOC3=C(F)C=CC=C32)(C(=O)[O-])C1	REAL300012217823	0	43	-2.0	-117.05	354.72	7.70	-109.35
O=C([O-])C1CC(NC(=O)NC2COC3=CC(F)=CC(F)=C32)(C(=O)[O-])C1	REAL300012218290	0	37	-2.0	-112.01	332.01	5.40	-106.61
O=C([O-])C1CC(NC(=O)NCC2=CC(Cl)=CC3=C2OCC3)(C(=O)[O-])C1	REAL300012218582	0	40	-2.0	-118.49	357.93	6.41	-112.08
O=C([O-])C1CC(NC(=O)NC2CCCOC3=CC=C(F)C=C32)(C(=O)[O-])C1	REAL300012218869	0	43	-2.0	-117.20	355.09	7.67	-109.53
COC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C	REAL300012219244	0	42	-2.0	-120.15	356.73	6.20	-113.95
COC1=CC=C(OC)C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012219544	0	46	-2.0	-120.22	384.73	5.47	-114.75
CC(C)OC1=CC=C(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012219838	0	48	-2.0	-116.19	392.18	7.73	-108.46
O=C([O-])C1CC(NC(=O)NCC2(C3=CC=CC=C3Cl)CC2)(C(=O)[O-])C1	REAL300012220163	0	42	-2.0	-125.58	363.51	8.28	-117.30
O=C([O-])C1CC(NC(=O)NCCC2CCCCO2)(C(=O)[O-])C1	REAL300012220383	0	42	-2.0	-123.45	343.36	5.04	-118.41
CC1=C(C)SC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012220619	0	37	-2.0	-116.74	330.90	4.50	-112.24
CC1=CSC(C(C)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012220895	0	40	-2.0	-116.25	351.55	5.24	-111.01
CC1=NC(C)=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300012221137	0	37	-2.0	-119.35	333.50	4.60	-114.75
CCC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012221383	0	41	-2.0	-115.95	341.39	7.52	-108.43
O=C([O-])C1CC(NC(=O)NCCC2=CC3=CC=CC=C3O2)(C(=O)[O-])C1	REAL300012221692	0	41	-2.0	-120.48	354.82	7.35	-113.13
O=C([O-])C1CC(NC(=O)NCC2(C3=CC=CS3)CCCCC2)(C(=O)[O-])C1	REAL300012221956	0	48	-2.0	-115.41	386.06	8.78	-106.63
CC(C)(C)CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012222139	0	43	-2.0	-119.73	345.46	6.38	-113.35
O=C([O-])C1CC(NC(=O)NCC2(C3=CC=CC(F)=C3)CC2)(C(=O)[O-])C1	REAL300012222434	0	42	-2.0	-120.54	363.66	8.25	-112.29
COC1=CC=C(C(C)CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012222737	0	48	-2.0	-121.63	393.91	7.35	-114.28
O=C([O-])C1CC(NC(=O)NC2CC2C2=CC=CC(Cl)=C2)(C(=O)[O-])C1	REAL300012223039	0	39	-2.0	-116.74	349.76	7.98	-108.76
CS(=O)(=O)C1CCCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012223343	0	44	-2.0	-126.65	366.94	3.07	-123.58
CC(C)COC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012223640	0	48	-2.0	-117.11	398.39	7.79	-109.32
O=C([O-])C1CC(NC(=O)NCCC2=CC=C(Br)S2)(C(=O)[O-])C1	REAL300012224094	0	35	-2.0	-115.12	338.83	6.65	-108.47
CCOC1=CC2=C(C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC(C)C2	REAL300012224307	0	50	-2.0	-121.72	412.56	6.92	-114.80
O=C([O-])C1CC(NC(=O)NCCC2=CC(Cl)=CC(Cl)=C2)(C(=O)[O-])C1	REAL300012224578	0	38	-2.0	-120.12	362.12	7.94	-112.18
CCCCC1CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012224851	0	50	-2.0	-122.96	391.20	8.65	-114.31
CS(=O)(=O)N1CCCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012225159	0	43	-2.0	-119.49	362.69	2.17	-117.32
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300012225410	0	38	-2.0	-113.80	344.20	7.52	-106.28
CC1=NOC(C)=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012225610	0	37	-2.0	-117.63	324.42	4.93	-112.70
C=CCSCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012225810	0	36	-2.0	-121.46	326.24	5.81	-115.65
O=C([O-])C1CC(NC(=O)NCC2CCN(C3=CC=C(F)C(F)=C3)C2)(C(=O)[O-])C1	REAL300012226165	0	47	-2.0	-120.01	394.97	6.60	-113.41
O=C([O-])C1CC(NC(=O)NCC2CCN(C3=CC=C(Cl)C=C3)C2)(C(=O)[O-])C1	REAL300012226348	0	47	-2.0	-114.45	398.75	7.05	-107.40
O=C([O-])C1CC(NC(=O)NCC2=NC(C3CC3)=NO2)(C(=O)[O-])C1	REAL300012226570	0	37	-2.0	-111.86	328.39	3.19	-108.67
CCS(=O)(=O)N1CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012226852	0	46	-2.0	-127.64	385.86	3.15	-124.49
O=C([O-])C1CC(NC(=O)NCC2=COC(C3=CC=CS3)=N2)(C(=O)[O-])C1	REAL300012227142	0	38	-2.0	-118.48	353.11	3.42	-115.06
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(N2CCOCC2)C=C1	REAL300012227366	0	51	-2.0	-117.23	406.94	5.72	-111.51
C=C(Br)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012227594	0	29	-2.0	-118.71	281.37	4.32	-114.39
O=C([O-])C1CC(NC(=O)NCCCS(=O)(=O)C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012227850	0	44	-2.0	-126.84	389.40	4.71	-122.13
O=C([O-])C1CC(NC(=O)NCC2=NC(CC3=CC=CC=C3)=NO2)(C(=O)[O-])C1	REAL300012228223	0	43	-2.0	-112.13	378.39	5.29	-106.84
O=C([O-])C1CC(NC(=O)NCCC2=CNC3=CC(Cl)=CC=C23)(C(=O)[O-])C1	REAL300012228655	0	42	-2.0	-118.75	375.55	7.40	-111.35
O=C([O-])C1CC(NC(=O)NCCOC2=CC=CC=C2C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012228861	0	49	-2.0	-120.44	414.06	9.44	-111.00
O=C([O-])C1CC(NC(=O)NCCOCC2CC2)(C(=O)[O-])C1	REAL300012229036	0	39	-2.0	-120.89	334.36	4.79	-116.10
O=C([O-])C1CC(NC(=O)NC2CCCCC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012229332	0	45	-2.0	-117.83	352.69	9.34	-108.49
O=C([O-])C1CC(NC(=O)NCC2=CC=C3OCCCOC3=C2)(C(=O)[O-])C1	REAL300012229636	0	44	-2.0	-116.50	368.27	6.01	-110.49
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2OC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012229885	0	46	-2.0	-122.56	394.77	8.99	-113.57
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300012230170	0	43	-2.0	-119.25	368.05	5.70	-113.55
O=C([O-])C1CC(NC(=O)NCC2CCSCC2)(C(=O)[O-])C1	REAL300012230407	0	39	-2.0	-113.96	327.27	6.23	-107.73
CC1=CC=CC=C1C(C)(C)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012230863	0	47	-2.0	-118.54	364.72	8.25	-110.29
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300012231158	0	44	-2.0	-119.94	373.57	8.53	-111.41
CC1=CC=CC(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012231457	0	47	-2.0	-122.96	378.24	8.67	-114.29
CC1=CC=CC(C(C)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012231743	0	44	-2.0	-116.36	363.93	8.11	-108.25
COC1=CC(C)=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012232030	0	42	-2.0	-122.26	358.06	6.11	-116.15
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCOCC1	REAL300012232513	0	42	-2.0	-123.54	338.00	4.91	-118.63
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012232806	0	50	-2.0	-123.38	407.97	7.32	-116.06
CCC1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012233103	0	50	-2.0	-123.15	399.73	9.44	-113.71
CN1C=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300012233400	0	38	-2.0	-120.25	348.00	4.93	-115.32
CC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Cl	REAL300012233676	0	38	-2.0	-112.71	340.89	7.17	-105.54
O=C([O-])C1CC(NC(=O)NCCCOC2CCOCC2)(C(=O)[O-])C1	REAL300012233990	0	46	-2.0	-120.14	377.36	4.22	-115.92
COC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300012234289	0	42	-2.0	-120.00	375.09	6.63	-113.37
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1C(F)(F)F	REAL300012234676	0	41	-2.0	-123.61	351.35	8.02	-115.59
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC1=CC=CS1	REAL300012234949	0	41	-2.0	-119.95	355.64	7.39	-112.56
CCC(CC)C1=NOC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012235261	0	46	-2.0	-117.98	381.15	6.82	-111.16
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)SC1=CC=CC=C1	REAL300012235569	0	42	-2.0	-121.17	369.75	8.25	-112.92
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC1=CC=C(F)C=C1	REAL300012235875	0	42	-2.0	-119.61	361.39	6.41	-113.20
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC1=CC=C(Cl)C=C1	REAL300012236169	0	42	-2.0	-119.43	371.70	6.87	-112.56
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC1=CC=CC=C1F	REAL300012236601	0	42	-2.0	-121.19	359.47	6.33	-114.86
CC1=CC=CC=C1OC(C)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012236907	0	45	-2.0	-120.74	375.05	7.10	-113.64
CCOC1CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C12CCCCC2	REAL300012237201	0	52	-2.0	-117.00	398.32	8.09	-108.91
O=C([O-])C1CC(NC(=O)NCCC2=NC(C(F)(F)F)=CS2)(C(=O)[O-])C1	REAL300012237635	0	37	-2.0	-117.93	352.67	5.02	-112.91
CSC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300012237931	0	43	-2.0	-119.51	349.34	4.99	-114.52
COC1=CC=C(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)C=C1	REAL300012238151	0	49	-2.0	-117.01	409.09	8.78	-108.23
CC1=CN=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300012238344	0	34	-2.0	-121.77	313.50	4.11	-117.66
O=C([O-])C1CC(NC(=O)NCC(C2CC2)C2CC2)(C(=O)[O-])C1	REAL300012238551	0	42	-2.0	-120.96	349.25	7.59	-113.37
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC1=CC=CC(Cl)=C1	REAL300012238839	0	42	-2.0	-119.45	371.69	6.86	-112.59
CC1=CC=C(S(=O)(=O)NCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012239047	0	46	-2.0	-125.83	404.80	3.19	-122.64
COC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(OC)=C1	REAL300012239335	0	43	-2.0	-119.04	363.34	4.69	-114.35
CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012239618	0	42	-2.0	-120.31	355.72	6.33	-113.98
O=C([O-])C1CC(NC(=O)NCCC2=CC=CC=C2Cl)(C(=O)[O-])C1	REAL300012239904	0	38	-2.0	-122.68	341.33	7.30	-115.38
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COC1=CC=CC=C1C(C)(C)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012240476	0	48	-2.0	-117.90	379.59	7.59	-110.31
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CC(C)C1=CC=C(CCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012368596	0	50	-2.0	-120.37	410.37	9.64	-110.73
COC1=CC=CC(Cl)=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012369056	0	39	-2.0	-121.16	347.64	5.83	-115.33
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CC(C)(O)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012370845	0	45	-2.0	-115.49	374.46	4.77	-110.72
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CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CS1	REAL300012371621	0	35	-2.0	-120.36	315.94	6.09	-114.27
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CCOC1=CC(C)=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012378158	0	45	-2.0	-124.11	378.95	7.07	-117.04
CCC(C)OC1=CC(C)=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012378438	0	51	-2.0	-121.17	415.81	8.44	-112.73
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COC1=CC=CC=C1C1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300012381558	0	49	-2.0	-118.25	394.06	7.78	-110.47
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC(C)C	REAL300012381768	0	52	-2.0	-119.82	428.37	7.06	-112.76
CSC1=CC=C([C@@H](C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012382455	0	42	-2.0	-115.79	363.07	7.91	-107.88
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CSC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300012384230	0	39	-2.0	-113.98	331.05	6.19	-107.79
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CC1=CSC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012384771	0	35	-2.0	-114.01	314.32	5.68	-108.33
CCCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300012385066	0	48	-2.0	-119.81	397.22	7.97	-111.84
CC1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300012385368	0	41	-2.0	-117.12	352.84	7.16	-109.96
COCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300012385709	0	42	-2.0	-123.11	345.58	4.90	-118.21
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CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCC1	REAL300012386156	0	47	-2.0	-115.64	357.10	7.51	-108.13
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CCOC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012386930	0	45	-2.0	-122.78	381.88	7.07	-115.71
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CC1CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCO1	REAL300012387775	0	42	-2.0	-120.78	341.53	4.91	-115.87
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCC2=CC=CC=C21	REAL300012388077	0	48	-2.0	-117.72	375.51	8.96	-108.76
CC1=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)SC=C1	REAL300012388318	0	38	-2.0	-116.26	335.76	6.49	-109.77
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CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1F	REAL300012389233	0	44	-2.0	-118.43	375.04	8.45	-109.98
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CCOC(C)(C)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012390021	0	41	-2.0	-120.69	333.87	4.44	-116.25
CCOC1CC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012390272	0	45	-2.0	-118.02	370.17	5.84	-112.18
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC2=CC=CC=C2S1	REAL300012390580	0	41	-2.0	-121.93	362.94	8.51	-113.42
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300012390814	0	44	-2.0	-115.19	381.27	8.43	-106.76
CC(CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC(C)(C)C	REAL300012391062	0	49	-2.0	-120.10	374.77	7.41	-112.69
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C(C)C	REAL300012391293	0	46	-2.0	-121.12	350.71	7.62	-113.50
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300012391594	0	50	-2.0	-121.15	391.64	10.03	-111.12
O=C([O-])C1CC(NC(=O)NCCOCC(F)F)(C(=O)[O-])C1	REAL300012391803	0	35	-2.0	-126.18	315.71	3.51	-122.67
O=C([O-])C1CC(NC(=O)NCCC2=CC=C3OCCC3=C2)(C(=O)[O-])C1	REAL300012392104	0	43	-2.0	-123.02	364.54	6.78	-116.24
O=C([O-])C1CC(NC(=O)NCCC2CC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012392415	0	45	-2.0	-116.85	370.42	8.63	-108.22
CCS(=O)(=O)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012392673	0	44	-2.0	-120.83	387.59	4.48	-116.35
C=C(C)C1OCCC1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012393119	0	43	-2.0	-123.00	348.06	5.16	-117.84
O=C([O-])C1CC(NC(=O)N[C@H]2C[C@H](C3=CC=CC(F)=C3)C2)(C(=O)[O-])C1	REAL300012393429	0	42	-2.0	-121.71	356.93	8.19	-113.52
O=C([O-])C1CC(NC(=O)NCC2CC(C3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012393739	0	45	-2.0	-122.79	372.01	8.74	-114.05
O=C([O-])C1CC(NC(=O)NCC2=NN=C3CCCCCN23)(C(=O)[O-])C1	REAL300012394212	0	44	-2.0	-117.97	356.00	6.33	-111.64
O=C([O-])C1CC(NC(=O)NC2CCC3(CC2)OCCO3)(C(=O)[O-])C1	REAL300012394513	0	44	-2.0	-122.85	354.99	4.70	-118.15
CC1=C(Br)C=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012395062	0	38	-2.0	-114.06	340.65	7.39	-106.67
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)N1C[C@@H](C)O[C@@H](C)C1	REAL300012395733	0	50	-2.0	-115.07	389.22	3.80	-111.27
CC1=CN=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300012396396	0	43	-2.0	-119.84	359.54	6.13	-113.71
CC(C)(C)N1N=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012396682	0	42	-2.0	-116.59	358.54	3.82	-112.77
COCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012396881	0	39	-2.0	-124.86	332.02	4.43	-120.43
O=C([O-])C1CC(NC(=O)NCCCC2=C(Cl)C=CC=C2Cl)(C(=O)[O-])C1	REAL300012397107	0	41	-2.0	-122.21	378.25	8.56	-113.65
COC1=CC=CC2=C1OCCC2NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012397449	0	44	-2.0	-119.48	356.94	5.47	-114.01
CS(=O)(=O)N1CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012397750	0	40	-2.0	-121.35	347.68	1.33	-120.02
CC1=CC=C2CCC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300012398037	0	42	-2.0	-117.89	350.04	7.98	-109.91
O=C([O-])C1CC(NC(=O)NCC2CCC(F)CC2)(C(=O)[O-])C1	REAL300012398279	0	41	-2.0	-119.37	335.61	6.66	-112.71
O=C([O-])C1CC(NC(=O)NCC2=C3SC=CC3=CC=C2)(C(=O)[O-])C1	REAL300012398755	0	38	-2.0	-119.47	341.68	7.40	-112.07
O=C([O-])C1CC(NC(=O)NCC2(C3=CC=CC=C3F)CCC2)(C(=O)[O-])C1	REAL300012399227	0	45	-2.0	-119.45	371.47	8.47	-110.98
CCC(OCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012400035	0	48	-2.0	-122.26	398.84	7.69	-114.57
O=C([O-])C1CC(NC(=O)NCC2=CC=NC(OC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300012400284	0	45	-2.0	-122.26	393.88	6.51	-115.75
CC(C)(C)OCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012401121	0	44	-2.0	-119.65	358.56	5.08	-114.57
C=CCCSCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012401591	0	39	-2.0	-121.09	347.75	6.61	-114.48
O=C([O-])C1CC(NC(=O)NC2CCC3(CCCC3)CC2)(C(=O)[O-])C1	REAL300012401872	0	48	-2.0	-117.29	365.46	7.88	-109.41
O=C([O-])C1CC(NC(=O)N[C@@H]2CCC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012402119	0	39	-2.0	-122.55	325.91	7.13	-115.42
O=C([O-])C1CC(NC(=O)NCC(F)(F)C2=CC=CC(F)=C2)(C(=O)[O-])C1	REAL300012402424	0	38	-2.0	-118.92	344.96	7.13	-111.79
O=C([O-])C1CC(NC(=O)NCC2=CC=C(C3=CC=CS3)C=C2)(C(=O)[O-])C1	REAL300012402708	0	42	-2.0	-115.58	372.80	8.68	-106.90
O=C([O-])C1CC(NC(=O)NCCOC2CC2(F)F)(C(=O)[O-])C1	REAL300012402943	0	36	-2.0	-123.83	326.47	4.19	-119.64
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(OC3CC3)=C2F)(C(=O)[O-])C1	REAL300012403335	0	43	-2.0	-123.07	371.36	7.06	-116.01
COC1=CC(C)=CC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012403924	0	45	-2.0	-118.85	377.84	6.80	-112.05
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012404209	0	44	-2.0	-117.75	355.11	7.92	-109.83
COC1=CC=CC(OC)=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012404521	0	43	-2.0	-128.77	363.46	4.87	-123.90
O=C([O-])C1CC(NC(=O)NCC2=CC=C3OC=CC3=C2)(C(=O)[O-])C1	REAL300012404940	0	38	-2.0	-121.69	334.53	6.49	-115.20
CC1(C)CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC(C)(C)C1	REAL300012405250	0	53	-2.0	-114.66	398.63	8.38	-106.28
O=C([O-])C1CC(NC(=O)NCC(OC2CCCC2)C(F)(F)F)(C(=O)[O-])C1	REAL300012405505	0	45	-2.0	-119.55	377.82	6.09	-113.46
C[C@H]1C2=CC=CC=C2C[C@H]1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012405776	0	42	-2.0	-122.77	346.44	8.38	-114.39
CCN1C=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300012406252	0	37	-2.0	-124.59	325.02	3.51	-121.08
CCN1C=C([C@@H]2OCCC[C@H]2CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012406466	0	52	-2.0	-117.96	420.43	6.32	-111.64
C[C@H]1CC[C@@](C)(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1(C)C	REAL300012406729	0	50	-2.0	-116.51	369.83	7.79	-108.72
O=C([O-])C1CC(NC(=O)NCC23OCCCC2C3(F)F)(C(=O)[O-])C1	REAL300012407041	0	40	-2.0	-121.51	336.41	5.01	-116.50
CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300012407327	0	44	-2.0	-116.95	365.35	8.05	-108.90
CC1CC(C)CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012407575	0	47	-2.0	-114.57	362.16	7.45	-107.12
O=C([O-])C1CC(NC(=O)NCCC2=CC=NC3=CC=CC=C23)(C(=O)[O-])C1	REAL300012407889	0	43	-2.0	-118.69	364.87	7.10	-111.59
CSCC1(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012408170	0	42	-2.0	-121.91	362.18	7.08	-114.83
COC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCC(C(F)F)CC1	REAL300012408452	0	48	-2.0	-122.03	383.45	6.36	-115.67
COC1=CC=C(C2=NOC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)C=C1	REAL300012408679	0	45	-2.0	-115.07	389.58	6.51	-108.56
COC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)COCC1=CC=CC=C1	REAL300012408885	0	52	-2.0	-119.96	426.06	7.01	-112.95
O=C([O-])C1CC(NC(=O)NCC2=CC(Cl)=CC(Cl)=C2)(C(=O)[O-])C1	REAL300012409171	0	35	-2.0	-116.76	340.61	7.16	-109.60
CN(CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)S(C)(=O)=O	REAL300012409576	0	42	-2.0	-127.71	364.59	1.90	-125.81
COC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCOC1	REAL300012409859	0	43	-2.0	-116.90	347.24	3.15	-113.75
CS(=O)(=O)CC1(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012410167	0	44	-2.0	-123.33	376.56	3.45	-119.88
O=C([O-])C1CC(NC(=O)NCC2=CN=C(C(F)(F)F)N=C2)(C(=O)[O-])C1	REAL300012410467	0	36	-2.0	-116.56	337.56	4.53	-112.03
COCC(CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC	REAL300012410706	0	42	-2.0	-122.88	352.61	3.18	-119.70
O=C([O-])C1CC(NC(=O)NCCC2=CC=C(C3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300012410944	0	54	-2.0	-121.45	430.50	10.74	-110.71
C=CCCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCC1	REAL300012411211	0	48	-2.0	-117.57	376.94	8.24	-109.33
CC1=CC=C2OC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC2=C1	REAL300012411523	0	41	-2.0	-116.46	354.45	7.23	-109.23
CS(=O)(=O)C1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCCC1	REAL300012411971	0	47	-2.0	-123.22	371.52	4.08	-119.14
O=C([O-])C1CC(NC(=O)NCCCCCCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012412264	0	50	-2.0	-121.55	414.64	10.06	-111.49
O=C([O-])C1CC(NC(=O)NC[C@@H]2C[C@H](C3=CC=CC=C3)CO2)(C(=O)[O-])C1	REAL300012412564	0	46	-2.0	-124.19	380.62	6.91	-117.28
O=C([O-])C1CC(NC(=O)NCC2CCCC3CC32)(C(=O)[O-])C1	REAL300012412773	0	42	-2.0	-120.43	336.69	7.14	-113.29
C=CCOCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012412961	0	39	-2.0	-119.57	337.16	4.52	-115.05
COC1=CC=CC=C1[C@@H]1C[C@H]1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012413257	0	43	-2.0	-124.52	362.79	6.93	-117.59
O=C([O-])C1CC(NC(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2Cl)(C(=O)[O-])C1	REAL300012413568	0	39	-2.0	-122.54	348.67	8.01	-114.53
CC1=CC=C(Br)C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012413949	0	38	-2.0	-113.85	343.86	7.48	-106.37
COCC1=CSC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012414235	0	39	-2.0	-120.58	352.78	4.96	-115.62
O=C([O-])C1CC(NC(=O)NCC2=CC=C(Cl)C(Cl)=C2)(C(=O)[O-])C1	REAL300012414544	0	35	-2.0	-117.00	339.07	7.12	-109.88
CC1=CN=CC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012414785	0	39	-2.0	-124.41	340.05	3.83	-120.58
O=C([O-])C1CC(NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)(C(=O)[O-])C1	REAL300012415201	0	40	-2.0	-116.19	334.28	4.97	-111.22
CN1C=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300012415512	0	45	-2.0	-121.11	381.29	8.62	-112.49
O=C([O-])C1CC(NC(=O)NC2CCC3(CC3(F)F)CC2)(C(=O)[O-])C1	REAL300012415818	0	42	-2.0	-118.19	351.34	7.20	-110.99
CN1N=CC(C2CC2)=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012416104	0	42	-2.0	-112.89	356.13	5.69	-107.20
CC1CCCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300012416335	0	42	-2.0	-115.89	341.60	4.98	-110.91
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1(F)F	REAL300012416539	0	35	-2.0	-119.90	311.86	5.39	-114.51
CC1(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1(F)F	REAL300012416944	0	38	-2.0	-119.41	329.13	5.97	-113.44
COC1=CC=C([C@H](C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(OC)=C1	REAL300012417241	0	46	-2.0	-120.49	379.70	5.58	-114.91
O=C([O-])C1CC(NC(=O)NC2COC3=CC(F)=CC=C3C2)(C(=O)[O-])C1	REAL300012417542	0	40	-2.0	-117.23	343.27	6.09	-111.14
O=C([O-])C1CC(NC(=O)NC2CCC(C3CCC3)CC2)(C(=O)[O-])C1	REAL300012417982	0	48	-2.0	-123.31	372.34	8.87	-114.44
O=C([O-])C1CC(NC(=O)NC[C@@H]2CC3=CC=CC=C3CO2)(C(=O)[O-])C1	REAL300012418294	0	43	-2.0	-117.24	358.86	6.27	-110.97
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C2OCCCC2=C1	REAL300012418708	0	46	-2.0	-121.97	378.38	7.62	-114.35
COC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300012418987	0	42	-2.0	-116.86	350.90	5.94	-110.92
O=C([O-])C1CC(NC(=O)NCC2=CN=CC=C2C(F)(F)F)(C(=O)[O-])C1	REAL300012419459	0	37	-2.0	-117.61	331.28	5.69	-111.92
CC1(C)OCCC1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012419683	0	42	-2.0	-116.00	336.67	4.33	-111.67
O=C([O-])C1CC(NC(=O)NC2C3CC4=CC(F)=CC=C4C32)(C(=O)[O-])C1	REAL300012419988	0	40	-2.0	-114.83	341.40	8.30	-106.53
O=C([O-])C1CC(NC(=O)NC2C3CC4=CC(Cl)=CC=C4C32)(C(=O)[O-])C1	REAL300012420401	0	40	-2.0	-114.61	351.72	8.75	-105.86
CC(C)OC1CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012420858	0	48	-2.0	-124.10	384.19	6.58	-117.52
O=C([O-])C1CC(NC(=O)NC2CCC23CCCC3)(C(=O)[O-])C1	REAL300012421075	0	42	-2.0	-116.89	334.68	7.08	-109.81
COC1=CC=C(F)C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012421350	0	39	-2.0	-123.88	342.43	5.45	-118.43
O=C([O-])C1CC(NC(=O)NCCC2CC2(F)F)(C(=O)[O-])C1	REAL300012421561	0	35	-2.0	-122.40	312.39	5.62	-116.78
CCCCCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012421748	0	43	-2.0	-119.84	354.73	7.03	-112.81
CCN1N=NC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012421949	0	37	-2.0	-111.45	323.02	3.31	-108.14
CC1(C)CCCC1CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012422186	0	47	-2.0	-115.16	365.18	7.35	-107.81
CC1=CC=CC2=C1CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CO2	REAL300012422497	0	43	-2.0	-118.76	354.04	6.55	-112.21
CC(C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012422808	0	47	-2.0	-117.50	377.76	9.16	-108.34
CC1(C)CC1(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012423116	0	48	-2.0	-122.35	388.59	9.04	-113.31
CC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C)=C1	REAL300012423357	0	41	-2.0	-115.53	348.25	7.39	-108.14
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)OC)=C1	REAL300012423654	0	46	-2.0	-123.79	389.54	5.40	-118.39
O=C([O-])C1CC(NC(=O)NCC2CCC3CC3C2)(C(=O)[O-])C1	REAL300012423860	0	42	-2.0	-114.33	335.07	7.16	-107.17
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300012424114	0	50	-2.0	-123.20	395.28	9.08	-114.12
CCSC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012424340	0	39	-2.0	-120.03	342.80	6.62	-113.41
CCN1N=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012424680	0	37	-2.0	-115.30	324.11	3.09	-112.21
O=C([O-])C1CC(NC(=O)NCC2=CC=C(C3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300012424960	0	42	-2.0	-115.84	373.28	8.83	-107.01
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC(F)(F)F	REAL300012425233	0	40	-2.0	-117.99	332.77	6.28	-111.71
CC1(C)C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1(F)F	REAL300012425481	0	38	-2.0	-120.27	327.80	5.89	-114.38
O=C([O-])C1CC(NC(=O)NCC(C2CCC2)C2CCC2)(C(=O)[O-])C1	REAL300012425934	0	48	-2.0	-116.06	373.14	8.46	-107.60
O=C([O-])C1CC(NC(=O)NCCC2=CC=CC(C3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300012426329	0	48	-2.0	-118.61	401.15	10.25	-108.36
O=C([O-])C1CC(NC(=O)NCC2CCC3=CC=CC=C3CC2)(C(=O)[O-])C1	REAL300012426621	0	48	-2.0	-115.93	379.53	9.15	-106.78
COC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCC1	REAL300012426933	0	45	-2.0	-120.38	358.18	5.72	-114.66
O=C([O-])C1CC(NC(=O)NCC2=C3C=COC3=CC=C2)(C(=O)[O-])C1	REAL300012427221	0	38	-2.0	-118.01	332.67	6.38	-111.63
CC1=CC=CC2=C1CCCC2NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012427533	0	45	-2.0	-123.90	353.29	7.89	-116.01
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)COC2=CC=CC=C2O1	REAL300012427837	0	44	-2.0	-121.56	366.49	6.18	-115.38
O=C([O-])C1CC(NC(=O)NCC(N2C=CC=N2)C(F)(F)F)(C(=O)[O-])C1	REAL300012428132	0	38	-2.0	-120.17	339.37	5.24	-114.93
O=C([O-])C1CC(NC(=O)NCC(F)(F)C2=CC=C(F)C=C2)(C(=O)[O-])C1	REAL300012428431	0	38	-2.0	-111.93	343.26	7.04	-104.89
CCCC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OCC	REAL300012428987	0	44	-2.0	-120.17	364.18	5.54	-114.63
CC1=CC=CC=C1C(F)(F)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012429297	0	41	-2.0	-119.36	351.73	7.42	-111.94
O=C([O-])C1CC(NC(=O)NCCC2=NSC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012429601	0	40	-2.0	-124.85	359.40	6.95	-117.90
O=C([O-])C1CC(NC(=O)NCCCC2=CC=CO2)(C(=O)[O-])C1	REAL300012429810	0	38	-2.0	-121.38	330.90	5.83	-115.55
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCCC1	REAL300012430047	0	47	-2.0	-115.46	362.36	7.58	-107.88
CN1N=CC(C(F)(F)F)=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012430351	0	38	-2.0	-112.39	345.23	4.60	-107.79
COCCOCCOCCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012430626	0	52	-2.0	-126.05	434.86	4.32	-121.73
COC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCCC1	REAL300012430914	0	48	-2.0	-120.36	377.40	6.32	-114.04
O=C([O-])C1CC(NC(=O)NCC2=CC(F)=CC=C2OC(F)F)(C(=O)[O-])C1	REAL300012431199	0	39	-2.0	-119.95	351.85	5.82	-114.13
COC1=CC=CC=C1C1=NOC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012431426	0	45	-2.0	-117.40	387.70	6.79	-110.61
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(Cl)=C2Cl)(C(=O)[O-])C1	REAL300012432039	0	35	-2.0	-115.97	335.01	6.98	-108.99
O=C([O-])C1CC(NC(=O)NCC2CCC3(CC3)CC2)(C(=O)[O-])C1	REAL300012432279	0	45	-2.0	-114.46	358.96	7.79	-106.67
O=C([O-])C1CC(NC(=O)NCC2=CC=C(OCC3=CC=CC=C3)C=C2)(C(=O)[O-])C1	REAL300012432497	0	49	-2.0	-116.20	416.69	9.34	-106.86
O=C([O-])C1CC(NC(=O)NCC2=CC=CC3=C2CCOC3)(C(=O)[O-])C1	REAL300012432949	0	43	-2.0	-116.81	355.27	5.97	-110.84
O=C([O-])C1CC(NC(=O)NCCC2CCCS2)(C(=O)[O-])C1	REAL300012433190	0	39	-2.0	-119.86	332.13	6.22	-113.64
CC1=C(F)C=C2NC=C(CCNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300012433470	0	45	-2.0	-119.03	385.49	7.60	-111.43
O=C([O-])C1CC(NC(=O)NCC2(C3CCCCO3)CCC2)(C(=O)[O-])C1	REAL300012433765	0	49	-2.0	-120.13	376.36	7.44	-112.69
CC1=CC=CC=C1[C@@H](C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012434008	0	41	-2.0	-116.42	337.22	7.39	-109.03
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300012434411	0	50	-2.0	-119.00	400.89	10.17	-108.83
O=C([O-])C1CC(NC(=O)NCC2(C(F)(F)F)CCCC2)(C(=O)[O-])C1	REAL300012434706	0	41	-2.0	-119.77	342.18	7.10	-112.67
O=C([O-])C1CC(NC(=O)NC2CCC3=CC=C(Cl)C=C32)(C(=O)[O-])C1	REAL300012435014	0	39	-2.0	-124.88	345.30	7.84	-117.04
O=C([O-])C1CC(NC(=O)N[C@@H]2CCCC3=CC=C(Cl)C=C32)(C(=O)[O-])C1	REAL300012435310	0	42	-2.0	-124.69	355.10	7.96	-116.73
O=C([O-])C1CC(NC(=O)NCCC2=CNC3=C(Cl)C=CC=C23)(C(=O)[O-])C1	REAL300012435580	0	42	-2.0	-118.33	375.59	7.40	-110.93
O=C([O-])C1CC(NC(=O)NCC2=CSC(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300012435865	0	35	-2.0	-118.03	337.76	6.29	-111.74
O=C([O-])C1CC(NC(=O)NCCC2=CNC3=CC(F)=C(Cl)C=C23)(C(=O)[O-])C1	REAL300012436079	0	42	-2.0	-119.85	381.48	7.45	-112.40
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2CC(F)(F)F)(C(=O)[O-])C1	REAL300012436347	0	41	-2.0	-118.00	357.12	7.80	-110.20
CO[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012436533	0	39	-2.0	-117.57	327.23	4.08	-113.49
O=C([O-])C1CC(NC(=O)NCC2CCCC23CC3)(C(=O)[O-])C1	REAL300012436734	0	42	-2.0	-121.69	340.94	7.03	-114.66
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CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCCO1	REAL300012437445	0	48	-2.0	-118.75	368.83	6.22	-112.53
O=C([O-])C1CC(NC(=O)NCCCN2CCCS2(=O)=O)(C(=O)[O-])C1	REAL300012437753	0	43	-2.0	-131.50	372.40	2.26	-129.24
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CC(C)(C)OC1CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012438497	0	51	-2.0	-122.99	392.71	7.37	-115.62
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC2CC2C1	REAL300012438710	0	42	-2.0	-120.30	339.13	7.21	-113.09
COC1=CC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=N1	REAL300012438985	0	41	-2.0	-123.20	355.74	3.64	-119.56
CC1=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC(F)=CC=C2N1	REAL300012439424	0	45	-2.0	-120.84	384.79	7.46	-113.38
O=C([O-])C1CC(NC(=O)NCC2=CN(C(F)F)C3=CC=CC=C23)(C(=O)[O-])C1	REAL300012439674	0	42	-2.0	-119.73	373.10	8.05	-111.68
C=CCCC(C)(C)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012439879	0	44	-2.0	-120.23	353.15	7.21	-113.02
O=C([O-])C1CC(NC(=O)NC2CCC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012440116	0	39	-2.0	-122.00	328.22	7.31	-114.69
CCC(C)(C)CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012440311	0	43	-2.0	-120.46	338.19	6.08	-114.38
CC1=NC=C(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300012440543	0	37	-2.0	-115.01	330.89	4.82	-110.19
CC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)N1C1=CC(C)=CC=C1	REAL300012440763	0	52	-2.0	-118.69	433.54	10.71	-107.98
CC1=C(C)C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300012440987	0	38	-2.0	-114.38	334.37	6.44	-107.94
CC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)N1C1=CC=CC=C1	REAL300012441371	0	49	-2.0	-118.91	409.92	9.96	-108.95
O=C([O-])C1CC(NC(=O)NCC2(CC3=CC=CC=C3)C=CCCC2)(C(=O)[O-])C1	REAL300012441606	0	52	-2.0	-125.37	405.45	10.62	-114.75
O=C([O-])C1CC(NC(=O)N[C@H]2CCC3=CC(Cl)=CC=C32)(C(=O)[O-])C1	REAL300012441901	0	39	-2.0	-120.51	343.83	7.76	-112.75
O=C([O-])C1CC(NC(=O)NC2C3CC4=C(Cl)C=CC=C4C32)(C(=O)[O-])C1	REAL300012442202	0	40	-2.0	-114.08	351.18	8.74	-105.34
CC(C)[C@@H]1C[C@H](NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300012442501	0	48	-2.0	-122.78	381.08	8.86	-113.92
O=C([O-])C1CC(NC(=O)N[C@@H]2CCC3=CC(Cl)=CC=C32)(C(=O)[O-])C1	REAL300012442806	0	39	-2.0	-119.33	342.65	7.66	-111.67
O=C([O-])C1CC(NC(=O)N[C@H]2CCCC3=CC=C(Cl)C=C32)(C(=O)[O-])C1	REAL300012443102	0	42	-2.0	-123.38	353.12	7.89	-115.49
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)O1	REAL300012443290	0	39	-2.0	-113.32	318.21	4.50	-108.82
CCC(F)(F)C(C)(C)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012443561	0	43	-2.0	-125.24	348.27	6.67	-118.57
CC1=CC=C(CCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300012443873	0	47	-2.0	-120.58	386.89	8.86	-111.72
C=CCCCCCCCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012444182	0	53	-2.0	-119.78	432.04	9.94	-109.84
O=C([O-])C1CC(NC(=O)NCCC2CC=CCC2)(C(=O)[O-])C1	REAL300012444394	0	42	-2.0	-115.71	340.23	6.95	-108.76
O=C([O-])C1CC(NC(=O)NCCC2CCSC2)(C(=O)[O-])C1	REAL300012444948	0	39	-2.0	-122.45	333.20	6.26	-116.19
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012445254	0	40	-2.0	-121.75	354.03	7.45	-114.30
O=C([O-])C1CC(NC(=O)NCC2=CC=C(OC(F)F)C=C2F)(C(=O)[O-])C1	REAL300012445706	0	39	-2.0	-119.05	350.36	5.66	-113.39
CC(C)(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300012445977	0	44	-2.0	-120.24	370.37	7.08	-113.16
O=C([O-])C1CC(NC(=O)NCCSCCC(F)(F)F)(C(=O)[O-])C1	REAL300012446289	0	38	-2.0	-120.82	353.07	6.44	-114.38
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C(C)(F)F	REAL300012446532	0	40	-2.0	-125.32	328.37	5.94	-119.38
O=C([O-])C1CC(NC(=O)NCC2=C(Cl)C=CC=C2OC(F)F)(C(=O)[O-])C1	REAL300012446762	0	39	-2.0	-118.55	357.40	6.10	-112.45
O=C([O-])C1CC(NC(=O)NCC2(C3=CC=CC(Cl)=C3)CCC2)(C(=O)[O-])C1	REAL300012447007	0	45	-2.0	-117.24	384.84	9.01	-108.23
O=C([O-])C1CC(NC(=O)NCC2CCC23CCOCC3)(C(=O)[O-])C1	REAL300012447277	0	46	-2.0	-123.95	363.27	5.60	-118.35
O=C([O-])C1CC(NC(=O)NCC2CC3(CO2)CCOCC3)(C(=O)[O-])C1	REAL300012447592	0	47	-2.0	-116.90	371.12	3.86	-113.04
O=C([O-])C1CC(NC(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)(C(=O)[O-])C1	REAL300012447893	0	42	-2.0	-117.55	351.10	7.08	-110.47
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300012448104	0	47	-2.0	-131.08	404.94	5.05	-126.03
O=C([O-])C1CC(NC(=O)NCC2CC3CC2C2CC23)(C(=O)[O-])C1	REAL300012448328	0	43	-2.0	-122.54	336.28	7.28	-115.26
O=C([O-])C1CC(NC(=O)NC[C@@H]2C[C@H]2C2CCOCC2)(C(=O)[O-])C1	REAL300012448611	0	46	-2.0	-122.29	373.05	6.23	-116.06
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=NN=NN1C1CC1	REAL300012448897	0	40	-2.0	-117.79	348.02	4.46	-113.33
COC(C)(C)CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012449108	0	41	-2.0	-123.70	332.03	3.98	-119.72
COC1=CC=CC2=C1OCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C2	REAL300012449532	0	44	-2.0	-123.08	366.00	5.99	-117.09
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=NN1C	REAL300012449739	0	38	-2.0	-114.51	319.61	4.35	-110.16
COC1=CC=CC=C1[C@@H](C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012450015	0	42	-2.0	-120.54	350.19	6.29	-114.25
COC1=CC=CC=C1[C@H](C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012450302	0	42	-2.0	-126.68	351.61	6.41	-120.27
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1OC	REAL300012450748	0	45	-2.0	-120.15	373.12	7.66	-112.49
COCC1CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012450945	0	39	-2.0	-117.09	326.78	4.22	-112.87
CC1=CC=CC2=C1OCCC2NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012451241	0	43	-2.0	-116.16	355.10	7.01	-109.15
O=C([O-])C1CC(NC(=O)NCC2=C3C=CNC3=CC=C2)(C(=O)[O-])C1	REAL300012451679	0	39	-2.0	-120.70	336.61	6.08	-114.62
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC2=CN=CC=C2O1	REAL300012451992	0	40	-2.0	-114.53	348.03	5.65	-108.88
O=C([O-])C1CC(NC(=O)NCCC2=CNC3=C(F)C=C(Cl)C=C23)(C(=O)[O-])C1	REAL300012452364	0	42	-2.0	-118.14	382.07	7.47	-110.67
O=C([O-])C1CC(NC(=O)NC2CCCN3N=CC=C23)(C(=O)[O-])C1	REAL300012452589	0	39	-2.0	-121.53	323.56	4.54	-116.99
O=C([O-])C1CC(NC(=O)NCC2CCC3(CCC3)O2)(C(=O)[O-])C1	REAL300012452997	0	43	-2.0	-118.84	350.65	5.37	-113.47
O=C([O-])C1CC(NC(=O)NC2COC3(CCC3)C2)(C(=O)[O-])C1	REAL300012453316	0	40	-2.0	-114.62	328.44	4.64	-109.98
CO[C@H]1C[C@H](CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012453505	0	39	-2.0	-120.75	328.47	4.21	-116.54
O=C([O-])C1CC(NC(=O)NCCC2CCCC2(F)F)(C(=O)[O-])C1	REAL300012453776	0	41	-2.0	-126.40	341.42	6.56	-119.84
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)OCCC2=CC=CC=C21	REAL300012454195	0	46	-2.0	-118.97	368.81	6.77	-112.20
CCSC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012454499	0	42	-2.0	-114.51	367.11	7.93	-106.58
O=C([O-])C1CC(NC(=O)NCCC2=CC=NS2)(C(=O)[O-])C1	REAL300012455005	0	34	-2.0	-117.04	311.74	4.66	-112.38
CC1(C)CCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)OC1	REAL300012455262	0	45	-2.0	-115.44	357.14	5.33	-110.11
O=C([O-])C1CC(NC(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)(C(=O)[O-])C1	REAL300012455542	0	42	-2.0	-120.96	329.83	7.09	-113.87
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O=C([O-])C1CC(NC(=O)N[C@H]2CCC3=CC(Br)=CC=C32)(C(=O)[O-])C1	REAL300012456071	0	39	-2.0	-120.48	348.39	7.86	-112.62
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC(F)(F)C1	REAL300012456296	0	38	-2.0	-118.91	322.06	6.00	-112.91
O=C([O-])C1CC(NC(=O)N[C@@H]2CCC3=CC(Br)=CC=C32)(C(=O)[O-])C1	REAL300012456518	0	39	-2.0	-119.23	347.21	7.76	-111.47
CCCC(C)CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012456694	0	43	-2.0	-120.04	347.53	6.61	-113.43
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC(F)F	REAL300012456926	0	40	-2.0	-120.31	329.18	6.11	-114.20
O=C([O-])C1CC(NC(=O)N[C@@H]2C[C@H]2C2=CC=CC(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300012457175	0	42	-2.0	-122.14	373.47	8.61	-113.53
O=C([O-])C1CC(NC(=O)NCC2CCC3(CCOCC3)CO2)(C(=O)[O-])C1	REAL300012457626	0	50	-2.0	-121.85	384.70	4.65	-117.20
COC1=CC=C(C2CC2)C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012457921	0	46	-2.0	-118.69	383.18	7.48	-111.21
CC(C)OC1=CC(Cl)=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012458172	0	45	-2.0	-117.09	390.38	7.47	-109.62
COC1=CC=CC2=C1OCCCC2NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012458437	0	47	-2.0	-119.52	377.75	7.48	-112.04
C[C@H]1C2=CC=CC=C2O[C@H]1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012459020	0	43	-2.0	-123.25	358.98	6.51	-116.74
O=C([O-])C1CC(NC(=O)NCC23CCC(CC2)O3)(C(=O)[O-])C1	REAL300012459240	0	40	-2.0	-123.00	324.79	4.61	-118.39
O=C([O-])C1CC(NC(=O)NCCCC2C=CCC2)(C(=O)[O-])C1	REAL300012459575	0	42	-2.0	-115.01	344.40	7.11	-107.90
O=C([O-])C1CC(NC(=O)NCC2=CC=C(C(F)(F)F)S2)(C(=O)[O-])C1	REAL300012459864	0	35	-2.0	-111.53	336.29	6.36	-105.17
O=C([O-])C1CC(NC(=O)NCC2CC3CCCC3O2)(C(=O)[O-])C1	REAL300012460101	0	43	-2.0	-122.63	344.60	5.26	-117.37
O=C([O-])C1CC(NC(=O)NCCN2C=CC(C(F)(F)F)=N2)(C(=O)[O-])C1	REAL300012460405	0	38	-2.0	-123.54	349.28	5.04	-118.50
C[C@@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)N=C1	REAL300012460852	0	40	-2.0	-119.62	358.93	6.23	-113.39
C[C@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)N=C1	REAL300012461130	0	40	-2.0	-119.39	358.97	6.23	-113.16
CC(C)(C)OC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012461422	0	48	-2.0	-117.92	385.83	7.20	-110.72
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Br	REAL300012461671	0	38	-2.0	-119.57	346.64	7.34	-112.23
CC(C)OC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300012461921	0	45	-2.0	-114.73	364.18	5.93	-108.80
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300012462155	0	42	-2.0	-120.05	370.67	6.77	-113.28
C=CC(C)(C)CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012462356	0	44	-2.0	-119.96	354.13	6.79	-113.17
COCC(C)(C)CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012462588	0	44	-2.0	-121.36	355.57	4.78	-116.58
CC1(C)COC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012462814	0	42	-2.0	-116.38	343.01	4.53	-111.85
O=C([O-])C1CC(NC(=O)NCC(F)(F)C2=CC=C(F)C=C2F)(C(=O)[O-])C1	REAL300012463089	0	38	-2.0	-111.48	346.32	6.93	-104.55
CC(C)(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300012463491	0	44	-2.0	-119.89	378.44	7.90	-111.99
CC1=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=C(F)C=C2N1	REAL300012463924	0	45	-2.0	-118.64	384.71	7.46	-111.18
COC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300012464224	0	39	-2.0	-119.93	352.68	6.00	-113.93
CC1=CC(F)=CC=C1[C@@H](C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012464506	0	41	-2.0	-119.85	344.99	7.56	-112.29
CC1=CC(F)=CC=C1[C@H](C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012464792	0	41	-2.0	-114.13	344.15	7.48	-106.65
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=C(F)C=CC=C1F	REAL300012465095	0	38	-2.0	-125.56	333.11	7.12	-118.44
COC1=CC=C([C@H](C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300012465406	0	45	-2.0	-122.52	373.88	7.06	-115.46
O=C([O-])C1CC(NC(=O)NCC2=CC(C3CC3)=NO2)(C(=O)[O-])C1	REAL300012465799	0	38	-2.0	-118.08	333.89	5.84	-112.24
COC1=C2C(CCNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CNC2=CC=C1	REAL300012466196	0	46	-2.0	-122.60	386.99	6.23	-116.37
O=C([O-])C1CC(NC(=O)NCCC2=CC=C(Cl)C(Cl)=C2)(C(=O)[O-])C1	REAL300012466474	0	38	-2.0	-121.05	360.57	7.90	-113.15
O=C([O-])C1CC(NC(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)(C(=O)[O-])C1	REAL300012466726	0	42	-2.0	-120.88	371.62	7.02	-113.86
O=C([O-])C1CC(NC(=O)NCC2CCC(C(F)(F)F)O2)(C(=O)[O-])C1	REAL300012467020	0	39	-2.0	-118.32	341.83	4.54	-113.78
C[C@@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300012467326	0	40	-2.0	-114.01	351.09	7.57	-106.44
O=C([O-])C1CC(NC(=O)NCCC2CCC3(CCOCC3)CO2)(C(=O)[O-])C1	REAL300012467583	0	53	-2.0	-119.04	404.47	5.29	-113.75
C[C@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300012467877	0	40	-2.0	-119.94	352.55	7.68	-112.26
O=C([O-])C1CC(NC(=O)NCC2=NC(CC3=CC=CC=C3F)=NO2)(C(=O)[O-])C1	REAL300012468159	0	43	-2.0	-113.41	383.85	5.34	-108.07
CC1(C)COC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012468406	0	45	-2.0	-118.21	363.82	5.26	-112.95
CSC1CCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012468884	0	45	-2.0	-125.52	363.72	7.35	-118.17
O=C([O-])C1CC(NC(=O)NCC2CC3CCC(C2)S3)(C(=O)[O-])C1	REAL300012469239	0	43	-2.0	-121.23	344.78	7.16	-114.07
COC1=CC=C(F)C=C1CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012469549	0	42	-2.0	-118.03	361.65	6.27	-111.76
O=C([O-])C1CC(NC(=O)NCC[C@H]2CCCO2)(C(=O)[O-])C1	REAL300012469743	0	39	-2.0	-119.70	323.70	4.18	-115.52
CC1CC1C1CC1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012469944	0	42	-2.0	-120.20	347.87	7.43	-112.77
O=C([O-])C1CC(NC(=O)NCC2CCC3(CCC3)CO2)(C(=O)[O-])C1	REAL300012470219	0	46	-2.0	-115.64	366.19	5.96	-109.68
O=C([O-])C1CC(NC(=O)NCC[C@@H]2C[C@H]2C2CC2)(C(=O)[O-])C1	REAL300012470436	0	42	-2.0	-120.75	353.57	7.75	-113.00
O=C([O-])C1CC(NC(=O)NCC23CC2CCCC3)(C(=O)[O-])C1	REAL300012470939	0	42	-2.0	-115.51	333.12	7.04	-108.47
CC1=CC(C(F)(F)F)=NN1CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012471210	0	41	-2.0	-119.46	369.91	5.54	-113.92
CS(=O)(=O)C1CCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012471480	0	47	-2.0	-123.50	386.72	3.82	-119.68
O=C([O-])C1CC(NC(=O)NCC2C3(CC3)C23CC3)(C(=O)[O-])C1	REAL300012471684	0	40	-2.0	-121.96	343.57	7.71	-114.25
O=C([O-])C1CC(NC(=O)NC2COC3(CCCC3)C2)(C(=O)[O-])C1	REAL300012471921	0	43	-2.0	-115.35	344.00	5.22	-110.13
O=C([O-])C1CC(NC(=O)NCCC2CCC3CC32)(C(=O)[O-])C1	REAL300012472137	0	42	-2.0	-114.87	341.78	7.19	-107.68
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C(C)(C)C	REAL300012472325	0	43	-2.0	-120.70	335.60	6.06	-114.64
CN(C)S(=O)(=O)C1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012472617	0	43	-2.0	-123.09	372.66	2.64	-120.45
CSC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCCC1	REAL300012472923	0	45	-2.0	-123.76	357.29	7.33	-116.43
COCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCOC1	REAL300012473237	0	46	-2.0	-120.34	370.11	4.16	-116.18
O=C([O-])C1CC(NC(=O)NCC2CC3(CCC3)CO2)(C(=O)[O-])C1	REAL300012473485	0	43	-2.0	-121.23	351.25	5.30	-115.93
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC2=CC=CC=C21	REAL300012473783	0	47	-2.0	-125.80	388.87	10.50	-115.30
O=C([O-])C1CC(NC(=O)N[C@H]2CCC3=C(F)C=CC=C32)(C(=O)[O-])C1	REAL300012474057	0	39	-2.0	-117.10	334.82	7.39	-109.71
O=C([O-])C1CC(NC(=O)N[C@@H]2CCC3=C(F)C=CC=C32)(C(=O)[O-])C1	REAL300012474344	0	39	-2.0	-116.78	332.30	7.21	-109.57
O=C([O-])C1CC(NC(=O)NCCC2=CC=NN2C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012474638	0	45	-2.0	-119.50	379.81	7.60	-111.90
CC1CC2(CCC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)O2)CO1	REAL300012474940	0	47	-2.0	-124.42	379.27	4.26	-120.16
CC1OCC2(CCC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)O2)C1C	REAL300012475235	0	50	-2.0	-119.53	393.05	4.66	-114.87
O=C([O-])C1CC(NC(=O)NCCC2(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012475832	0	45	-2.0	-123.43	377.50	8.86	-114.57
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCOC2(CCC2)C1	REAL300012476141	0	49	-2.0	-115.15	371.34	6.34	-108.81
COC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCSC1	REAL300012476424	0	40	-2.0	-114.35	332.90	4.33	-110.02
O=C([O-])C1CC(NC(=O)NC2CCC3=CC=CC4=CC=CC2=C43)(C(=O)[O-])C1	REAL300012476720	0	45	-2.0	-121.26	364.90	9.36	-111.90
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CN(C)N=N1	REAL300012476924	0	37	-2.0	-125.06	323.58	3.51	-121.55
CCCS(=O)(=O)N1CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012477147	0	49	-2.0	-127.43	407.36	3.92	-123.51
CC(C)OC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCOC1	REAL300012477576	0	46	-2.0	-114.73	356.98	4.69	-110.04
O=C([O-])C1CC(NC(=O)NCCC2OCCC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012477884	0	46	-2.0	-118.56	375.96	6.93	-111.63
O=C([O-])C1CC(NC(=O)NCC2(C3=CC=CC=C3)CCCO2)(C(=O)[O-])C1	REAL300012478184	0	46	-2.0	-117.54	373.47	7.11	-110.43
O=C([O-])C1CC(NC(=O)NCC2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300012478484	0	39	-2.0	-116.50	344.85	3.39	-113.11
O=C([O-])C1CC(NC(=O)NCC2CCC=CCC2)(C(=O)[O-])C1	REAL300012478860	0	42	-2.0	-114.52	333.76	6.97	-107.55
COC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1OC	REAL300012479149	0	46	-2.0	-116.43	381.77	5.84	-110.59
O=C([O-])C1CC(NC(=O)NCCC2CCC3(CCC3)O2)(C(=O)[O-])C1	REAL300012479424	0	46	-2.0	-120.03	371.58	6.18	-113.85
O=C([O-])C1CC(NC(=O)NC2CC3CCC(C3)C2)(C(=O)[O-])C1	REAL300012479641	0	42	-2.0	-119.45	325.17	6.52	-112.93
O=C([O-])C1CC(NC(=O)NC2CC3C=CC2CC3)(C(=O)[O-])C1	REAL300012479849	0	40	-2.0	-116.67	317.83	6.73	-109.94
O=C([O-])C1CC(NC(=O)NCCOC2CCOCC2)(C(=O)[O-])C1	REAL300012480123	0	43	-2.0	-122.06	355.79	3.48	-118.58
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300012480370	0	38	-2.0	-120.00	333.87	6.86	-113.14
O=C([O-])C1CC(NC(=O)NCCOC2CCOC2)(C(=O)[O-])C1	REAL300012480609	0	40	-2.0	-121.07	338.12	2.66	-118.41
O=C([O-])C1CC(NC(=O)NCC2=NOC3=C2COCC3)(C(=O)[O-])C1	REAL300012480890	0	39	-2.0	-117.42	334.73	3.73	-113.69
CCOCCOCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012481137	0	42	-2.0	-123.51	358.17	3.43	-120.08
O=C([O-])C1CC(NC(=O)NCC2=CC=CC3=C2OCC3)(C(=O)[O-])C1	REAL300012481420	0	40	-2.0	-121.16	341.18	5.89	-115.27
O=C([O-])C1CC(NC(=O)NCCC2=CC=CC3=C2OCCO3)(C(=O)[O-])C1	REAL300012481725	0	44	-2.0	-119.95	370.18	6.04	-113.91
CC1=CC(F)=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(F)=C1	REAL300012482018	0	38	-2.0	-124.72	339.17	6.87	-117.85
COCC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C(C)C	REAL300012482279	0	44	-2.0	-118.95	349.88	5.22	-113.73
CCC1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=NO1	REAL300012482518	0	40	-2.0	-116.81	345.76	5.71	-111.10
CN1N=C(C2CC2)C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012482802	0	42	-2.0	-117.67	359.48	5.79	-111.88
CC(C)C[C@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012482901	1	41	-2.0	-100.29	354.81	5.01	-95.28
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CCCN(CC(=O)[O-])C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012482915	1	38	-2.0	-91.46	335.79	6.18	-85.28
CC(C(=O)[O-])N(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCC1	REAL300012482916	1	42	-2.0	-94.93	344.09	7.35	-87.58
CCCN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C(COC)C(=O)[O-]	REAL300012482917	1	45	-2.0	-106.76	377.77	7.16	-99.60
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CCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012482931	1	35	-2.0	-99.43	315.53	3.63	-95.80
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CC(C)CN(CC(=O)[O-])C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012482940	1	41	-2.0	-91.44	350.20	6.49	-84.95
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CC(C)N(CC(=O)[O-])C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012482947	1	38	-2.0	-91.83	324.42	5.70	-86.13
CCCN(CC(=O)[O-])C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012482948	1	38	-2.0	-91.46	335.79	6.18	-85.28
CCN(CC(=O)[O-])C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012482949	1	35	-2.0	-98.43	314.29	5.42	-93.01
CC[C@H](C)[C@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012482950	1	41	-2.0	-101.44	347.60	4.57	-96.87
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CCC(C)(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012482953	1	38	-2.0	-102.86	320.50	3.99	-98.87
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CC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012482956	1	42	-2.0	-106.44	360.32	6.47	-99.97
CCN(CC(=O)[O-])C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012482957	1	35	-2.0	-98.43	314.29	5.42	-93.01
CCCCCCC(C)(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012482958	1	50	-2.0	-103.93	406.49	7.08	-96.85
CN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012482959	1	45	-2.0	-94.54	383.36	8.55	-85.99
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C[C@H](C(=O)[O-])N(C)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012482971	1	35	-2.0	-92.93	306.32	4.61	-88.32
O=C([O-])[C@@H]1CCCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012482972	1	36	-2.0	-107.50	315.13	5.52	-101.98
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C[C@@]1(C(=O)[O-])CCCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012482981	1	39	-2.0	-107.85	332.27	6.06	-101.79
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COCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012482983	1	36	-2.0	-101.52	327.73	1.84	-99.68
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O=C([O-])CN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CC1	REAL300012483003	1	36	-2.0	-89.78	317.84	5.97	-83.81
O=C([O-])CN(CCC(F)(F)F)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483004	1	38	-2.0	-89.66	353.92	6.56	-83.10
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CCOC1	REAL300012483005	1	37	-2.0	-101.98	321.89	2.12	-99.86
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCCCC1	REAL300012483006	1	45	-2.0	-102.50	369.43	5.89	-96.61
CN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C(COC1CCC1)C(=O)[O-]	REAL300012483007	1	46	-2.0	-95.23	385.67	6.38	-88.85
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483008	1	46	-2.0	-111.46	391.61	9.63	-101.83
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CCOCC1	REAL300012483009	1	40	-2.0	-104.51	337.30	3.33	-101.18
C=CCCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483010	1	39	-2.0	-99.42	349.84	4.95	-94.47
O=C([O-])C(CF)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483011	1	32	-2.0	-85.65	297.99	2.63	-83.02
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483012	1	45	-2.0	-92.99	382.64	9.45	-83.54
CC(C(=O)[O-])N(C)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483013	1	35	-2.0	-92.99	306.45	4.68	-88.31
CCC(CC)(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483014	1	41	-2.0	-104.46	336.89	4.88	-99.58
COC1=CC=C(C(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)C(=O)[O-])C=C1	REAL300012483015	1	43	-2.0	-102.53	381.39	5.00	-97.53
CCC(C)N(CC(=O)[O-])C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483016	1	41	-2.0	-91.66	347.61	6.87	-84.79
CCC(COC)(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483017	1	42	-2.0	-108.31	355.42	4.18	-104.13
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483018	1	45	-2.0	-94.89	378.22	5.75	-89.14
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CCS(=O)(=O)CC1	REAL300012483019	1	42	-2.0	-106.00	362.43	1.82	-104.18
O=C([O-])C(CC1CC1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483020	1	39	-2.0	-99.57	347.15	5.20	-94.37
COCCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483021	1	39	-2.0	-98.93	350.04	2.67	-96.26
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483022	1	44	-2.0	-94.08	364.61	7.09	-86.99
O=C([O-])C(CC(F)F)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483023	1	35	-2.0	-97.89	328.71	3.90	-93.99
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483024	1	45	-2.0	-110.78	366.90	8.03	-102.75
CCCN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C(C)C(=O)[O-]	REAL300012483025	1	41	-2.0	-94.12	346.03	6.25	-87.87
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483026	1	45	-2.0	-103.87	384.24	9.28	-94.59
CCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012483027	1	45	-2.0	-107.82	377.29	7.36	-100.46
COC1CCCC(C(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)C(=O)[O-])C1	REAL300012483028	1	49	-2.0	-106.42	402.56	4.82	-101.60
O=C([O-])C(CCF)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483029	1	35	-2.0	-97.04	322.12	3.77	-93.27
COC1(CC(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)C(=O)[O-])CCC1	REAL300012483030	1	46	-2.0	-103.52	388.10	4.61	-98.91
O=C([O-])CN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCOCC1	REAL300012483031	1	43	-2.0	-92.81	359.07	5.33	-87.48
O=C([O-])CN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCCCC1	REAL300012483032	1	45	-2.0	-93.05	368.02	7.71	-85.34
C[C@H]1CC[C@@](NC(=O)NCCC2=C(F)C=C([O-])C=C2F)(C(=O)[O-])CC1	REAL300012483033	1	45	-2.0	-107.30	359.69	6.20	-101.10
COC1=CC=CC(C(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)C(=O)[O-])=C1	REAL300012483034	1	43	-2.0	-106.23	382.02	4.97	-101.26
CC(CCF)(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483035	1	38	-2.0	-98.99	327.09	4.13	-94.86
O=C([O-])C1C2=C(CCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F)OC=C2	REAL300012483036	1	40	-2.0	-94.53	349.88	6.29	-88.24
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483037	1	36	-2.0	-99.53	328.88	5.37	-94.16
COC1=CC=CC([C@H](NC(=O)NCCC2=C(F)C=C([O-])C=C2F)C(=O)[O-])=C1	REAL300012483038	1	43	-2.0	-105.98	381.41	5.01	-100.97
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483039	1	35	-2.0	-92.48	306.89	4.57	-87.91
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC2=C(F)C=C([O-])C=C2F)C1	REAL300012483040	1	45	-2.0	-110.33	381.34	7.42	-102.91
COC1=CC=CC(CC(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)C(=O)[O-])=C1	REAL300012483041	1	46	-2.0	-101.51	404.24	5.92	-95.59
CC1(C)CCCC(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)(C(=O)[O-])C1	REAL300012483042	1	48	-2.0	-108.73	373.82	6.69	-102.04
O=C([O-])C12CC(C1)CN2C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483043	1	37	-2.0	-113.70	322.43	6.15	-107.55
COC1CN(C(=O)NCCC2=C(F)C=C([O-])C=C2F)C(C)(C(=O)[O-])C1	REAL300012483044	1	43	-2.0	-106.92	365.52	5.05	-101.87
O=C([O-])C(CC1CCCOC1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483045	1	46	-2.0	-101.35	387.52	4.50	-96.85
CC(C)(C)[C@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483046	1	41	-2.0	-101.56	347.17	4.73	-96.83
C=C(Cl)CC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483047	1	36	-2.0	-99.34	344.80	4.69	-94.65
C=C(C)CC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483048	1	39	-2.0	-99.36	349.12	4.82	-94.54
O=C([O-])C12CCC(CC1)N2C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483049	1	40	-2.0	-115.40	336.91	6.97	-108.43
CC(CC1=CC=C(F)C=C1)(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483050	1	45	-2.0	-102.74	384.33	6.89	-95.85
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483051	1	36	-2.0	-99.27	328.08	5.70	-93.57
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483052	1	36	-2.0	-104.21	322.36	5.31	-98.90
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC2=C(F)C=C([O-])C=C2F)C1	REAL300012483053	1	37	-2.0	-107.67	329.31	5.59	-102.08
O=C([O-])C(CC1CCOCC1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483054	1	46	-2.0	-99.55	383.38	5.15	-94.40
CC(C)C[C@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483055	1	41	-2.0	-100.29	354.81	5.01	-95.28
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCOCC1	REAL300012483056	1	43	-2.0	-103.64	360.85	3.40	-100.24
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1=CC=CC=C1	REAL300012483057	1	39	-2.0	-103.62	351.90	5.71	-97.91
O=C([O-])C(CC1CC1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483058	1	39	-2.0	-99.57	347.15	5.20	-94.37
O=C([O-])C(CC1=CN=CS1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483059	1	38	-2.0	-99.30	361.33	3.78	-95.52
CC(C)CCCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483060	1	47	-2.0	-99.92	398.43	6.45	-93.47
O=C([O-])C(CC1CCCO1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483061	1	43	-2.0	-105.58	372.55	4.00	-101.58
CSCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483062	1	36	-2.0	-98.32	339.16	4.06	-94.26
COC[C@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483063	1	36	-2.0	-101.77	328.22	1.86	-99.91
CC[C@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483064	1	35	-2.0	-99.54	316.12	3.67	-95.87
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483065	1	42	-2.0	-98.67	380.90	6.76	-91.91
CCC(C)CC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483066	1	44	-2.0	-100.51	373.29	5.57	-94.94
C=CCCCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483067	1	42	-2.0	-99.27	371.34	5.74	-93.53
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483068	1	42	-2.0	-98.94	381.14	6.70	-92.24
O=C([O-])C1CSCCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483069	1	37	-2.0	-108.91	326.28	6.65	-102.26
CC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012483070	1	42	-2.0	-106.44	360.32	6.47	-99.97
O=C([O-])[C@H]1CCCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483071	1	36	-2.0	-107.84	315.89	5.21	-102.63
CCCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483072	1	38	-2.0	-99.79	337.86	4.38	-95.41
CC(C)[C@@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483073	1	38	-2.0	-100.07	327.81	4.02	-96.05
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483074	1	40	-2.0	-115.61	336.78	7.06	-108.55
CCN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C(C)(C)C(=O)[O-]	REAL300012483075	1	41	-2.0	-106.00	341.09	6.38	-99.62
CCCN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C(C)C(=O)[O-]	REAL300012483076	1	41	-2.0	-94.12	346.03	6.25	-87.87
O=C([O-])CN(CC(F)(F)F)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483077	1	35	-2.0	-93.88	328.91	5.94	-87.94
O=C([O-])CN(CC(F)(F)F)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483078	1	35	-2.0	-93.88	328.91	5.94	-87.94
CN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C(C)(C)C(=O)[O-]	REAL300012483079	1	38	-2.0	-105.69	321.60	5.50	-100.19
O=C([O-])[C@@H]1CCCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483080	1	36	-2.0	-107.50	315.13	5.52	-101.98
O=C([O-])CN(CCN1CCOCC1)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483081	1	48	-2.0	-91.97	402.63	3.89	-88.08
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483082	1	37	-2.0	-108.30	327.15	1.84	-106.46
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483083	1	43	-2.0	-97.40	370.96	8.46	-88.94
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCC2=C(F)C=C([O-])C=C2F)[C@H]1C(=O)[O-]	REAL300012483084	1	46	-2.0	-94.83	379.50	8.77	-86.06
CCC[C@@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483085	1	38	-2.0	-99.83	337.86	4.38	-95.45
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483086	1	44	-2.0	-95.49	372.32	6.83	-88.66
O=C([O-])[C@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1=CC=CC=C1	REAL300012483087	1	39	-2.0	-103.95	352.54	5.68	-98.27
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483088	1	44	-2.0	-100.85	392.65	5.63	-95.22
C=CCCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483089	1	39	-2.0	-99.42	349.84	4.95	-94.47
O=C([O-])C(CC1=NC=CS1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483090	1	38	-2.0	-101.67	361.07	3.68	-97.99
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483091	1	39	-2.0	-114.45	345.62	3.08	-111.37
CN1CC(C(=O)[O-])N(C(=O)NCCC2=C(F)C=C([O-])C=C2F)CC1=O	REAL300012483092	1	40	-2.0	-104.12	343.39	4.77	-99.35
C[C@]1(C(=O)[O-])CCCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483093	1	39	-2.0	-107.90	332.22	6.07	-101.83
CC(C)[C@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483094	1	38	-2.0	-99.76	327.50	3.92	-95.84
O=C([O-])[C@@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1=CC=CC=C1	REAL300012483095	1	39	-2.0	-103.76	352.28	5.76	-98.00
CC(CN1C=CC=N1)(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483096	1	42	-2.0	-106.58	361.97	5.01	-101.57
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483097	1	35	-2.0	-92.48	306.89	4.57	-87.91
CCC[C@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483098	1	38	-2.0	-99.48	337.05	4.41	-95.07
CCN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C(C)C(=O)[O-]	REAL300012483099	1	38	-2.0	-102.95	327.14	6.14	-96.81
O=C([O-])CN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCCC1	REAL300012483100	1	42	-2.0	-92.38	350.64	7.00	-85.38
CC(CN(C)C(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483101	1	38	-2.0	-93.94	326.72	5.08	-88.86
CC[C@H](C)[C@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483102	1	41	-2.0	-101.44	347.60	4.57	-96.87
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483103	1	38	-2.0	-93.71	326.79	5.60	-88.11
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CC(CO)C1	REAL300012483104	1	40	-2.0	-112.85	348.03	1.50	-111.35
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483105	1	48	-2.0	-104.25	399.81	4.87	-99.38
CC1CCC(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)(C(=O)[O-])C1	REAL300012483106	1	42	-2.0	-107.17	352.43	5.35	-101.82
CC1(C)CCCC1(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483107	1	45	-2.0	-108.89	360.30	5.97	-102.92
COCCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483108	1	39	-2.0	-98.93	350.04	2.67	-96.26
CN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012483109	1	45	-2.0	-94.54	383.36	8.55	-85.99
CC1(C)CC(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)(C(=O)[O-])C1	REAL300012483110	1	42	-2.0	-108.61	353.69	6.03	-102.58
CC1(C(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)C(=O)[O-])CC1	REAL300012483111	1	39	-2.0	-102.96	339.97	4.98	-97.98
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483112	1	48	-2.0	-103.40	400.22	4.90	-98.50
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483113	1	37	-2.0	-114.21	325.82	2.01	-112.20
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCOC1	REAL300012483114	1	40	-2.0	-98.67	350.90	2.75	-95.92
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483115	1	40	-2.0	-112.28	337.08	6.66	-105.62
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1=CNC2=CC=CC=C12	REAL300012483116	1	43	-2.0	-111.14	384.20	5.82	-105.32
O=C([O-])C12COC(CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F)C2	REAL300012483117	1	38	-2.0	-108.82	329.75	4.34	-104.48
CC1CCC(C(=O)[O-])N(C(=O)NCCC2=C(F)C=C([O-])C=C2F)C1	REAL300012483118	1	42	-2.0	-113.58	347.48	7.41	-106.17
CC(C1=CC=CC=C1)C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483119	1	45	-2.0	-102.29	382.17	6.69	-95.60
O=C([O-])C(CC1CC=CCC1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483120	1	46	-2.0	-100.31	384.61	7.42	-92.89
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCC1	REAL300012483121	1	39	-2.0	-101.75	336.50	4.50	-97.25
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCCCC1	REAL300012483122	1	45	-2.0	-102.50	369.43	5.89	-96.61
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCC1	REAL300012483123	1	39	-2.0	-101.75	336.50	4.50	-97.25
CC1CCN(C(=O)NCCC2=C(F)C=C([O-])C=C2F)C1C(=O)[O-]	REAL300012483124	1	39	-2.0	-109.10	336.48	5.84	-103.26
C=CCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483125	1	36	-2.0	-99.40	329.68	4.06	-95.34
O=C([O-])C(CC1CCCCO1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483126	1	46	-2.0	-103.95	390.57	4.80	-99.15
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483127	1	46	-2.0	-96.33	362.22	7.34	-88.99
CC1(C)CC(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)(C(=O)[O-])CCO1	REAL300012483128	1	46	-2.0	-105.45	366.41	4.63	-100.82
CC1=CC=CC2=C1CCN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)C2C(=O)[O-]	REAL300012483129	1	46	-2.0	-96.18	384.87	8.65	-87.53
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483130	1	40	-2.0	-96.49	337.89	6.55	-89.94
O=C([O-])C(CC1CC=CCC1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483131	1	46	-2.0	-100.31	384.61	7.42	-92.89
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483132	1	42	-2.0	-101.15	380.97	6.76	-94.39
COC1CC(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)(C(=O)[O-])C1	REAL300012483133	1	40	-2.0	-108.79	350.95	3.30	-105.49
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CC(F)(F)C1	REAL300012483134	1	36	-2.0	-104.30	325.92	4.36	-99.94
CO[C@H]1C[C@](NC(=O)NCCC2=C(F)C=C([O-])C=C2F)(C(=O)[O-])C1	REAL300012483135	1	40	-2.0	-107.02	349.57	3.58	-103.44
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1(C(F)(F)F)CC1	REAL300012483136	1	39	-2.0	-100.33	354.33	5.38	-94.95
CCC1(C(=O)[O-])CCCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483137	1	42	-2.0	-110.18	345.41	7.29	-102.89
O=C([O-])C(CC(F)(F)F)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483138	1	35	-2.0	-94.42	331.46	4.34	-90.08
O=C([O-])C(CC1CCOC1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483139	1	43	-2.0	-100.31	371.26	3.67	-96.64
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)COC1	REAL300012483140	1	34	-2.0	-100.34	308.46	1.35	-98.99
O=C([O-])C(CC1=CC=CS1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483141	1	39	-2.0	-100.45	366.67	5.67	-94.78
COCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012483142	1	46	-2.0	-106.51	393.50	5.69	-100.82
CC(C)C(C)(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483143	1	41	-2.0	-104.08	337.23	4.68	-99.40
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483144	1	37	-2.0	-112.32	321.19	6.65	-105.67
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483145	1	40	-2.0	-109.95	338.36	6.29	-103.66
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483146	1	45	-2.0	-103.87	384.24	9.28	-94.59
O=C([O-])C(CC1CCCCC1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483147	1	48	-2.0	-101.19	396.75	6.81	-94.38
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483148	1	45	-2.0	-101.03	396.95	7.43	-93.60
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483149	1	45	-2.0	-101.14	397.53	7.47	-93.67
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CC2CCC1C2	REAL300012483150	1	46	-2.0	-102.78	378.00	6.39	-96.39
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483151	1	48	-2.0	-101.00	396.47	6.90	-94.10
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483152	1	48	-2.0	-101.23	396.74	6.82	-94.41
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483153	1	46	-2.0	-94.83	376.99	7.49	-87.34
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483154	1	46	-2.0	-109.59	372.62	7.30	-102.29
COC1=CC=C(CC(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)C(=O)[O-])C=C1	REAL300012483155	1	46	-2.0	-101.66	404.29	5.92	-95.74
C=CCSCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483156	1	40	-2.0	-98.56	373.43	5.51	-93.05
N#CC1=CC=C(CC(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)C(=O)[O-])C=C1	REAL300012483157	1	43	-2.0	-99.92	395.62	7.01	-92.91
CCC(C(=O)[O-])N(CC)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483158	1	41	-2.0	-104.34	343.09	7.05	-97.29
COC1(C(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)C(=O)[O-])CCC1	REAL300012483159	1	43	-2.0	-98.44	363.30	3.24	-95.20
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CCC(C(F)F)CC1	REAL300012483160	1	45	-2.0	-105.68	378.30	6.66	-99.02
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CCC2=CC=CC=C2C1	REAL300012483161	1	46	-2.0	-109.31	383.81	7.75	-101.56
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CC(C(F)F)C1	REAL300012483162	1	39	-2.0	-109.07	349.32	5.15	-103.92
O=C([O-])C1CC(NC(=O)NCCC2=C(F)C=C(O)C=C2F)(C(=O)[O-])C1	REAL300012483163	0	39	-2.0	-124.39	350.28	4.13	-120.26
O=C([O-])C1CC(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)(C(=O)[O-])C1	REAL300012483163	1	38	-3.0	-175.42	346.72	4.89	-170.53
CC(C)C1=CC=C(C(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)C(=O)[O-])C=C1	REAL300012483164	1	48	-2.0	-103.47	412.51	7.69	-95.78
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483165	1	36	-2.0	-104.21	322.36	5.31	-98.90
O=C([O-])C1C2C=CC(C2)N1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483166	1	38	-2.0	-94.82	331.19	6.34	-88.48
CC1(C)CCN(C(=O)NCCC2=C(F)C=C([O-])C=C2F)C1C(=O)[O-]	REAL300012483167	1	42	-2.0	-110.26	351.26	6.18	-104.08
CCOC1=CC=C(C(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)C(=O)[O-])C=C1	REAL300012483168	1	46	-2.0	-102.58	403.87	5.90	-96.68
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483169	1	46	-2.0	-113.47	371.65	8.20	-105.27
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCC2=CC=CC=C21	REAL300012483170	1	46	-2.0	-102.81	394.87	7.75	-95.06
CC(COC1=CC=CC=C1)(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483171	1	46	-2.0	-109.34	394.96	6.74	-102.60
CC(C)CCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483172	1	44	-2.0	-99.62	376.09	5.70	-93.92
O=C([O-])C1CC2(CCC2)CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483173	1	43	-2.0	-95.54	364.40	6.95	-88.59
O=C([O-])C(CC1CCOC1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483174	1	43	-2.0	-100.31	371.26	3.67	-96.64
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2=C(F)C=C([O-])C=C2F)C1	REAL300012483175	1	40	-2.0	-104.30	358.19	6.69	-97.61
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CCCC2CC21	REAL300012483176	1	43	-2.0	-107.44	354.44	6.20	-101.24
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CCC2CC21	REAL300012483177	1	40	-2.0	-108.21	338.86	5.54	-102.67
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CC2(CCC2)C1	REAL300012483178	1	43	-2.0	-108.22	360.01	5.96	-102.26
CN(C(=O)NCCC1=C(F)C=C([O-])C=C1F)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012483179	1	45	-2.0	-95.22	385.32	8.58	-86.64
O=C([O-])C1CC2(CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F)CCCCC2	REAL300012483180	1	49	-2.0	-96.09	393.54	7.90	-88.19
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCCC1	REAL300012483181	1	42	-2.0	-102.03	352.84	5.10	-96.93
CO[C@H](C)[C@H](NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483182	1	39	-2.0	-101.73	346.37	2.86	-98.87
CC1[C@@H](C)[C@@]1(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483183	1	39	-2.0	-110.35	339.38	5.34	-105.01
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483184	1	42	-2.0	-92.99	373.29	8.43	-84.56
CC1(C)CC(C(=O)[O-])N(C(=O)NCCC2=C(F)C=C([O-])C=C2F)C1	REAL300012483185	1	42	-2.0	-94.79	354.98	6.32	-88.47
O=C([O-])C1CC(F)(F)CCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483186	1	39	-2.0	-107.89	337.47	6.65	-101.24
O=C([O-])C1N(C(=O)NCCC2=C(F)C=C([O-])C=C2F)CCC1(F)F	REAL300012483187	1	36	-2.0	-108.29	326.80	5.66	-102.63
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483188	1	42	-2.0	-101.15	380.97	6.76	-94.39
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483189	1	39	-2.0	-99.72	365.63	5.56	-94.16
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483190	1	39	-2.0	-99.13	344.30	6.19	-92.94
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CC2(CC(F)(F)C2)C1	REAL300012483191	1	43	-2.0	-107.86	379.53	6.36	-101.50
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483192	1	39	-2.0	-99.72	365.63	5.56	-94.16
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483193	1	43	-2.0	-110.65	352.75	6.67	-103.98
COCCCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483194	1	42	-2.0	-100.27	371.53	3.45	-96.82
CCCC(C(=O)[O-])N(C)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483195	1	41	-2.0	-94.03	348.29	6.38	-87.65
CCOCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483196	1	39	-2.0	-102.09	349.59	2.82	-99.27
CC(C)(C)CC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483197	1	44	-2.0	-100.86	367.20	6.01	-94.85
O=C([O-])C(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C1CCCCO1	REAL300012483198	1	43	-2.0	-103.32	367.13	4.17	-99.15
O=C([O-])C1(NC(=O)NCCC2=C(F)C=C([O-])C=C2F)CC2=CC=CC=C2C1	REAL300012483199	1	43	-2.0	-107.89	370.48	6.86	-101.03
C[C@H]1OCCN(C(=O)NCCC2=C(F)C=C([O-])C=C2F)[C@@H]1C(=O)[O-]	REAL300012483200	1	40	-2.0	-110.65	337.83	5.09	-105.56
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483201	1	42	-2.0	-95.73	358.16	6.49	-89.24
N#CCCC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300012483202	1	36	-2.0	-98.66	336.38	4.13	-94.53
O=C([O-])CN(CC1=CC=CO1)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483203	1	39	-2.0	-93.26	349.35	6.33	-86.93
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483204	1	50	-2.0	-113.01	388.43	7.10	-105.91
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483205	1	41	-2.0	-99.73	386.37	5.33	-94.40
C[C@H](C(=O)[O-])N(C)C(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300012483206	1	35	-2.0	-92.93	306.32	4.61	-88.32
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2=C(F)C=C([O-])C=C2F)C1	REAL300012483207	1	43	-2.0	-108.51	370.96	5.19	-103.32
CC1(C)CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)(C)O1	REAL300012483461	0	48	-2.0	-121.47	372.15	5.64	-115.83
CN1N=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C1CC1	REAL300012484051	0	42	-2.0	-119.10	358.69	5.72	-113.38
COC1=CC=CC(C2=NOC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)=C1	REAL300012484293	0	45	-2.0	-116.14	389.93	6.51	-109.63
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)N1CCOCC1	REAL300012484533	1	56	-2.0	-119.69	407.77	6.93	-112.76
O=C([O-])C1CC(NC(=O)NCCC2CCCO2)(C(=O)[O-])C1	REAL300012484715	0	39	-2.0	-119.38	323.44	4.15	-115.23
COC1=CC2=C(C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC(C)C2	REAL300012484981	0	47	-2.0	-121.04	390.71	5.98	-115.06
O=C([O-])C1CC(NC(=O)NCCC2=CC=CN=C2)(C(=O)[O-])C1	REAL300012485488	0	37	-2.0	-123.15	323.48	5.15	-118.00
CC1=NC=C2CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)CCC2=N1	REAL300012485951	0	43	-2.0	-117.29	357.54	5.83	-111.46
COC1=CC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1O	REAL300012486262	0	43	-2.0	-124.50	368.91	4.06	-120.44
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2C(F)(F)F)(C(=O)[O-])C1	REAL300012486567	0	38	-2.0	-120.32	335.62	7.50	-112.82
COC1=CC=C(OC)C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012486860	0	46	-2.0	-120.22	384.73	5.47	-114.75
COC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1O	REAL300012487135	0	40	-2.0	-120.53	347.41	3.28	-117.25
O=C([O-])C1CC(NC(=O)NCCC2=CC=NC=C2)(C(=O)[O-])C1	REAL300012487346	0	37	-2.0	-122.05	323.53	5.17	-116.88
CN(C)C1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012487832	0	43	-2.0	-116.55	357.95	6.48	-110.07
O=C([O-])C1CC(NC(=O)NCC2=C(F)C=CC=C2Cl)(C(=O)[O-])C1	REAL300012488315	0	35	-2.0	-119.63	324.80	6.49	-113.14
O=C([O-])C1CC(NC(=O)NCC2=CC=C(F)C=C2Br)(C(=O)[O-])C1	REAL300012488557	0	35	-2.0	-113.18	330.07	6.73	-106.45
O=C([O-])C1CC(NC(=O)NCC2=CC=C(F)C=C2F)(C(=O)[O-])C1	REAL300012488805	0	35	-2.0	-114.22	317.51	6.15	-108.07
O=C([O-])C1CC(NC(=O)NCCNC2=NC=CC(C(F)(F)F)=N2)(C(=O)[O-])C1	REAL300012489039	0	41	-2.0	-117.78	372.15	5.77	-112.01
O=C([O-])C1CC(NC(=O)NCCN2C=NC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012489331	0	41	-2.0	-120.51	354.27	7.65	-112.86
O=C([O-])C1CC(NC(=O)NCCCN2C=NC=N2)(C(=O)[O-])C1	REAL300012489547	0	37	-2.0	-117.71	324.17	6.26	-111.45
CC(C)(CO)CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012489778	0	44	-2.0	-120.86	354.81	3.18	-117.68
COC1=CC=C2NC=C(CCNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300012490064	0	46	-2.0	-124.07	388.39	6.18	-117.89
O=C([O-])C1CC(NC(=O)NC2CCN(CC3=CC=C(F)C=C3)CC2)(C(=O)[O-])C1	REAL300012490507	1	50	-2.0	-123.12	408.94	7.06	-116.06
O=C([O-])C1CC(NC(=O)NC2CCN(CC3=CC=CC=N3)CC2)(C(=O)[O-])C1	REAL300012490772	1	49	-2.0	-119.25	395.45	4.87	-114.38
O=C([O-])C1CC(NC(=O)NCC2=CC=C(OCC3=CC=CC=N3)C=C2)(C(=O)[O-])C1	REAL300012492851	0	48	-2.0	-117.57	409.46	7.65	-109.92
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(OCC3=CC=CC=N3)=C2)(C(=O)[O-])C1	REAL300012493314	0	48	-2.0	-118.74	409.47	7.65	-111.09
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(OCC(F)(F)F)=C2)(C(=O)[O-])C1	REAL300012493524	0	42	-2.0	-119.04	376.36	6.75	-112.29
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=N2)CC1	REAL300012493738	0	52	-2.0	-119.96	418.67	7.42	-112.54
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCCC3)N=C2)(C(=O)[O-])C1	REAL300012494026	0	46	-2.0	-115.01	379.35	5.97	-109.04
O=C([O-])C1CC(NC(=O)NCC2=CC=NC(N3CCOCC3)=C2)(C(=O)[O-])C1	REAL300012494300	0	47	-2.0	-114.61	387.26	4.30	-110.31
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012494590	0	48	-2.0	-121.66	399.41	7.89	-113.77
CN1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=N2)CC1	REAL300012494814	1	51	-2.0	-114.31	412.50	4.16	-110.15
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCCCCC3)N=C2)(C(=O)[O-])C1	REAL300012495028	0	52	-2.0	-120.22	409.10	7.22	-113.00
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=N2)CCO1	REAL300012495241	0	50	-2.0	-119.81	410.95	4.58	-115.23
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCCCC3)N=C2)(C(=O)[O-])C1	REAL300012495506	0	49	-2.0	-120.24	397.83	6.81	-113.43
CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012496086	0	42	-2.0	-115.08	356.79	6.29	-108.79
CCCCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012496391	0	48	-2.0	-116.87	399.79	7.87	-109.00
COC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300012496800	0	49	-2.0	-121.08	405.67	6.89	-114.19
CCCCOC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012497066	0	51	-2.0	-122.19	423.00	8.74	-113.45
O=C([O-])C1CC(NC(=O)NCC2=CC=NC(N3C=CC=N3)=C2)(C(=O)[O-])C1	REAL300012497363	0	41	-2.0	-124.96	362.76	6.66	-118.30
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3C=NC=N3)N=C2)(C(=O)[O-])C1	REAL300012497666	0	40	-2.0	-115.02	355.79	7.89	-107.13
O=C([O-])C1CC(NC(=O)NCC2=CC=NC(OC3CCCC3)=C2)(C(=O)[O-])C1	REAL300012497944	0	48	-2.0	-114.78	398.33	5.94	-108.84
O=C([O-])C1CC(NC(=O)NCC2=CC=C(OC3CCCC3)N=C2)(C(=O)[O-])C1	REAL300012498214	0	48	-2.0	-119.27	400.01	6.01	-113.26
O=C([O-])C1CC(NC(=O)NCC2=CC=CN=C2OC2CCCC2)(C(=O)[O-])C1	REAL300012498484	0	48	-2.0	-120.93	397.27	5.99	-114.94
O=C([O-])C1CC(NC(=O)NCC2=CC=NC(OCC(F)(F)F)=C2)(C(=O)[O-])C1	REAL300012498703	0	41	-2.0	-120.27	375.67	4.26	-116.01
O=C([O-])C1CC(NC(=O)NCC2=CC=C(OCC(F)(F)F)N=C2)(C(=O)[O-])C1	REAL300012498917	0	41	-2.0	-118.42	375.62	4.24	-114.18
O=C([O-])C1CC(NC(=O)NCC2=CC=CN=C2OCC(F)(F)F)(C(=O)[O-])C1	REAL300012499131	0	41	-2.0	-122.16	372.89	4.22	-117.94
O=C([O-])C1CC(NC(=O)NCC2=CC=NC(OCC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300012499332	0	48	-2.0	-121.46	416.00	6.85	-114.61
CS(=O)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012499604	0	43	-2.0	-127.27	381.07	5.31	-121.96
CS(=O)(=O)C1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCC1	REAL300012499899	0	44	-2.0	-129.20	359.95	3.51	-125.69
NS(=O)(=O)C1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012500521	0	40	-2.0	-122.80	349.29	1.88	-120.92
O=C([O-])C1CC(NC(=O)NC2CC(C(F)(F)F)C2)(C(=O)[O-])C1	REAL300012500755	0	35	-2.0	-113.43	310.59	5.50	-107.93
CCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)OCCC2=CC=CC=C21	REAL300012501201	0	49	-2.0	-117.60	387.99	7.45	-110.15
O=C([O-])C1CC(NC(=O)NC2CCCSC2)(C(=O)[O-])C1	REAL300012501429	0	36	-2.0	-118.43	308.05	5.46	-112.97
CCCC1=NC(C)=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300012501699	0	43	-2.0	-113.39	366.45	3.73	-109.66
CCC1=NC(C)=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300012501943	0	40	-2.0	-119.47	346.80	3.04	-116.43
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CC=C2)C2CC2)(C(=O)[O-])C1	REAL300012502252	0	45	-2.0	-116.32	375.98	8.88	-107.44
COC1(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300012502482	0	42	-2.0	-123.43	344.25	4.78	-118.65
CC(C)(CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CC1	REAL300012502696	0	44	-2.0	-114.90	345.95	6.74	-108.16
O=C([O-])C1CC(NC(=O)NC[C@@H]2C[C@H]2C2CCCCC2)(C(=O)[O-])C1	REAL300012502972	0	48	-2.0	-114.94	380.54	8.51	-106.43
CN1C=CN=C1C1CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCO1	REAL300012503272	0	46	-2.0	-118.38	375.30	5.69	-112.69
O=C([O-])C1CC(NC(=O)N[C@@H]2CCO[C@@H](C3=CC=CC=N3)C2)(C(=O)[O-])C1	REAL300012504074	0	45	-2.0	-117.96	369.58	5.68	-112.28
COC1CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C12CCC2	REAL300012504314	0	43	-2.0	-120.34	351.96	5.53	-114.81
O=C([O-])C1CC(NC(=O)NCC2=NC(C3=CC=CC=N3)=NN2)(C(=O)[O-])C1	REAL300012504622	0	40	-2.0	-124.42	357.96	4.25	-120.17
CC(C)(C)OC1CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C12CCC2	REAL300012504911	0	52	-2.0	-119.56	408.09	7.84	-111.72
O=C([O-])C1CC(NC(=O)NC2CCCC(C3=CC=CC(Cl)=C3)C2)(C(=O)[O-])C1	REAL300012505249	0	48	-2.0	-116.84	397.30	10.13	-106.71
O=C([O-])C1CC(NC(=O)NCC2=NN3C=CC=NC3=N2)(C(=O)[O-])C1	REAL300012505513	0	36	-2.0	-133.51	324.00	6.27	-127.24
CC(C)(C)O[C@H]1C[C@H](NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012505780	0	45	-2.0	-121.25	364.17	5.75	-115.50
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OCC1CC1	REAL300012506134	0	45	-2.0	-120.91	365.54	6.04	-114.87
CS(=O)(=O)CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300012506442	0	44	-2.0	-141.33	367.58	3.48	-137.85
O=C([O-])C1CC(NC(=O)NC[C@@H]2C[C@H]2C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012506754	0	42	-2.0	-115.84	354.48	8.19	-107.65
COCC1(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012506985	0	42	-2.0	-122.17	352.88	5.16	-117.01
CC(C)[C@@H]1CCO[C@@H]1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012507245	0	45	-2.0	-117.97	347.95	4.90	-113.07
O=C([O-])C1CC(NC(=O)NCC2CC3C=CC2CC3)(C(=O)[O-])C1	REAL300012507600	0	43	-2.0	-120.83	339.64	7.23	-113.60
C=CCN1C=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300012507844	0	38	-2.0	-124.34	337.86	4.06	-120.28
O=C([O-])C1CC(NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)(C(=O)[O-])C1	REAL300012508088	0	45	-2.0	-123.22	359.69	7.88	-115.34
O=C([O-])C1CC(NC(=O)NC[C@@H]2C[C@H]2C2CCC2)(C(=O)[O-])C1	REAL300012508302	0	42	-2.0	-114.99	346.22	7.37	-107.62
C=C[C@@H]1OCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012508512	0	40	-2.0	-121.38	336.79	4.56	-116.82
CCN1N=C(C)C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012508746	0	40	-2.0	-120.70	347.14	3.79	-116.91
O=C([O-])C1CC(NC(=O)NCC2CSC3=CC=CC=C3O2)(C(=O)[O-])C1	REAL300012509043	0	41	-2.0	-121.72	360.60	6.73	-114.99
O=C([O-])C1CC(NC(=O)NCCOCC2CCC2)(C(=O)[O-])C1	REAL300012509263	0	42	-2.0	-120.84	350.93	5.32	-115.52
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC(F)F	REAL300012509475	0	37	-2.0	-121.08	318.14	5.57	-115.51
O=C([O-])C1CC(NC(=O)NCCC2CSC3=CC=CC=C3O2)(C(=O)[O-])C1	REAL300012509729	0	44	-2.0	-120.11	380.12	7.40	-112.71
CN1C=NC(CCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012510074	0	40	-2.0	-127.25	347.78	5.97	-121.28
CC1SCCC1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012510399	0	36	-2.0	-112.58	307.35	6.35	-106.23
CCS(=O)(=O)C1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012510812	0	41	-2.0	-125.76	360.83	2.96	-122.80
O=C([O-])C1CC(NC(=O)NC2COC3=C(C2)C2=CC=CC=C2C=C3)(C(=O)[O-])C1	REAL300012511070	0	46	-2.0	-119.68	379.63	8.12	-111.56
CC(C)CCO[C@H]1CC[C@H](NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012511352	0	54	-2.0	-124.35	423.85	7.89	-116.46
O=C([O-])C1CC(NC(=O)NCC(F)(F)C2=CC(F)=CC(F)=C2)(C(=O)[O-])C1	REAL300012511621	0	38	-2.0	-116.25	351.37	7.19	-109.06
O=C([O-])C1CC(NC(=O)NOC2CCCCC2)(C(=O)[O-])C1	REAL300012511906	0	39	-2.0	-117.51	321.48	6.52	-110.99
O=C([O-])C1CC(NC(=O)NOCC2CCOC2)(C(=O)[O-])C1	REAL300012512101	0	37	-2.0	-117.95	315.06	3.98	-113.97
COC1=CC=CC=C1CONC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012512371	0	40	-2.0	-120.66	345.48	6.22	-114.44
O=C([O-])C1CC(NC(=O)NCCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012512582	0	38	-2.0	-121.56	328.64	6.93	-114.63
COC1=NC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012512817	0	38	-2.0	-118.95	331.46	2.81	-116.14
CCOC1=NC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012513100	0	41	-2.0	-119.43	353.31	3.75	-115.68
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CC(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012515266	0	44	-2.0	-114.86	365.65	7.99	-106.87
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CC1=NC=CN1C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012515830	0	44	-2.0	-121.36	377.31	8.27	-113.09
CC1=CC(C)=NN1C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012516393	0	47	-2.0	-116.51	400.80	8.01	-108.50
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)N1CCOCC1	REAL300012518849	0	44	-2.0	-115.07	346.83	2.30	-112.77
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CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=N1	REAL300012519874	1	42	-2.0	-119.93	355.45	6.04	-113.89
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012520161	0	42	-2.0	-121.66	355.68	5.94	-115.72
CN(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300012521273	1	46	-2.0	-119.46	371.88	5.97	-113.49
CN(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CSC=C1	REAL300012521570	1	43	-2.0	-114.97	354.82	4.59	-110.38
CC1=NC=CN1CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012522098	0	41	-2.0	-121.48	350.37	6.30	-115.18
O=C([O-])C1CC(NC(=O)NCCCN2CCC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012523201	0	47	-2.0	-116.83	384.01	6.66	-110.17
O=C([O-])C1CC(NC(=O)NCCCCN2CCOCC2)(C(=O)[O-])C1	REAL300012524817	1	47	-2.0	-121.35	378.58	3.19	-118.16
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CC=C2)N2CCOCC2)(C(=O)[O-])C1	REAL300012526535	0	51	-2.0	-116.16	396.38	5.38	-110.78
COCCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012526847	0	45	-2.0	-115.85	387.95	2.96	-112.89
COCCOC1=NC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012527136	0	45	-2.0	-122.52	386.94	3.01	-119.51
CC(C)OC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012527513	0	44	-2.0	-114.10	374.46	4.62	-109.48
CC(C)OC1=NC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012527822	0	44	-2.0	-119.94	373.45	4.68	-115.26
CCOCCOCC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012528045	0	52	-2.0	-123.11	439.55	7.07	-116.04
COCCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012528322	0	46	-2.0	-117.12	390.41	5.56	-111.56
O=C([O-])C1CC(NC(=O)NCCN2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012528715	0	52	-2.0	-122.72	412.73	4.97	-117.75
CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012529223	0	37	-2.0	-123.52	323.37	4.95	-118.57
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012529422	0	37	-2.0	-120.35	323.59	4.98	-115.37
O=C([O-])C1CC(NC(=O)NCCC2CCOCC2)(C(=O)[O-])C1	REAL300012529641	0	42	-2.0	-115.41	338.85	4.62	-110.79
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O=C([O-])C1CC(NC(=O)NCCOC2=CC=CC=C2F)(C(=O)[O-])C1	REAL300012530613	0	39	-2.0	-121.73	341.56	5.75	-115.98
O=C([O-])C1CC(NC(=O)NCC2=CC=C3OCCOC3=C2)(C(=O)[O-])C1	REAL300012530924	0	41	-2.0	-117.30	349.93	5.22	-112.08
CN1C2=CC=CC=C2N=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012531311	0	41	-2.0	-118.35	351.83	6.38	-111.97
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COC1=CC=C(OCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012531903	0	43	-2.0	-118.11	364.82	4.97	-113.14
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O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCSCC3)C=C2)(C(=O)[O-])C1	REAL300012539370	0	48	-2.0	-120.15	401.23	7.31	-112.84
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CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC1=CC=CC=C1	REAL300012541062	0	42	-2.0	-120.78	354.97	6.34	-114.44
CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300012541362	0	46	-2.0	-121.16	387.75	6.27	-114.89
CC(C)C1=CC=C(OCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012541656	0	48	-2.0	-117.26	395.53	7.62	-109.64
O=C([O-])C1CC(NC(=O)NCCOC2=CC=C3OCOC3=C2)(C(=O)[O-])C1	REAL300012541946	0	42	-2.0	-123.99	363.12	4.43	-119.56
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CC(O)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012542637	0	42	-2.0	-115.98	356.15	4.34	-111.64
O=C([O-])C1CC(NC(=O)NCCOC2CCCC2)(C(=O)[O-])C1	REAL300012542979	0	42	-2.0	-116.68	345.91	5.18	-111.50
CC1=NC=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012543258	0	44	-2.0	-120.73	366.33	6.97	-113.76
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2N2C=CN=C2)(C(=O)[O-])C1	REAL300012543888	0	42	-2.0	-126.75	356.50	9.22	-117.53
O=C([O-])C1CC(NC(=O)NCCCCN2C=CN=C2)(C(=O)[O-])C1	REAL300012544130	0	41	-2.0	-125.73	352.12	7.28	-118.45
CC(C)CCOCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012545104	0	44	-2.0	-120.47	363.25	5.30	-115.17
CCCCOCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012545310	0	41	-2.0	-120.51	345.68	4.79	-115.72
CS(=O)(=O)N1CCN(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012545527	0	48	-2.0	-128.72	399.16	0.56	-128.16
CC1=CC2=NC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CN2C=C1	REAL300012545819	0	41	-2.0	-124.04	353.42	7.21	-116.83
CCC(C)(C)OCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012546060	0	44	-2.0	-120.82	353.80	5.02	-115.80
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(O)=C2)(C(=O)[O-])C1	REAL300012546442	0	36	-2.0	-121.18	318.17	3.30	-117.88
CC1=NC=CN1C1=NC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012546725	0	44	-2.0	-123.03	374.89	7.53	-115.50
CC(C)(C)OC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012547185	0	48	-2.0	-115.36	385.83	7.19	-108.17
O=C([O-])CNC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300012547225	1	40	-2.0	-98.63	361.54	2.98	-95.65
CCC(NC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300012547226	1	46	-2.0	-113.60	404.15	4.85	-108.75
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300012547227	1	43	-2.0	-112.01	380.27	5.69	-106.32
CC(NC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300012547228	1	43	-2.0	-98.37	382.16	3.85	-94.52
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300012547229	1	43	-2.0	-112.01	380.27	5.69	-106.32
CC(C)(NC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300012547230	1	46	-2.0	-98.22	394.90	4.22	-94.00
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300012547231	1	46	-2.0	-112.70	402.08	6.67	-106.03
C[C@H](NC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300012547232	1	43	-2.0	-98.37	382.16	3.85	-94.52
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300012547233	1	46	-2.0	-112.70	402.08	6.67	-106.03
C[C@@H](NC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300012547234	1	43	-2.0	-100.97	382.33	3.83	-97.14
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)CC1	REAL300012547235	1	44	-2.0	-115.15	388.48	5.05	-110.10
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300012547236	1	46	-2.0	-106.51	394.67	5.81	-100.70
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300012547237	1	46	-2.0	-106.57	394.67	5.81	-100.76
O=C([O-])C(CF)NC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300012547238	1	43	-2.0	-97.96	385.94	3.84	-94.12
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300012547239	1	46	-2.0	-106.57	394.67	5.81	-100.76
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300012547240	1	46	-2.0	-101.79	394.25	5.92	-95.87
CC[C@H](NC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300012547241	1	46	-2.0	-107.90	404.15	4.85	-103.05
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300012547242	1	46	-2.0	-101.79	394.25	5.92	-95.87
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300012547243	1	46	-2.0	-106.51	394.67	5.81	-100.70
O=C([O-])C1CC(NC(=O)NCCOC2CCCCC2)(C(=O)[O-])C1	REAL300012548351	0	45	-2.0	-120.69	364.59	5.87	-114.82
CCN(CC)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CO1	REAL300012548874	1	49	-2.0	-116.26	389.11	5.46	-110.80
O=C([O-])C1CC(NC(=O)NCCN2CCC3=C(C=CS3)C2)(C(=O)[O-])C1	REAL300012549473	0	44	-2.0	-117.10	370.77	5.09	-112.01
O=C([O-])C1CC(NC(=O)NCC2(N3CCOCC3)CCSC2)(C(=O)[O-])C1	REAL300012550012	0	49	-2.0	-119.73	386.66	4.08	-115.65
CC1=NC=CN1C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300012550455	0	45	-2.0	-120.33	392.53	8.70	-111.63
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3C=CN=C3)C(F)=C2)(C(=O)[O-])C1	REAL300012550720	0	42	-2.0	-120.50	373.08	8.74	-111.76
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CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300012552066	0	41	-2.0	-120.63	350.64	7.60	-113.03
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CC(C)C1CCCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012580318	0	47	-2.0	-117.01	359.22	7.88	-109.13
CN1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012580551	1	52	-2.0	-125.88	418.82	5.43	-120.45
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CN(C)C1=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300012607864	0	39	-2.0	-123.54	348.00	4.90	-118.64
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COC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300012609154	0	38	-2.0	-122.10	331.36	3.59	-118.51
COC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300012609438	0	42	-2.0	-115.29	352.05	6.16	-109.13
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CN1N=CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C21	REAL300012610641	0	41	-2.0	-121.68	356.49	6.12	-115.56
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CN(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=C(F)C=CC=C1F	REAL300012612212	0	46	-2.0	-122.42	385.28	6.53	-115.89
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COC1CCCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012612670	0	42	-2.0	-115.82	340.20	4.74	-111.08
CC1CC(C)CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012612884	0	44	-2.0	-118.16	342.40	6.71	-111.45
COC1CCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012613809	0	45	-2.0	-122.91	359.61	5.71	-117.20
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COC1=CC=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012615556	0	37	-2.0	-122.68	329.09	1.84	-120.84
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1C	REAL300012616298	0	40	-2.0	-119.36	338.81	5.37	-113.99
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CC1=CC(N(C)C)=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012617010	0	46	-2.0	-116.71	373.63	7.23	-109.48
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CN1C=C(N2CCC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2)C=N1	REAL300012618199	0	44	-2.0	-118.16	362.46	3.58	-114.58
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CC1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300012618789	0	41	-2.0	-118.99	360.62	7.35	-111.64
CC(C)N1N=CC2=C1CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC2	REAL300012619136	0	48	-2.0	-117.97	390.09	7.07	-110.90
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CC1=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)SC=N1	REAL300012619899	0	37	-2.0	-117.08	330.45	4.58	-112.50
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CC1=C(C)SC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012620454	0	40	-2.0	-124.64	354.13	5.36	-119.28
COC1=CC=CC(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012620759	0	48	-2.0	-117.31	384.61	7.21	-110.10
C#CCSCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012621195	0	34	-2.0	-123.25	319.21	5.78	-117.47
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CC1=NC=CN1CCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012621667	0	44	-2.0	-125.83	371.87	7.08	-118.75
CCC1=NN=CN1CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012621911	0	40	-2.0	-126.09	345.69	6.85	-119.24
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300012622133	0	48	-2.0	-118.33	406.37	7.33	-111.00
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CS(=O)(=O)NC1CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012622609	0	46	-2.0	-136.72	380.12	2.06	-134.66
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CCC1=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CO1	REAL300012624098	0	37	-2.0	-118.06	324.06	2.14	-115.92
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CC(C)(CCCO)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012624624	0	44	-2.0	-121.12	351.76	3.31	-117.81
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COC1=CC=NC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012625136	0	38	-2.0	-118.37	329.11	3.63	-114.74
CC(C)(C)C1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012625445	0	47	-2.0	-121.27	366.38	8.93	-112.34
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CCC1=CC=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012626268	0	40	-2.0	-122.86	344.74	5.76	-117.10
COC1=CC=CC2=C1CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C2	REAL300012626577	0	43	-2.0	-123.85	359.17	6.76	-117.09
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012626824	0	41	-2.0	-121.56	344.23	7.52	-114.04
COC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(OC)=N1	REAL300012627133	0	42	-2.0	-117.12	363.63	1.56	-115.56
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CC1=CN=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012628049	0	39	-2.0	-125.89	339.26	3.90	-121.99
COC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(F)=C1	REAL300012628419	0	39	-2.0	-117.10	340.60	5.37	-111.73
CN(C)C1=CC=CN=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012628706	0	42	-2.0	-125.71	355.28	4.31	-121.40
O=C([O-])C1CC(NC(=O)NCC2CCC(F)(F)C2)(C(=O)[O-])C1	REAL300012629101	0	38	-2.0	-114.08	324.11	5.92	-108.16
O=C([O-])C1CC(NC(=O)NCC2=CC=C3CCCCC3=N2)(C(=O)[O-])C1	REAL300012629410	0	44	-2.0	-119.32	363.09	6.65	-112.67
COC1CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012629640	0	42	-2.0	-118.12	339.96	4.73	-113.39
CC1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300012629941	0	50	-2.0	-118.77	386.64	8.85	-109.92
O=C([O-])C1CC(NC(=O)NC2CCCC(F)(F)C2)(C(=O)[O-])C1	REAL300012630181	0	38	-2.0	-117.33	318.89	5.85	-111.48
O=C([O-])C1CC(NC(=O)NCCCN2C=NC=N2)(C(=O)[O-])C1	REAL300012630395	0	37	-2.0	-117.71	324.17	6.26	-111.45
O=C([O-])C1CC(NC(=O)NC2CC(C3=CC=CC(Cl)=C3)C2)(C(=O)[O-])C1	REAL300012630954	0	42	-2.0	-116.86	366.09	8.49	-108.37
O=C([O-])C1CC(NC(=O)NCC(CC2=CC=CC=C2)C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012631168	0	51	-2.0	-115.21	421.43	10.94	-104.27
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(C(F)F)=C2)(C(=O)[O-])C1	REAL300012631448	0	38	-2.0	-124.07	341.31	7.09	-116.98
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC1=CC=CC(F)=C1	REAL300012631758	0	42	-2.0	-121.56	361.40	6.41	-115.15
CC1=CC=CC(OC(C)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012632064	0	45	-2.0	-120.85	376.38	7.02	-113.83
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(N2CCCC2)=N1	REAL300012632514	0	49	-2.0	-124.02	402.23	6.91	-117.11
COCCCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012632764	0	49	-2.0	-123.43	413.68	6.25	-117.18
O=C([O-])C1CC(NC(=O)NCCCC2=NN=C3CCCCCN23)(C(=O)[O-])C1	REAL300012633182	0	50	-2.0	-126.04	400.74	7.95	-118.09
COC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300012633466	0	42	-2.0	-120.00	375.09	6.63	-113.37
O=C([O-])C1CC(NC(=O)NCCC2=NN(C3=CC=C(F)C=C3)C=C2)(C(=O)[O-])C1	REAL300012633687	0	45	-2.0	-125.28	392.18	8.01	-117.27
COC1=NC2=CC=CC=C2C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012633961	0	44	-2.0	-114.74	375.70	4.79	-109.95
CC1=CC=C(N2CCCC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2)C=C1	REAL300012634258	0	50	-2.0	-123.51	399.14	7.41	-116.10
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012635131	0	50	-2.0	-124.07	388.88	9.00	-115.07
O=C([O-])C1CC(NC(=O)NC[C@H]2C[C@@H]2C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012635697	0	42	-2.0	-115.64	354.19	8.19	-107.45
CSC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012636298	0	42	-2.0	-116.79	367.15	7.87	-108.92
NS(=O)(=O)CCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012636580	0	39	-2.0	-131.93	347.10	-0.31	-132.24
CNS(=O)(=O)CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012636866	0	39	-2.0	-126.23	346.83	0.13	-126.10
O=C([O-])C1CC(NC(=O)NCC(F)(F)C2=CC=C(Cl)C=C2)(C(=O)[O-])C1	REAL300012637151	0	38	-2.0	-111.80	353.58	7.49	-104.31
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCCC1	REAL300012637422	0	50	-2.0	-115.85	372.31	8.01	-107.84
CS(=O)(=O)CCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012637709	0	40	-2.0	-133.59	353.87	2.25	-131.34
O=C([O-])C1CC(NC(=O)NCC2CC3CCC2C3)(C(=O)[O-])C1	REAL300012637926	0	42	-2.0	-121.00	333.72	6.83	-114.17
COC1=CC=CC=C1N1CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012638200	0	48	-2.0	-118.82	389.48	5.35	-113.47
CC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300012638445	0	48	-2.0	-120.72	404.63	10.30	-110.42
O=C([O-])C1CC(NC(=O)NC2CCN(C3=CC=CC=N3)C2)(C(=O)[O-])C1	REAL300012638740	0	43	-2.0	-118.70	355.87	5.43	-113.27
CC(C)(C)C1CCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012639049	0	53	-2.0	-117.97	389.30	8.22	-109.75
O=C([O-])C1CC(NC(=O)NCCC2(O)CCOCC2)(C(=O)[O-])C1	REAL300012639329	0	43	-2.0	-118.24	342.44	1.61	-116.63
O=C([O-])C1CC(NC(=O)NC2CCC3=CC=CC=C3OC2)(C(=O)[O-])C1	REAL300012639641	0	43	-2.0	-120.64	354.12	6.63	-114.01
CN1C=NC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012640143	0	37	-2.0	-129.27	326.28	5.20	-124.07
O=C([O-])C1CC(NC(=O)NCC(F)(F)C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012640435	0	38	-2.0	-119.05	338.55	7.06	-111.99
O=C([O-])C1CC(NC(=O)NCC23CCC(CC2)C3)(C(=O)[O-])C1	REAL300012640652	0	42	-2.0	-115.02	333.88	6.76	-108.26
O=C([O-])C1CC(NC(=O)NCC2CC3CCC2CC3)(C(=O)[O-])C1	REAL300012640888	0	45	-2.0	-122.09	347.46	7.34	-114.75
O=C([O-])C1CC(NC(=O)NC2CCN(C3=CC=CN=N3)CC2)(C(=O)[O-])C1	REAL300012641504	0	45	-2.0	-126.26	370.63	4.94	-121.32
O=C([O-])C1CC(NC(=O)NCC2CCN(CC(F)(F)F)CC2)(C(=O)[O-])C1	REAL300012642039	0	46	-2.0	-122.51	381.16	5.35	-117.16
O=C([O-])C1CC(NC(=O)NCC2CCCN(C3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012642314	0	50	-2.0	-115.99	395.97	7.37	-108.62
CN1C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=NC2=CC=CC(Cl)=C21	REAL300012643112	0	41	-2.0	-115.04	363.47	6.72	-108.32
CN(CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC1=CC=C(F)C=C1	REAL300012643513	1	46	-2.0	-116.49	384.41	5.68	-110.81
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CC=C2)C(F)(F)F)(C(=O)[O-])C1	REAL300012644422	0	41	-2.0	-121.26	356.84	7.99	-113.27
O=C([O-])C1CC(NC(=O)NC2CC(OCC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012644717	0	46	-2.0	-116.47	387.61	7.46	-109.01
COC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCC(C)CC1	REAL300012645012	0	48	-2.0	-120.16	365.31	5.95	-114.21
O=C([O-])C1CC(NC(=O)NCC2(CN3CCOCC3)CCCCC2)(C(=O)[O-])C1	REAL300012645237	1	57	-2.0	-117.73	417.05	5.91	-111.82
CN(C)C1=NC2=CC=CC=C2C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012645466	0	48	-2.0	-116.07	397.05	7.89	-108.18
CC(C)(C)OC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012645754	0	47	-2.0	-121.03	387.98	6.33	-114.70
COCCOC1=CC(C)=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012646172	0	49	-2.0	-123.59	410.75	6.26	-117.33
CCOCCOC1=CC(C)=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012646381	0	52	-2.0	-124.33	432.60	7.23	-117.10
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(OCCC(C)C)=C1	REAL300012646591	0	54	-2.0	-120.89	437.69	9.10	-111.79
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(OC(C)(C)C)=C1	REAL300012646853	0	51	-2.0	-125.14	407.99	7.99	-117.15
O=C([O-])C1CC(NC(=O)NCCOC2=CC=CC(C(F)(F)F)=N2)(C(=O)[O-])C1	REAL300012647072	0	41	-2.0	-122.39	375.04	4.38	-118.01
CC(C)(C)OCC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300012647346	0	47	-2.0	-116.17	392.17	5.37	-110.80
O=C([O-])C1CC(NC(=O)NCC2=CC(C3CC3)=CC=C2F)(C(=O)[O-])C1	REAL300012647644	0	42	-2.0	-117.21	360.32	8.18	-109.03
CCCCC(CCC)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012647909	0	49	-2.0	-120.92	384.49	8.19	-112.73
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=NC(C2=CC=CC=C2)=NO1	REAL300012648151	0	46	-2.0	-125.06	398.41	6.29	-118.77
CCN1N=CN=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012648349	0	37	-2.0	-117.50	323.90	5.26	-112.24
COCCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCCC1	REAL300012648653	0	51	-2.0	-118.34	385.45	6.42	-111.92
CC1=CC=C(C2(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)CCC2)C=C1C	REAL300012649245	0	51	-2.0	-116.30	404.41	9.67	-106.63
O=C([O-])C1CC(NC(=O)NCCN2CCCOCC2)(C(=O)[O-])C1	REAL300012649711	1	44	-2.0	-121.24	350.57	2.72	-118.52
CC1=NC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300012649958	0	37	-2.0	-117.32	333.64	4.79	-112.53
CC(C)C1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012650244	0	44	-2.0	-115.52	365.65	7.98	-107.54
O=C([O-])C1CC(NC(=O)NCC2=CC=C(C3=CC=CO3)C=C2F)(C(=O)[O-])C1	REAL300012650529	0	42	-2.0	-119.86	370.71	7.78	-112.08
CC(C)CC1CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCO1	REAL300012650916	0	48	-2.0	-113.98	375.58	6.59	-107.39
CC(C)C1CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCO1	REAL300012651183	0	45	-2.0	-114.27	352.59	5.89	-108.38
O=C([O-])C1CC(NC(=O)NCC2(N3CCOCC3)CCCOC2)(C(=O)[O-])C1	REAL300012651442	0	52	-2.0	-119.04	388.29	2.18	-116.86
O=C([O-])C1CC(NC(=O)NCC2=NC=CC(C(F)(F)F)=N2)(C(=O)[O-])C1	REAL300012651733	0	36	-2.0	-123.70	336.72	4.39	-119.31
O=C([O-])C1CC(NC(=O)NCCS(=O)(=O)N2CCCC2)(C(=O)[O-])C1	REAL300012652305	0	43	-2.0	-129.38	371.45	2.34	-127.04
CC1=CC=C(OC(F)F)C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012652591	0	42	-2.0	-117.11	365.02	6.35	-110.76
O=C([O-])C1CC(NC(=O)NCC2=NC(C3CC3)=CS2)(C(=O)[O-])C1	REAL300012652864	0	38	-2.0	-115.49	340.81	5.25	-110.24
CC(C)C1=CSC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012653150	0	40	-2.0	-121.93	352.81	5.19	-116.74
CN1C=C(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012654045	0	45	-2.0	-127.62	379.93	8.13	-119.49
C=CCCOCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012654231	0	39	-2.0	-120.54	337.00	4.57	-115.97
O=C([O-])C1CC(NC(=O)NCC2=CN(CC(F)(F)F)N=C2)(C(=O)[O-])C1	REAL300012654520	0	38	-2.0	-123.73	349.37	5.31	-118.42
CN(C)C1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012654797	0	42	-2.0	-120.01	353.94	5.80	-114.21
CC1=CC=CC=C1C1=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300012655088	0	43	-2.0	-123.00	373.23	5.20	-117.80
CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300012655537	0	40	-2.0	-121.72	342.59	5.71	-116.01
O=C([O-])C1CC(NC(=O)NCC2=CSC(C3=CC=CO3)=N2)(C(=O)[O-])C1	REAL300012656128	0	38	-2.0	-126.06	354.17	5.00	-121.06
CCC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)CC2)=NC=N1	REAL300012656352	0	51	-2.0	-116.90	411.30	7.26	-109.64
O=C([O-])C1CC(NC(=O)NCC2=NOC(C3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300012656797	0	41	-2.0	-116.92	360.14	7.12	-109.80
CC1=CN2C=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)N=C2C=C1	REAL300012657650	0	41	-2.0	-123.27	353.54	7.20	-116.07
CN1C2=CC=C(Cl)C=C2N=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012657914	0	41	-2.0	-116.37	368.63	6.90	-109.47
CN(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300012658158	1	46	-2.0	-120.27	393.24	6.52	-113.75
O=C([O-])C1CC(NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)(C(=O)[O-])C1	REAL300012658383	0	47	-2.0	-126.79	395.31	4.02	-122.77
O=C([O-])C1CC(NC(=O)NCC2=NC(C3=CC=CC(F)=C3)=NO2)(C(=O)[O-])C1	REAL300012658809	0	40	-2.0	-113.56	362.74	4.78	-108.78
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(OCC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300012659124	0	49	-2.0	-123.01	418.42	9.43	-113.58
CCC(C)OC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=N1	REAL300012659405	0	47	-2.0	-120.38	396.99	5.53	-114.85
COC1=CC=C(C2(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)CCC2)C=C1	REAL300012659680	0	49	-2.0	-117.35	395.49	7.77	-109.58
O=C([O-])C1CC(NC(=O)NCCC2CCN(CC(F)(F)F)CC2)(C(=O)[O-])C1	REAL300012659890	0	49	-2.0	-120.74	401.37	5.90	-114.84
CSC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C(C)(C)C	REAL300012660323	0	44	-2.0	-119.41	355.64	7.15	-112.26
CC(C)(C)C1=NC=CC(CCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012660986	0	51	-2.0	-117.44	420.27	7.52	-109.92
CC(C)OC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=N1	REAL300012662131	0	44	-2.0	-120.32	376.22	4.72	-115.60
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=NC=CS1	REAL300012662530	0	37	-2.0	-118.66	330.54	4.66	-114.00
COC1=CC=C(CC(C)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300012662754	0	52	-2.0	-122.89	423.69	7.48	-115.41
O=C([O-])C1CC(NC(=O)NCC2=NC=CN2CCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012663377	0	48	-2.0	-122.46	407.72	9.17	-113.29
COC1=CC=C(N2CCC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2)C=C1	REAL300012663594	0	51	-2.0	-116.94	411.54	5.81	-111.13
COCCN1C=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012663969	0	42	-2.0	-121.38	365.17	3.86	-117.52
CC(C)(C)OC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012664736	0	47	-2.0	-118.92	388.19	6.40	-112.52
CN1C=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300012664943	0	37	-2.0	-132.47	325.43	3.42	-129.05
CN(C)C1=NC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012665218	0	41	-2.0	-122.24	353.61	6.57	-115.67
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CC(C)(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012668437	0	56	-2.0	-123.30	433.04	10.32	-112.98
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COC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC(C)C	REAL300012674837	0	44	-2.0	-121.59	356.76	4.89	-116.70
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COC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300012675523	0	39	-2.0	-114.70	320.22	3.90	-110.80
CC1(C)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1OCC1=CC=CC=C1	REAL300012675741	0	52	-2.0	-128.23	423.71	8.99	-119.24
CC(C)OC1CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1(C)C	REAL300012676024	0	48	-2.0	-114.85	384.15	6.52	-108.33
CC(C)(C)OC1CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012676291	0	45	-2.0	-120.60	362.91	5.59	-115.01
CC(C)(O)C(C)(C)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012676533	0	44	-2.0	-119.79	341.06	3.02	-116.77
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1(O)CCOCC1	REAL300012676840	0	49	-2.0	-118.86	366.58	2.78	-116.08
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CC1=CC=C(C2(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)CCCC2)C(C)=C1	REAL300012677790	0	54	-2.0	-121.84	413.08	10.21	-111.63
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CC1=NC=CN=C1CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012678429	0	39	-2.0	-125.12	335.62	3.74	-121.38
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CC(O)CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012678968	0	48	-2.0	-117.44	393.70	5.60	-111.84
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CC1(C2=CC=CC=C2)CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012680509	0	51	-2.0	-122.23	391.24	9.82	-112.41
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CC(C)CCCCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012683388	0	49	-2.0	-119.76	393.79	8.32	-111.44
COC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012683636	0	39	-2.0	-119.65	333.87	5.40	-114.25
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COC1=CC=CC=C1OCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012684550	0	43	-2.0	-121.63	364.57	5.58	-116.05
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CN(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CO1	REAL300012686264	0	43	-2.0	-117.90	353.99	3.92	-113.98
O=C([O-])C1CC(NC(=O)NCC2(N3CCOCC3)CCCCC2)(C(=O)[O-])C1	REAL300012686524	1	54	-2.0	-122.77	396.51	4.41	-118.36
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CN(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CS1	REAL300012687403	1	43	-2.0	-116.02	359.69	4.49	-111.53
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)N1CCOCC1	REAL300012687967	0	47	-2.0	-120.58	362.99	3.06	-117.52
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CC(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012688989	0	47	-2.0	-121.55	388.87	8.86	-112.69
CN(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300012690058	1	46	-2.0	-119.92	382.92	6.08	-113.84
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N(C)C)=C1	REAL300012690328	1	50	-2.0	-122.07	399.31	4.82	-117.25
CN(CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012691854	0	46	-2.0	-120.51	380.32	7.61	-112.90
CCN(CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(C)=C1	REAL300012692463	0	49	-2.0	-124.28	398.28	8.33	-115.95
CN(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300012693242	0	46	-2.0	-117.09	376.73	6.46	-110.63
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CC(C)(CO)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012694815	0	51	-2.0	-116.75	393.69	6.55	-110.20
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CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012695916	0	43	-2.0	-119.55	365.37	1.99	-117.56
CS(=O)(=O)N1CCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012696333	0	43	-2.0	-126.37	370.50	2.04	-124.33
COCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300012696942	0	46	-2.0	-123.32	359.96	4.51	-118.81
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COC1=CC=C2CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)COC2=C1	REAL300012697492	0	44	-2.0	-120.05	366.38	5.32	-114.73
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CN(C)S(=O)(=O)NCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012698083	0	41	-2.0	-125.27	360.49	-0.29	-125.56
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)OCCC2=C1C=CS2	REAL300012698375	0	43	-2.0	-122.11	363.19	5.99	-116.12
CC(CO)CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012698705	0	41	-2.0	-121.11	339.99	2.69	-118.42
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CCOCC(C)(C)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012702174	0	44	-2.0	-118.71	358.07	5.57	-113.14
COC1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300012702477	0	42	-2.0	-122.77	368.19	6.03	-116.74
CC1(C)CCC2=C(C1)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=NO2	REAL300012702774	0	47	-2.0	-117.63	379.58	7.06	-110.57
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CC(C)(C)CCOC1=CN=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012703424	0	53	-2.0	-118.15	427.60	7.05	-111.10
O=C([O-])C1CC(NC(=O)NC2CCOC(C3=CC=C(F)C=C3)C2)(C(=O)[O-])C1	REAL300012703669	0	46	-2.0	-114.09	381.17	7.64	-106.45
CCOC1CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1OC	REAL300012703938	0	43	-2.0	-115.19	359.95	3.67	-111.52
COC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCOC1	REAL300012704180	0	40	-2.0	-114.17	327.47	2.03	-112.14
O=C([O-])C1CC(NC(=O)NCC2CCCC(F)C2)(C(=O)[O-])C1	REAL300012704572	0	41	-2.0	-116.04	333.88	6.57	-109.47
CN(C)C1=NOC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012704815	0	38	-2.0	-113.28	333.56	3.86	-109.42
O=C([O-])C1CC(NC(=O)NCC2(CC3=CC=CC=C3)CCCCC2)(C(=O)[O-])C1	REAL300012705056	0	54	-2.0	-128.66	410.59	10.53	-118.13
O=C([O-])C1CC(NC(=O)NCC2=NC(COC3=CC=CC=C3)=NN2)(C(=O)[O-])C1	REAL300012705279	0	45	-2.0	-115.36	391.90	5.48	-109.88
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CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=NN1C	REAL300012705572	0	47	-2.0	-121.44	376.96	6.16	-115.28
COC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCCC1	REAL300012705835	0	45	-2.0	-120.30	351.52	5.57	-114.73
CC1(C2=CC=CC=C2)CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012706147	0	45	-2.0	-116.22	365.78	8.31	-107.91
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CN1C2=CC=C(Cl)C=C2N=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012706922	0	41	-2.0	-116.37	368.63	6.90	-109.47
CCOC1CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)(N2CCOCC2)C1	REAL300012707427	0	55	-2.0	-119.81	427.37	3.46	-116.35
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CC(C)CN1CCOC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012708026	1	50	-2.0	-120.83	389.23	3.40	-117.43
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CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012708647	0	43	-2.0	-116.72	357.94	6.49	-110.23
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2CN2CCOCC2)(C(=O)[O-])C1	REAL300012708881	0	51	-2.0	-118.30	409.49	5.53	-112.77
CCN1C2=CC=CC=C2N=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012709170	0	44	-2.0	-123.83	375.01	7.39	-116.44
CC1=CC=C(CCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300012709785	0	47	-2.0	-120.58	386.89	8.86	-111.72
O=C([O-])C1CC(NC(=O)NCC2COC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012711192	0	43	-2.0	-120.24	358.44	6.86	-113.38
COCCOCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012711438	0	42	-2.0	-121.60	357.89	3.21	-118.39
O=C([O-])C1CC(NC(=O)NCC2=CN3C=CSC3=N2)(C(=O)[O-])C1	REAL300012712636	0	35	-2.0	-123.12	322.55	5.76	-117.36
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300012713139	0	51	-2.0	-122.94	413.20	10.69	-112.25
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N2CCOCC2)O1	REAL300012713838	0	51	-2.0	-123.74	410.43	4.41	-119.33
O=C([O-])C1CC(NC(=O)NCCCCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012714102	0	44	-2.0	-121.65	371.64	8.49	-113.16
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COC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012714690	0	38	-2.0	-119.14	334.19	2.85	-116.29
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCOCC3)N=C2)(C(=O)[O-])C1	REAL300012714969	0	47	-2.0	-121.08	388.93	4.37	-116.71
CC1CN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC(C)O1	REAL300012715252	0	53	-2.0	-115.88	402.94	4.23	-111.65
COC1=CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2C=C1	REAL300012715533	0	45	-2.0	-116.53	380.89	7.61	-108.92
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CN1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=N2)CC1	REAL300012716851	1	51	-2.0	-120.63	414.14	4.24	-116.39
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CC1CN(CCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC(C)O1	REAL300012717789	1	50	-2.0	-120.31	394.89	4.19	-116.12
CS(=O)(=O)NC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCCC1	REAL300012718305	0	49	-2.0	-134.56	384.37	3.73	-130.83
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)N1CCOCC1	REAL300012718600	0	50	-2.0	-116.66	378.42	3.30	-113.36
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COC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=N1	REAL300012719413	0	38	-2.0	-119.98	334.24	2.86	-117.12
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CC(C)(C)OC1CC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012720412	0	51	-2.0	-116.06	405.63	7.00	-109.06
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CC(C)NS(=O)(=O)NCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012723329	0	44	-2.0	-125.34	383.33	-0.55	-125.89
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CC(C)(C)N1N=CN=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012725737	0	43	-2.0	-112.23	352.14	6.38	-105.85
CS(=O)(=O)C1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCC1	REAL300012726049	0	41	-2.0	-125.15	348.71	3.06	-122.09
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CCOC1=CC=C([C@@H]2C[C@H]2NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012728615	0	46	-2.0	-123.63	385.77	7.81	-115.82
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CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C(F)(F)F	REAL300012729332	0	37	-2.0	-119.18	319.57	5.63	-113.55
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CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1OC(F)F	REAL300012731300	0	45	-2.0	-125.96	384.26	8.04	-117.92
CCOC1=CC=CC=C1C(CC)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012731588	0	48	-2.0	-126.23	396.36	8.69	-117.54
COC1=CC=C2C(=C1)CCCC2NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012731995	0	46	-2.0	-122.10	366.25	6.65	-115.45
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CC2CCC1C2	REAL300012732234	0	45	-2.0	-124.10	350.14	7.56	-116.54
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C12CC3CC(CC(C3)C1)C2	REAL300012732536	0	52	-2.0	-122.80	379.78	8.96	-113.84
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(S(N)(=O)=O)=C1	REAL300012732785	0	43	-2.0	-128.91	378.92	1.93	-126.98
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=NN=C2C=CC=CN21	REAL300012733080	0	40	-2.0	-120.06	346.38	7.05	-113.01
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=NN=CN1C	REAL300012733464	0	37	-2.0	-121.91	322.16	5.86	-116.05
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300012733791	0	41	-2.0	-113.83	358.09	7.80	-106.03
CCOC1=CC=C(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OCC	REAL300012733992	0	52	-2.0	-122.80	427.09	8.02	-114.78
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CS1	REAL300012734976	0	38	-2.0	-120.21	329.76	6.37	-113.84
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300012735257	0	47	-2.0	-124.17	382.96	6.41	-117.76
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O=C([O-])C1CC(NC(=O)NC2CCC3=CC(Br)=CC=C32)(C(=O)[O-])C1	REAL300012736210	0	39	-2.0	-118.62	349.53	7.93	-110.69
CC1=CC=C2C(=C1)CCC2NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012736475	0	42	-2.0	-122.43	349.64	7.98	-114.45
C[C@@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300012736766	0	38	-2.0	-113.06	354.83	7.87	-105.19
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CCCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012797641	0	44	-2.0	-121.11	357.86	7.93	-113.18
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300012797952	0	45	-2.0	-116.38	366.29	6.46	-109.92
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CN=C1	REAL300012798161	0	37	-2.0	-120.87	319.55	5.19	-115.68
CCOC1=C2OC(C(C)NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC2=CC=C1	REAL300012798383	0	48	-2.0	-119.19	404.66	7.61	-111.58
O=C([O-])C1CC(NC(=O)NC2CCS(=O)(=O)C3=CC=CC=C32)(C(=O)[O-])C1	REAL300012798623	0	42	-2.0	-121.88	353.63	3.31	-118.57
CCOC1=CC=C(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012798917	0	45	-2.0	-116.25	374.26	7.11	-109.14
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=NN=C2CCCN21	REAL300012799201	0	41	-2.0	-120.11	345.95	6.23	-113.88
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012799449	0	41	-2.0	-120.26	336.36	7.18	-113.08
COC1=CC=C(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012799733	0	42	-2.0	-116.25	352.40	6.18	-110.07
CC1=CC=C(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300012800020	0	44	-2.0	-117.99	361.49	8.48	-109.51
CCOC1=CC=CC=C1C(C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012800331	0	45	-2.0	-127.18	373.46	7.35	-119.83
CCCOC1=CC=C(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012800634	0	48	-2.0	-115.98	395.76	7.91	-108.07
CC1=CC=C(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300012800911	0	44	-2.0	-121.80	363.10	8.19	-113.61
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(OC(F)F)=C1	REAL300012801205	0	42	-2.0	-117.87	362.19	6.47	-111.40
O=C([O-])C1CC(NC(=O)NC2CC3CCC(C2)S3)(C(=O)[O-])C1	REAL300012801755	0	40	-2.0	-115.02	313.56	8.06	-106.96
O=C([O-])C1CC(NC(=O)N[C@@H]2CCCC3=CC=CN=C32)(C(=O)[O-])C1	REAL300012802043	0	41	-2.0	-133.35	339.39	6.35	-127.00
O=C([O-])C1CC(NC(=O)N[C@H]2CCCC3=CC=CN=C32)(C(=O)[O-])C1	REAL300012802331	0	41	-2.0	-128.19	337.78	6.26	-121.93
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300012802847	0	48	-2.0	-123.04	400.54	7.93	-115.11
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C2N=C(C3CC3)NC2=C1	REAL300012802847	1	48	-2.0	-124.25	402.32	8.03	-116.22
CC1(C)C2CCC(C2)C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012803116	0	48	-2.0	-116.40	359.60	7.44	-108.96
O=C([O-])C1CC(NC(=O)NCCN2N=CC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012803428	0	41	-2.0	-126.92	356.97	6.35	-120.57
CC1=CC=C(F)C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012803674	0	38	-2.0	-117.69	332.52	6.75	-110.94
O=C([O-])C1CC(NC(=O)NCC2CCCC23CCOCC3)(C(=O)[O-])C1	REAL300012803981	0	49	-2.0	-123.65	373.46	5.99	-117.66
COC1=CC=C(C(C)(C)C)C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012804258	0	51	-2.0	-118.96	410.14	7.71	-111.25
O=C([O-])C1CC(NC(=O)N[C@@H]2CCC3=CC(F)=CC=C32)(C(=O)[O-])C1	REAL300012804530	0	39	-2.0	-119.48	332.32	7.20	-112.28
O=C([O-])C1CC(NC(=O)NCC2CCS(=O)(=O)N2)(C(=O)[O-])C1	REAL300012804817	0	37	-2.0	-127.99	323.48	-0.38	-128.37
COCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCO1	REAL300012805213	0	43	-2.0	-125.68	352.53	3.87	-121.81
O=C([O-])C1CC(NC(=O)NCC23CCC(C2)C(=O)N3)(C(=O)[O-])C1	REAL300012805457	0	40	-2.0	-116.42	333.09	2.62	-113.80
O=C([O-])C1CC(NC(=O)N[C@H]2CCC3=CC(F)=CC=C32)(C(=O)[O-])C1	REAL300012805741	0	39	-2.0	-120.63	333.50	7.30	-113.33
O=C([O-])C1CC(NC(=O)NCCOC2CCS(=O)(=O)CC2)(C(=O)[O-])C1	REAL300012806023	0	45	-2.0	-130.22	383.06	1.89	-128.33
CC1=CC=C(Br)C=C1CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012806229	0	41	-2.0	-115.83	363.60	7.92	-107.91
NC(=O)C1CC2(C1)CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CCS2	REAL300012806464	0	47	-2.0	-123.29	388.92	3.89	-119.40
CC1(C)COCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300012806732	0	43	-2.0	-115.90	349.01	3.61	-112.29
O=C([O-])C1CC(NC(=O)NCC2CC(=O)NC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012807041	0	43	-2.0	-124.84	361.32	5.23	-119.61
CN1C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCS1(=O)=O	REAL300012807345	0	40	-2.0	-129.40	340.36	1.68	-127.72
O=C([O-])C1CC(NC(=O)NCCCOC2CCC2)(C(=O)[O-])C1	REAL300012807575	0	42	-2.0	-114.39	349.70	5.25	-109.14
CC(C)C1=NOC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012808008	0	40	-2.0	-113.31	343.66	5.33	-107.98
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(OC(F)F)=C2)(C(=O)[O-])C1	REAL300012808317	0	39	-2.0	-121.36	346.41	5.73	-115.63
CC1(OCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCC1	REAL300012808579	0	45	-2.0	-116.87	360.00	5.57	-111.30
O=C([O-])C1CC(NC(=O)NCC2=NC=CC=C2Cl)(C(=O)[O-])C1	REAL300012808827	0	34	-2.0	-119.18	314.52	4.63	-114.55
O=C([O-])C1CC(NC(=O)NCCC2(O)CCCCC2)(C(=O)[O-])C1	REAL300012809093	0	45	-2.0	-120.45	354.29	4.09	-116.36
O=C([O-])C1CC(NC(=O)NC[C@@]2(O)C[C@H]3CC[C@@H]2C3)(C(=O)[O-])C1	REAL300012809341	0	43	-2.0	-116.13	337.86	3.36	-112.77
CCOC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012809651	0	45	-2.0	-117.22	378.29	7.07	-110.15
CC1=CC=C(Cl)C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012809935	0	38	-2.0	-114.01	339.30	7.37	-106.64
CN1N=NC(Br)=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012810220	0	34	-2.0	-116.92	323.70	2.98	-113.94
COCC1=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300012810472	0	37	-2.0	-117.23	330.66	0.60	-116.63
O=C([O-])C1CC(NC(=O)NCC2=CC3=NNC=C3C=C2)(C(=O)[O-])C1	REAL300012810760	0	38	-2.0	-127.69	333.40	4.86	-122.83
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(N2CCNC2=O)=C1	REAL300012811243	0	48	-2.0	-138.39	397.15	5.71	-132.68
O=C([O-])C1CC(NC(=O)NCC[C@@H]2C[C@H]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012811743	0	48	-2.0	-121.69	402.41	9.95	-111.74
O=C([O-])C1CC(NC(=O)NCC2OC(=O)CC23CCC3)(C(=O)[O-])C1	REAL300012812022	0	42	-2.0	-117.19	347.21	5.94	-111.25
O=C([O-])C1CC(NC(=O)NCC2=CC(F)=CC(Br)=C2)(C(=O)[O-])C1	REAL300012812264	0	35	-2.0	-116.83	334.86	6.84	-109.99
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC(F)F	REAL300012812492	0	38	-2.0	-119.44	320.10	3.77	-115.67
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCO1	REAL300012812756	0	45	-2.0	-124.42	354.27	5.55	-118.87
CC(=O)NCC1=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300012813055	0	41	-2.0	-120.83	372.53	2.09	-118.74
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1(C2=CC=C(Cl)C=C2)CCC1	REAL300012813267	0	48	-2.0	-125.91	389.33	9.73	-116.18
COC1=CC(OC)=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012813554	0	41	-2.0	-113.99	359.80	0.18	-113.81
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2C2CCC2)(C(=O)[O-])C1	REAL300012813880	0	45	-2.0	-117.62	366.93	8.60	-109.02
O=C([O-])C1CC(NC(=O)NCC2=CC=C(C3=CC=CO3)C=C2)(C(=O)[O-])C1	REAL300012814191	0	42	-2.0	-116.64	365.17	7.77	-108.87
COC1=CC(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300012814438	0	48	-2.0	-117.53	397.27	8.52	-109.01
CC1(C)CCCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300012814852	0	45	-2.0	-122.78	356.81	5.42	-117.36
O=C([O-])C1CC(NC(=O)NCC2=NC=C(Br)C=N2)(C(=O)[O-])C1	REAL300012815146	0	33	-2.0	-114.92	316.52	3.86	-111.06
CN1C=C(C2(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)CCCO2)C=N1	REAL300012815433	0	46	-2.0	-124.13	379.52	4.75	-119.38
O=C([O-])C1CC(NC(=O)NC[C@]23C[C@H]2COC32CCC2)(C(=O)[O-])C1	REAL300012815708	0	44	-2.0	-116.31	352.66	5.80	-110.51
O=C([O-])C1CC(NC(=O)N[C@@H]2CCC3=C2C=CC=C3[N+](=O)[O-])(C(=O)[O-])C1	REAL300012816016	0	41	-2.0	-113.57	351.02	7.70	-105.87
CC1(C)CC2(CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2)CO1	REAL300012816294	0	46	-2.0	-121.57	371.37	5.85	-115.72
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CO1	REAL300012816493	0	39	-2.0	-115.72	321.52	3.99	-111.73
O=C([O-])C1CC(NC(=O)NCCOC2CCSCC2)(C(=O)[O-])C1	REAL300012816890	0	43	-2.0	-121.04	364.24	5.55	-115.49
O=C([O-])C1CC(NC(=O)NCC2=CN=CC(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300012817198	0	37	-2.0	-112.29	339.17	5.24	-107.05
O=C([O-])C1CC(NC(=O)NCC2CCC3(CCCCCC3)O2)(C(=O)[O-])C1	REAL300012817487	0	52	-2.0	-117.71	393.78	7.35	-110.36
O=C([O-])C1CC(NC(=O)NCC2=CC=C(Br)C=C2F)(C(=O)[O-])C1	REAL300012817716	0	35	-2.0	-114.07	332.40	6.71	-107.36
O=C([O-])C1CC(NC(=O)NCCCOC2=CC=CC(F)=C2)(C(=O)[O-])C1	REAL300012818007	0	42	-2.0	-120.02	365.03	6.59	-113.43
O=C([O-])C1CC(NC(=O)NCC23CCC(CC2)CO3)(C(=O)[O-])C1	REAL300012818250	0	43	-2.0	-121.88	340.28	5.35	-116.53
O=C([O-])C1CC(NC(=O)NC[C@]2(C3=CC=CC=C3)C[C@@H](F)C2)(C(=O)[O-])C1	REAL300012818554	0	45	-2.0	-119.66	376.02	8.71	-110.95
O=C([O-])C1CC(NC(=O)NCC2=CC3=NON=C3C=C2)(C(=O)[O-])C1	REAL300012818831	0	36	-2.0	-117.42	322.34	4.91	-112.51
CC1=NC=CC=C1CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012819079	0	40	-2.0	-117.74	338.79	5.56	-112.18
O=C([O-])C1CC(NC(=O)NCC2=CC=CC3=C2OCCO3)(C(=O)[O-])C1	REAL300012819387	0	41	-2.0	-119.51	348.80	5.25	-114.26
CC(C)(C)OC(=O)N1CC(F)(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012819840	0	49	-2.0	-122.49	408.45	5.63	-116.86
COC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCCCC1	REAL300012820124	0	48	-2.0	-119.73	361.63	6.36	-113.37
O=C([O-])C1CC(NC(=O)NCC2=CN=C3COCCN23)(C(=O)[O-])C1	REAL300012820410	0	40	-2.0	-114.60	339.68	3.82	-110.78
C[C@@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC2=CC=CC=C21	REAL300012820893	0	44	-2.0	-124.70	365.93	9.18	-115.52
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CSC2=CC=CC=C12	REAL300012821197	0	41	-2.0	-117.26	358.55	8.29	-108.97
COC1=CC=C2C(=C1)CC(C)CC2NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012821474	0	49	-2.0	-126.72	388.64	7.37	-119.35
CC1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N2C=CC=CC2=N1	REAL300012821771	0	41	-2.0	-117.20	352.81	7.03	-110.17
CC1(C)CC2(CO1)CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC2	REAL300012822066	0	52	-2.0	-118.11	396.02	6.64	-111.47
O=C([O-])C1CC(NC(=O)NCCC2CCC(F)(F)C2)(C(=O)[O-])C1	REAL300012822340	0	41	-2.0	-114.63	344.29	6.61	-108.02
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2SC(F)(F)F)(C(=O)[O-])C1	REAL300012822573	0	39	-2.0	-116.14	359.28	7.39	-108.75
CN(C1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1)S(C)(=O)=O	REAL300012822774	0	46	-2.0	-131.01	402.36	4.23	-126.78
O=C([O-])C1CC(NC(=O)NC2CC3=CC=C(Cl)C=C3C2)(C(=O)[O-])C1	REAL300012823062	0	39	-2.0	-120.40	346.51	7.99	-112.41
CN1N=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300012823363	0	38	-2.0	-119.54	345.55	4.62	-114.92
CC(C)(C)C1=COC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012823792	0	43	-2.0	-115.98	362.98	3.43	-112.55
COC1=NN(C)C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012824040	0	39	-2.0	-121.21	341.15	1.79	-119.42
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CN(CC2CCC2)N=C1	REAL300012824344	0	48	-2.0	-122.86	398.24	7.65	-115.21
O=C([O-])C1CC(NC(=O)NCC2CCC=CCCC2)(C(=O)[O-])C1	REAL300012824581	0	45	-2.0	-120.40	348.33	7.41	-112.99
O=C([O-])C1CC(NC(=O)NCC2(C3CCCO3)CCC2)(C(=O)[O-])C1	REAL300012824864	0	46	-2.0	-124.07	361.63	6.28	-117.79
NS(=O)(=O)C1=CC=C(CCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012825085	0	46	-2.0	-126.85	404.33	2.68	-124.17
O=C([O-])C1CC(NC(=O)NCCC2CCC(F)(F)CC2)(C(=O)[O-])C1	REAL300012825373	0	44	-2.0	-115.75	358.83	7.14	-108.61
O=C([O-])C1CC(NC(=O)N[C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])(C(=O)[O-])C1	REAL300012825927	0	41	-2.0	-113.60	352.19	7.79	-105.81
CC(CC1=CC=CN=C1)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012826167	0	40	-2.0	-120.49	340.21	6.05	-114.44
CN1N=NN=C1CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012826412	0	39	-2.0	-119.36	338.58	3.61	-115.75
CC1=CC2=C(SC=C2CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300012826835	0	41	-2.0	-122.56	378.13	8.17	-114.39
O=C([O-])C1CC(NC(=O)NCC2=C(Cl)C=CS2)(C(=O)[O-])C1	REAL300012827232	0	32	-2.0	-120.20	312.77	5.67	-114.53
O=C([O-])C1CC(NC(=O)NCC23CC(CO2)CCC3)(C(=O)[O-])C1	REAL300012827480	0	43	-2.0	-122.61	337.37	5.19	-117.42
CC1(OCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300012827793	0	46	-2.0	-121.43	367.88	3.93	-117.50
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300012828080	0	42	-2.0	-124.32	354.52	4.71	-119.61
O=C([O-])C1CC(NC(=O)NCC2(C3CCOCC3)CC2)(C(=O)[O-])C1	REAL300012828366	0	46	-2.0	-123.61	363.61	6.26	-117.35
O=C([O-])C1CC(NC(=O)NC2COC3=C(F)C=C(F)C=C3C2)(C(=O)[O-])C1	REAL300012828665	0	40	-2.0	-117.89	349.46	6.16	-111.73
COC(=O)C1=C2COCCN2C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012828877	0	47	-2.0	-120.63	400.92	5.52	-115.11
CCC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C(C)C	REAL300012829053	0	43	-2.0	-120.69	333.87	7.14	-113.55
NS(=O)(=O)C1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=CS1	REAL300012829322	0	37	-2.0	-129.47	347.98	0.10	-129.37
COCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300012829617	0	42	-2.0	-118.28	362.12	6.28	-112.00
O=C([O-])C1CC(NC(=O)NCCC2=NC(CC3=CC=CC=C3)=NO2)(C(=O)[O-])C1	REAL300012829854	0	46	-2.0	-119.28	399.90	6.06	-113.22
CC1=CC=C2NC=C(CCNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300012830433	0	45	-2.0	-120.66	380.21	7.57	-113.09
O=C([O-])C1CC(NC(=O)NC[C@@H]2CC[C@H](C3CC3)O2)(C(=O)[O-])C1	REAL300012830675	0	43	-2.0	-118.02	353.31	5.81	-112.21
COC1=CC(C#N)=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012830986	0	40	-2.0	-117.25	354.67	5.79	-111.46
COC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300012831436	0	42	-2.0	-115.35	355.00	6.11	-109.24
COC1=CC=CC2=C1C(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC(C)C2	REAL300012831721	0	49	-2.0	-124.13	393.51	8.04	-116.09
O=C([O-])C1CC(NC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)(C(=O)[O-])C1	REAL300012832006	0	44	-2.0	-120.06	351.48	6.95	-113.11
CC1CC2=CC(CCNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2O1	REAL300012832410	0	46	-2.0	-118.23	383.82	7.42	-110.81
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1(C2=CC=CC=C2)CCC1	REAL300012832711	0	48	-2.0	-121.99	380.77	9.06	-112.93
CCN1CCC2=CC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C21	REAL300012833013	0	47	-2.0	-120.44	384.05	6.65	-113.79
O=C([O-])C1CC(NC(=O)NCC2(C3=CCOCC3)CC2)(C(=O)[O-])C1	REAL300012833292	0	44	-2.0	-120.49	364.53	6.08	-114.41
O=C([O-])C1CC(NC(=O)NC[C@@H]2OCO[C@H]2C(=O)NC2CC2)(C(=O)[O-])C1	REAL300012833590	0	45	-2.0	-119.92	381.72	2.71	-117.21
COCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCCO1	REAL300012833891	0	46	-2.0	-117.46	361.85	4.86	-112.60
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CS(=O)(=O)C1	REAL300012834178	0	38	-2.0	-127.20	334.61	1.93	-125.27
O=C([O-])C1CC(NC(=O)NCC2=CC=C3COCCC3=C2)(C(=O)[O-])C1	REAL300012834490	0	43	-2.0	-120.93	360.86	6.24	-114.69
CC1=CC=CN=C1C(C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012834786	0	40	-2.0	-117.86	337.18	5.65	-112.21
CCC(C)(CC)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012834982	0	43	-2.0	-120.65	333.07	6.33	-114.32
NC(=O)C1CC2CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2C1	REAL300012835252	0	43	-2.0	-137.54	352.52	2.94	-134.60
O=C([O-])C1CC(NC(=O)NCC2CCC(F)(F)CO2)(C(=O)[O-])C1	REAL300012835539	0	39	-2.0	-117.84	332.77	4.32	-113.52
O=C([O-])C1CC(NC(=O)NCCN2C=C3C=CC=CC3=N2)(C(=O)[O-])C1	REAL300012835851	0	41	-2.0	-126.98	354.74	6.29	-120.69
CN1C(=O)OC2=CC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C21	REAL300012836158	0	41	-2.0	-124.39	361.30	6.11	-118.28
O=C([O-])C1CC(NC(=O)NCCCC(=O)OCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012836703	0	47	-2.0	-122.34	405.97	8.69	-113.65
O=C([O-])C1CC(NC(=O)NCC2CC3C=CC2C3)(C(=O)[O-])C1	REAL300012836907	0	40	-2.0	-120.80	326.21	6.72	-114.08
O=C([O-])C1CC(NC(=O)NC2COC3=CC(F)=CC=C32)(C(=O)[O-])C1	REAL300012837182	0	37	-2.0	-110.91	325.74	5.30	-105.61
O=C([O-])C1CC(NC(=O)NC2CCCC3=CN=CC=C32)(C(=O)[O-])C1	REAL300012837470	0	41	-2.0	-120.90	333.82	5.66	-115.24
O=C([O-])C1CC(NC(=O)NCC2CCC3(COC3)O2)(C(=O)[O-])C1	REAL300012837737	0	41	-2.0	-119.63	341.17	2.95	-116.68
O=C([O-])C1CC(NC(=O)NC[C@@H]2C[C@H]2C2=CC=CO2)(C(=O)[O-])C1	REAL300012837985	0	39	-2.0	-115.88	338.94	6.45	-109.43
O=C([O-])C1CC(NC(=O)NCC2=CON=C2C2CC2)(C(=O)[O-])C1	REAL300012838392	0	38	-2.0	-113.23	333.45	5.65	-107.58
CS(=O)(=O)C1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=CS1	REAL300012838674	0	38	-2.0	-125.76	351.48	3.43	-122.33
CC(C)(CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C(F)(F)F	REAL300012838945	0	40	-2.0	-117.65	338.91	5.84	-111.81
O=C([O-])C1CC(NC(=O)NCCC2=NN(C3=CC=CC=C3)N=C2)(C(=O)[O-])C1	REAL300012839539	0	44	-2.0	-125.14	381.35	6.60	-118.54
O=C([O-])C1CC(NC(=O)NCC2=CC(C(F)F)=NO2)(C(=O)[O-])C1	REAL300012839980	0	34	-2.0	-118.27	316.50	4.59	-113.68
O=C([O-])C1CC(NC(=O)NCCC2CCC(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012840222	0	54	-2.0	-121.81	426.67	10.54	-111.27
COC1=CC=C([C@@H](C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(OC)=C1	REAL300012840503	0	46	-2.0	-125.70	381.02	5.70	-120.00
O=C([O-])C1CC(NC(=O)N[C@H]2C[C@@H]2C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012840739	0	39	-2.0	-117.34	332.73	7.49	-109.85
O=C([O-])C1CC(NC(=O)NCC2=CC=CC3=C2CCC3)(C(=O)[O-])C1	REAL300012841023	0	42	-2.0	-122.22	351.03	8.00	-114.22
O=C([O-])C1CC(NC(=O)NCC2=NN(CC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300012841627	0	38	-2.0	-123.43	347.46	5.10	-118.33
O=C([O-])C1CC(NC(=O)NCC2=NC=CC=C2Br)(C(=O)[O-])C1	REAL300012841936	0	34	-2.0	-118.76	318.55	4.71	-114.05
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(OC(F)(F)F)=C2)(C(=O)[O-])C1	REAL300012842450	0	39	-2.0	-113.49	351.43	5.86	-107.63
CC1(C)CN(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300012842669	0	51	-2.0	-118.70	396.89	5.55	-113.15
O=C([O-])C1CC(NC(=O)NCC2CC2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012842961	0	45	-2.0	-116.24	377.37	8.99	-107.25
O=C([O-])C1CC(NC(=O)NCC2OCC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012843247	0	40	-2.0	-123.36	342.23	5.56	-117.80
O=C([O-])C1CC(NC(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012843494	0	39	-2.0	-116.76	333.04	7.47	-109.29
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CCOCC1	REAL300012843776	0	46	-2.0	-122.59	362.90	5.81	-116.78
CC1(C)NC(=O)N(CCCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1=O	REAL300012844383	0	46	-2.0	-121.72	390.35	3.15	-118.57
CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300012844618	0	38	-2.0	-116.47	339.04	6.73	-109.74
CC1=CC=C(Br)C=C1C(C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012844838	0	41	-2.0	-120.65	359.93	8.11	-112.54
CN1N=CC=C1[C@@H]1OCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012845400	0	46	-2.0	-123.50	377.89	4.87	-118.63
O=C([O-])C1CC(NC(=O)NCC2=NN(C3=C(F)C=CC=C3F)C=C2)(C(=O)[O-])C1	REAL300012845614	0	42	-2.0	-128.82	373.46	7.41	-121.41
CC1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=CS1	REAL300012845812	0	35	-2.0	-119.07	316.76	5.86	-113.21
CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012846088	0	41	-2.0	-119.20	356.04	3.78	-115.42
CC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=NC=C1Br	REAL300012846340	0	37	-2.0	-119.62	341.61	5.52	-114.10
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2C2CC2)(C(=O)[O-])C1	REAL300012846611	0	42	-2.0	-122.79	352.18	8.28	-114.51
CSC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300012846925	0	36	-2.0	-113.41	338.95	6.38	-107.03
O=C([O-])C1CC(NC(=O)NCC2=CON=C2C(F)(F)F)(C(=O)[O-])C1	REAL300012847548	0	34	-2.0	-116.43	318.71	4.58	-111.85
O=C([O-])C1CC(NC(=O)NCC2=CC(C(F)(F)F)=NO2)(C(=O)[O-])C1	REAL300012848025	0	34	-2.0	-110.22	321.42	4.58	-105.64
C[C@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300012848270	0	38	-2.0	-120.00	330.74	7.07	-112.93
O=C([O-])C1CC(NC(=O)NCCCC2=CSC=C2)(C(=O)[O-])C1	REAL300012848515	0	38	-2.0	-119.81	340.13	6.64	-113.17
COC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCCOC1	REAL300012848828	0	46	-2.0	-117.02	367.84	3.87	-113.15
O=C([O-])C1CC(NC(=O)NCC(CC2=CC=CC=C2)C2=CC=CC=N2)(C(=O)[O-])C1	REAL300012849053	0	50	-2.0	-115.29	416.30	9.19	-106.10
O=C([O-])C1CC(NC(=O)NCC2CCN(C3=CC=C(F)C=C3F)C2)(C(=O)[O-])C1	REAL300012849255	0	47	-2.0	-125.06	392.54	6.55	-118.51
CS(=O)(=O)C1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=N1	REAL300012849530	0	40	-2.0	-120.87	362.09	1.70	-119.17
O=C([O-])C1CC(NC(=O)NC[C@H]2CCCN2C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012849826	0	47	-2.0	-117.95	377.51	6.85	-111.10
COC1CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012850018	0	39	-2.0	-117.63	326.96	4.06	-113.57
O=C([O-])C1CC(NC(=O)NCC2=CC(F)=C(F)C(F)=C2)(C(=O)[O-])C1	REAL300012850314	0	35	-2.0	-110.78	324.44	6.25	-104.53
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1(O)CCCCC1	REAL300012850781	0	51	-2.0	-124.70	376.34	5.30	-119.40
COCC(CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C(C)C	REAL300012851215	0	47	-2.0	-121.59	370.34	5.71	-115.88
O=C([O-])C1CC(NC(=O)NCC2CCCSCC2)(C(=O)[O-])C1	REAL300012851500	0	42	-2.0	-114.36	339.05	6.77	-107.59
O=C([O-])C1CC(NC(=O)NC2CC(COCC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012851785	0	49	-2.0	-119.70	408.56	8.22	-111.48
CSC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300012852037	0	36	-2.0	-113.75	330.42	5.39	-108.36
COC1=CC=C([C@H](C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012852487	0	42	-2.0	-122.28	353.83	6.31	-115.97
CC(C)C1=CC=CC(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012852799	0	47	-2.0	-121.48	384.90	8.91	-112.57
CC(F)(F)C1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300012853238	0	45	-2.0	-118.97	352.37	5.38	-113.59
COC1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300012853522	0	44	-2.0	-130.85	373.19	5.97	-124.88
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC(OC)=CC(OC)=C1	REAL300012853774	0	49	-2.0	-123.80	397.45	5.86	-117.94
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CN(C)C2=CC(Cl)=CC=C12	REAL300012853991	0	45	-2.0	-124.33	395.60	9.28	-115.05
O=C([O-])C1CC(NC(=O)NCC2=CN3C=C(Cl)C=CC3=N2)(C(=O)[O-])C1	REAL300012854271	0	38	-2.0	-119.79	348.87	7.05	-112.74
O=C([O-])C1CC(NC(=O)NCCC2=CNC3=CC=C(O)C=C23)(C(=O)[O-])C1	REAL300012854569	0	43	-2.0	-121.70	369.97	4.03	-117.67
CC1=CC=C([N+](=O)[O-])C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012854873	0	40	-2.0	-116.08	350.79	7.52	-108.56
CC1=CC(C)=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012855301	0	39	-2.0	-125.16	340.59	4.57	-120.59
O=C([O-])C1CC(NC(=O)NCCOC2=CC(F)=CC(F)=C2)(C(=O)[O-])C1	REAL300012855610	0	39	-2.0	-119.45	349.87	5.91	-113.54
CC(C)OC(C)(C)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012856117	0	44	-2.0	-120.90	354.37	5.18	-115.72
CC1(C)CC(=O)OC1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012856379	0	41	-2.0	-126.32	340.29	5.39	-120.93
O=C([O-])C1CC(NC(=O)NCC2CC2C2CCCC2)(C(=O)[O-])C1	REAL300012856626	0	45	-2.0	-114.84	363.63	7.92	-106.92
CC1CCCN(C(=O)CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012856931	0	48	-2.0	-125.58	385.18	5.93	-119.65
COC1=CC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(OC)=C1	REAL300012857467	0	46	-2.0	-125.25	387.65	5.54	-119.71
CC1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N2CCCCC2=N1	REAL300012857767	0	45	-2.0	-121.37	369.28	6.79	-114.58
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC(C)=CC(C)=C1	REAL300012858241	0	47	-2.0	-121.58	381.28	8.59	-112.99
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CC(C)(O)CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012858760	0	41	-2.0	-120.50	338.61	2.69	-117.81
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CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=NC=CC(C(F)(F)F)=N1	REAL300012869150	0	39	-2.0	-119.77	354.53	5.09	-114.68
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COCC1(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCC1	REAL300012876412	0	48	-2.0	-121.05	379.71	6.01	-115.04
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CC1(C)SCCC1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012877894	0	42	-2.0	-114.71	344.37	6.49	-108.22
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CC1=CC=C(C)C2=C1OCC[C@@H]2NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012880967	0	46	-2.0	-122.01	370.35	8.26	-113.75
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CC1=CC=C(C)C2=C1OCC[C@H]2NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012882027	0	46	-2.0	-115.80	368.81	8.18	-107.62
COC1=CC=C2CC=C(CCNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300012882310	0	47	-2.0	-127.18	395.87	8.05	-119.13
O=C([O-])C1CC(NC(=O)NCC2=CC=NC=C2Cl)(C(=O)[O-])C1	REAL300012882545	0	34	-2.0	-113.80	315.17	4.72	-109.08
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CC(C)(C)C1=NOC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012883041	0	43	-2.0	-118.09	364.38	6.20	-111.89
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(F)=C1	REAL300012883288	0	38	-2.0	-118.44	332.42	6.76	-111.68
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C[C@@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CSC2=CC=CC=C12	REAL300012883804	0	41	-2.0	-122.44	360.18	8.41	-114.03
COC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300012884048	0	43	-2.0	-118.94	385.85	5.99	-112.95
CC(C)COC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012884336	0	48	-2.0	-114.76	398.39	7.79	-106.97
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C[C@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CSC2=CC=CC=C12	REAL300012884919	0	41	-2.0	-117.11	359.17	8.32	-108.79
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CCCCOC1=CC=C(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012885650	0	51	-2.0	-115.82	417.25	8.69	-107.13
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CC1(C)[C@@H]2C[C@H](NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C[C@@H]21	REAL300012887986	0	42	-2.0	-122.70	336.34	6.97	-115.73
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1(O)CCC1	REAL300012888242	0	45	-2.0	-124.95	352.14	3.79	-121.16
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CC1(C)C2CCC1(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC2	REAL300012889132	0	48	-2.0	-121.61	366.40	7.61	-114.00
CC1=CC=CC(C)=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012889380	0	41	-2.0	-120.75	341.76	7.20	-113.55
COC1=CC=C2C(CCNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CNC2=C1	REAL300012889668	0	46	-2.0	-120.46	388.27	6.19	-114.27
O=C([O-])C1CC(NC(=O)NCC2CC3(C2)CCOCC3)(C(=O)[O-])C1	REAL300012889973	0	46	-2.0	-115.25	365.28	5.67	-109.58
O=C([O-])C1CC(NC(=O)NCC2CCC3(CCCOC3)O2)(C(=O)[O-])C1	REAL300012890288	0	47	-2.0	-121.85	375.89	4.52	-117.33
O=C([O-])C1CC(NC(=O)NC[C@@H]2COCCO2)(C(=O)[O-])C1	REAL300012890495	0	37	-2.0	-115.67	311.57	2.28	-113.39
CC1(C)[C@@H]2C[C@H]1[C@H](CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC2	REAL300012890791	0	51	-2.0	-120.87	386.31	8.31	-112.56
O=C([O-])C1CC(NC(=O)NCC2CC(=O)N(C3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012891078	0	46	-2.0	-123.73	383.77	7.23	-116.50
COCC1(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300012891377	0	49	-2.0	-115.98	379.66	3.94	-112.04
CN1C=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C(F)F)=N1	REAL300012891684	0	38	-2.0	-121.73	341.81	4.66	-117.07
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CN(C2CC2)N=C1	REAL300012891970	0	42	-2.0	-122.75	358.53	6.23	-116.52
COCC1=NOC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012892218	0	38	-2.0	-114.66	335.60	3.09	-111.57
O=C([O-])C1CC(NC(=O)NCC2=CC=C3CCOCC3=C2)(C(=O)[O-])C1	REAL300012892529	0	43	-2.0	-120.90	360.87	6.24	-114.66
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1C1=CC=CC=C1	REAL300012892862	0	51	-2.0	-127.95	418.37	11.66	-116.29
O=C([O-])C1CC(NC(=O)NCCNC(=O)CC2=CC=C(F)C=C2)(C(=O)[O-])C1	REAL300012893104	0	45	-2.0	-123.14	394.76	5.36	-117.78
O=C([O-])C1CC(NC(=O)NCC(=O)N2CC=CC2)(C(=O)[O-])C1	REAL300012893305	0	37	-2.0	-115.29	320.53	3.81	-111.48
O=C([O-])C1CC(NC(=O)NCCC(C(F)F)N2CCOCC2)(C(=O)[O-])C1	REAL300012893575	0	47	-2.0	-117.65	374.96	3.15	-114.50
CN1N=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C2C1=O	REAL300012893851	0	43	-2.0	-116.27	370.07	5.52	-110.75
CC1(C)CCOC1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012894223	0	42	-2.0	-123.17	338.03	4.32	-118.85
C=CCCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300012894526	0	49	-2.0	-121.98	378.68	6.47	-115.51
CC(C)[C@@H]1C[C@H](CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300012894819	0	51	-2.0	-122.43	400.06	10.07	-112.36
CC1=CC(Cl)=CN2C=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)N=C12	REAL300012895071	0	41	-2.0	-123.84	371.94	7.77	-116.07
O=C([O-])C1CC(NC(=O)NC2=CN(C3CC3(F)F)N=C2)(C(=O)[O-])C1	REAL300012895369	0	36	-2.0	-117.61	321.64	5.18	-112.43
O=C([O-])C1CC(NC(=O)NCC2CC3CCCC(C2)C3)(C(=O)[O-])C1	REAL300012895655	0	48	-2.0	-120.57	363.50	7.97	-112.60
O=C([O-])C1CC(NC(=O)NCC2C3CC4CC(C3)CC2C4)(C(=O)[O-])C1	REAL300012895966	0	49	-2.0	-122.28	363.29	8.03	-114.25
CC(C)NC(=O)CN1C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012896264	0	45	-2.0	-135.31	382.64	3.82	-131.49
CN1N=CC=C1CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012896506	0	41	-2.0	-116.47	348.69	5.16	-111.31
CC1CCC2=C(C1)SC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300012896847	0	44	-2.0	-122.15	376.14	6.53	-115.62
O=C([O-])C1CC(NC(=O)NCC2=CC=C3OCCCC3=C2)(C(=O)[O-])C1	REAL300012897146	0	43	-2.0	-120.82	360.85	6.78	-114.04
COC1(C(F)(F)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCCC1	REAL300012897555	0	48	-2.0	-113.70	376.62	6.10	-107.60
O=C([O-])C1CC(NC(=O)NC2CCCC3(CC2)OCCO3)(C(=O)[O-])C1	REAL300012897855	0	47	-2.0	-123.94	362.60	5.36	-118.58
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(C(F)F)=C2)(C(=O)[O-])C1	REAL300012898154	0	38	-2.0	-124.07	341.31	7.09	-116.98
O=C([O-])C1CC(NC(=O)NC[C@H]2COCCO2)(C(=O)[O-])C1	REAL300012898365	0	37	-2.0	-120.51	312.66	2.45	-118.06
CC(C)CCOCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012898634	0	47	-2.0	-119.24	384.82	6.04	-113.20
CCC1CCCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012898882	0	47	-2.0	-117.41	359.56	7.45	-109.96
O=C([O-])C1CC(NC(=O)NC2CCC3OCCC3C2)(C(=O)[O-])C1	REAL300012899129	0	43	-2.0	-116.36	338.64	5.30	-111.06
CC1(C)CC(=O)NC1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012899376	0	42	-2.0	-124.09	345.22	2.79	-121.30
CC1(C)SCCC1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012899660	0	42	-2.0	-114.71	344.37	6.49	-108.22
O=C([O-])C1CC(NC(=O)NCC23CC(CCC2)C(=O)N3)(C(=O)[O-])C1	REAL300012900099	0	43	-2.0	-116.79	343.88	3.37	-113.42
CC(C)(C)O[C@@H]1C[C@H](CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1(C)C	REAL300012900493	0	54	-2.0	-117.66	419.61	7.30	-110.36
CC(C)(O)C1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012900959	0	45	-2.0	-121.40	374.25	4.95	-116.45
O=C([O-])C1CC(NC(=O)NCC2=NOC(C3=CC=C(Cl)C=C3)=C2)(C(=O)[O-])C1	REAL300012901190	0	41	-2.0	-119.94	378.48	7.77	-112.17
CC1OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2C1C	REAL300012901478	0	46	-2.0	-120.47	380.54	7.26	-113.21
O=C([O-])C1CC(NC(=O)N[C@H]2C[C@H]3CCCC[C@H]3C2)(C(=O)[O-])C1	REAL300012901917	0	45	-2.0	-117.86	349.79	7.58	-110.28
CC(C)CNC(=O)CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012902179	0	44	-2.0	-130.42	368.71	3.79	-126.63
O=C([O-])C1CC(NC(=O)NCC2CC3(CC3(F)F)C2)(C(=O)[O-])C1	REAL300012902466	0	39	-2.0	-115.04	339.72	6.69	-108.35
O=C([O-])C1CC(NC(=O)NCC2CCCC3=CC=CN=C32)(C(=O)[O-])C1	REAL300012902778	0	44	-2.0	-127.61	359.19	7.82	-119.79
CC1=COC(C)=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012902994	0	38	-2.0	-120.63	328.73	5.50	-115.13
O=C([O-])C1CC(NC(=O)NCCCC(=O)NC2CCC2)(C(=O)[O-])C1	REAL300012903450	0	45	-2.0	-123.73	376.72	4.50	-119.23
O=C([O-])C1CC(NC(=O)NCC2=CC=C(C3=CSC=C3)N=C2)(C(=O)[O-])C1	REAL300012903741	0	41	-2.0	-120.62	370.08	6.93	-113.69
O=C([O-])C1CC(NC(=O)NCC2=CN=C3SC=CN23)(C(=O)[O-])C1	REAL300012904014	0	35	-2.0	-115.35	322.82	5.72	-109.63
O=C([O-])C1CC(NC(=O)NCC23CC(C2)CCO3)(C(=O)[O-])C1	REAL300012904521	0	40	-2.0	-122.36	326.03	4.58	-117.78
CC(F)(F)C1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012904826	0	41	-2.0	-116.16	358.64	7.59	-108.57
O=C([O-])C1CC(NC(=O)NCCN2N=CC=CC2=O)(C(=O)[O-])C1	REAL300012905069	0	37	-2.0	-126.08	325.87	3.48	-122.60
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300012905314	0	41	-2.0	-120.75	345.57	7.36	-113.39
CC1(C)OC2(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)CC1C2	REAL300012905559	0	43	-2.0	-117.21	347.34	5.02	-112.19
CCC(NC(=O)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012905875	0	48	-2.0	-119.45	397.44	6.12	-113.33
CC1(C)C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCS1(=O)=O	REAL300012906168	0	44	-2.0	-119.69	363.33	2.99	-116.70
O=C([O-])C1CC(NC(=O)NCCN2C=C(C3CCOC3)C=N2)(C(=O)[O-])C1	REAL300012906460	0	46	-2.0	-121.91	384.92	4.74	-117.17
COC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Cl	REAL300012906764	0	39	-2.0	-118.18	352.68	6.00	-112.18
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300012906985	0	46	-2.0	-119.61	394.67	-0.78	-120.39
O=C([O-])C1CC(NC(=O)NCC[C@H]2C[C@H](F)C2)(C(=O)[O-])C1	REAL300012907342	0	38	-2.0	-117.19	321.52	6.00	-111.19
O=C([O-])C1CC(NC(=O)NC[C@]23CCC[C@H]2CCO3)(C(=O)[O-])C1	REAL300012907574	0	43	-2.0	-123.08	343.73	5.42	-117.66
CC1=CC2=CC=CC=C2N1CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012907908	0	48	-2.0	-116.22	400.29	9.28	-106.94
O=C([O-])C1CC(NC(=O)NCCC2=NC=CC(C(F)(F)F)=N2)(C(=O)[O-])C1	REAL300012908180	0	39	-2.0	-120.92	356.86	5.04	-115.88
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC1CC1	REAL300012908735	0	44	-2.0	-114.70	350.12	7.36	-107.34
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2C2OCCO2)(C(=O)[O-])C1	REAL300012909030	0	44	-2.0	-124.61	368.51	6.14	-118.47
O=C([O-])C1CC(NC(=O)NCC2C3CCCCC23)(C(=O)[O-])C1	REAL300012909237	0	42	-2.0	-114.86	337.48	7.05	-107.81
CC1=CC=NC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012909474	0	39	-2.0	-121.57	338.58	4.64	-116.93
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(C3OCCO3)=C2)(C(=O)[O-])C1	REAL300012909776	0	44	-2.0	-122.02	374.46	5.80	-116.22
O=C([O-])C1CC(NC(=O)NCC2=CN(C3COC3)N=N2)(C(=O)[O-])C1	REAL300012910052	0	39	-2.0	-117.98	338.23	1.65	-116.33
COC1(C(F)(F)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCOCC1	REAL300012910317	0	46	-2.0	-118.97	370.21	3.79	-115.18
O=C([O-])C1CC(NC(=O)NCCN2C=C(C3=COC=C3)C=N2)(C(=O)[O-])C1	REAL300012910609	0	42	-2.0	-124.42	370.66	5.77	-118.65
COC(OC)C1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012911176	0	46	-2.0	-121.59	386.37	5.87	-115.72
O=C([O-])C1CC(NC(=O)NC2CCC3(CCC3)CC2)(C(=O)[O-])C1	REAL300012911412	0	45	-2.0	-117.31	351.44	7.38	-109.93
O=C([O-])C1CC(NC(=O)NCC2=CC=C(C3=NNC=N3)C=C2)(C(=O)[O-])C1	REAL300012911721	0	41	-2.0	-125.65	362.30	7.04	-118.61
CC(C)(C)OC1CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1(C)C	REAL300012912014	0	54	-2.0	-120.96	420.43	7.46	-113.50
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCOC1	REAL300012912385	0	42	-2.0	-114.36	331.35	4.73	-109.63
O=C([O-])C1CC(NC(=O)NCCC2CCOC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012912686	0	46	-2.0	-115.84	373.82	7.14	-108.70
O=C([O-])C1CC(NC(=O)NCCCOCC(F)F)(C(=O)[O-])C1	REAL300012912925	0	38	-2.0	-122.87	337.28	4.26	-118.61
CN1N=C(C(F)(F)F)C(Cl)=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012913143	0	38	-2.0	-109.69	361.68	5.02	-104.67
CC1(C)C[C@H](NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC(F)=CC=C2O1	REAL300012913384	0	46	-2.0	-129.55	372.39	6.82	-122.73
CN1C2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CS1(=O)=O	REAL300012913593	0	44	-2.0	-123.73	368.41	3.32	-120.41
CN1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C(=O)N2)C1	REAL300012913852	1	47	-2.0	-126.21	382.50	2.29	-123.92
CC1(C)OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2O1	REAL300012914142	0	44	-2.0	-121.44	375.34	6.44	-115.00
O=C([O-])C1CC(NC(=O)NCC2CC(F)(F)CO2)(C(=O)[O-])C1	REAL300012914380	0	36	-2.0	-116.57	315.21	3.56	-113.01
O=C([O-])C1CC(NC(=O)NC2CC3CCCCCC3C2)(C(=O)[O-])C1	REAL300012914663	0	48	-2.0	-117.04	366.43	8.09	-108.95
CCN1CC(C)(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1=O	REAL300012915074	0	42	-2.0	-121.28	353.11	4.62	-116.66
COC1=CC=C(C(CF)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012915383	0	42	-2.0	-125.33	357.74	6.26	-119.07
O=C([O-])C1CC(NC(=O)NC(CF)C2=CC=C(Cl)C=C2)(C(=O)[O-])C1	REAL300012915690	0	38	-2.0	-122.98	344.98	7.48	-115.50
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CC1=CC([C@@H](C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Br	REAL300012916118	0	41	-2.0	-114.00	362.46	8.08	-105.92
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CC1=C(Cl)C=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012916973	0	38	-2.0	-114.20	336.62	7.30	-106.90
CC1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=NN1CC(C)C	REAL300012917571	0	47	-2.0	-115.89	382.14	6.23	-109.66
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CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=NC2=C(CCCCC2)S1	REAL300012918144	0	47	-2.0	-117.44	390.44	7.15	-110.29
CCC1(C)CCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300012918395	0	45	-2.0	-117.75	361.06	5.45	-112.30
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CN(C2CC2)C1=O	REAL300012918681	0	43	-2.0	-122.20	360.72	5.23	-116.97
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O=C([O-])C1CC(NC(=O)NC2CC3CCCC(C3)C2)(C(=O)[O-])C1	REAL300012920106	0	45	-2.0	-124.94	344.35	7.21	-117.73
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CC(CCC1=CC=NC=C1)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012920671	0	43	-2.0	-122.46	364.78	6.93	-115.53
CC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1O	REAL300012921250	0	39	-2.0	-120.57	338.24	4.05	-116.52
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C[C@@H]1CCO[C@@H]1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012921669	0	39	-2.0	-117.65	316.82	3.70	-113.95
O=C([O-])C1CC(NC(=O)NCCC2=CNC3=CC=C([N+](=O)[O-])C=C23)(C(=O)[O-])C1	REAL300012921887	0	44	-2.0	-126.14	386.94	7.56	-118.58
CN1CC(C)(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1=O	REAL300012922088	0	39	-2.0	-121.94	331.15	3.44	-118.50
O=C([O-])C1CC(NC(=O)NC2CCC(N3CCCC3=O)CC2)(C(=O)[O-])C1	REAL300012922378	0	49	-2.0	-135.15	377.54	6.53	-128.62
O=C([O-])C1CC(NC(=O)NC2CCC3(CC2)COCCO3)(C(=O)[O-])C1	REAL300012922682	0	47	-2.0	-124.97	363.47	5.34	-119.63
CC1(C)C[C@@H](NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC(F)=CC=C2O1	REAL300012922943	0	46	-2.0	-122.70	373.33	6.79	-115.91
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC(C)=CC(OC)=C1	REAL300012923232	0	48	-2.0	-122.27	389.40	7.22	-115.05
COCC1=NOC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012923623	0	38	-2.0	-118.54	336.65	3.45	-115.09
N#CC1(C2=CC=CC=C2)CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012923937	0	43	-2.0	-126.47	369.38	8.09	-118.38
O=C([O-])C1CC(NC(=O)NC2=CN(CC3=CC=C(F)C=C3)N=C2)(C(=O)[O-])C1	REAL300012924218	0	42	-2.0	-123.34	369.42	7.51	-115.83
O=C([O-])C1CC(NC(=O)NC2CC3CC2CC3(F)F)(C(=O)[O-])C1	REAL300012924491	0	39	-2.0	-117.27	323.75	6.31	-110.96
CC(C)N1C=CC(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012924777	0	44	-2.0	-119.39	368.03	6.02	-113.37
O=C([O-])C1CC(NC(=O)NC2COC3CCCCC23)(C(=O)[O-])C1	REAL300012925025	0	43	-2.0	-113.88	338.84	5.34	-108.54
CC(C)[C@H]1CC[C@H](NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012925490	0	47	-2.0	-123.01	364.79	7.56	-115.45
C=CCOC(=O)N1CCCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012925783	0	47	-2.0	-129.03	390.38	5.89	-123.14
O=C([O-])C1CC(NC(=O)NC2=CN(C3CCNC3=O)N=C2)(C(=O)[O-])C1	REAL300012926081	0	40	-2.0	-130.56	344.54	2.04	-128.52
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=NN(C)C=C1	REAL300012926443	0	41	-2.0	-117.80	340.56	4.70	-113.10
COC1=CN=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012926687	0	38	-2.0	-117.04	329.03	3.60	-113.44
N#CC1=CC=C(C(CF)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012926995	0	39	-2.0	-125.52	349.12	7.35	-118.17
CC(C)N1CC(C)(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1=O	REAL300012927415	0	45	-2.0	-123.67	373.56	5.24	-118.43
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CC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Cl	REAL300012927914	0	38	-2.0	-112.71	340.89	7.17	-105.54
CC1(C)CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC(C)(C)O1	REAL300012928229	0	51	-2.0	-119.90	394.86	6.87	-113.03
O=C([O-])C1CC(NC(=O)NCC2CC3(CC3)CO2)(C(=O)[O-])C1	REAL300012928446	0	40	-2.0	-116.51	334.80	4.68	-111.83
O=C([O-])C1CC(NC(=O)NCC2=CC(Cl)=CC=C2Cl)(C(=O)[O-])C1	REAL300012928745	0	35	-2.0	-119.54	338.38	7.07	-112.47
CC1(C)CCOC1CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012929005	0	45	-2.0	-118.58	357.60	5.07	-113.51
O=C([O-])C1CC(NC(=O)NCC2(C3=CC=CC=C3)CC2(F)F)(C(=O)[O-])C1	REAL300012929301	0	42	-2.0	-123.11	360.05	8.03	-115.08
COC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300012929849	0	48	-2.0	-119.11	397.75	8.31	-110.80
O=C([O-])C1CC(NC(=O)NCC2CC(C3=CC=C(Cl)C=C3)C2)(C(=O)[O-])C1	REAL300012930097	0	45	-2.0	-115.91	386.13	9.06	-106.85
C#CC(CC1CCOC1)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012930497	0	41	-2.0	-118.98	347.78	5.42	-113.56
CC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=NN1C	REAL300012930711	0	38	-2.0	-124.94	329.17	4.33	-120.61
CC1(C)CC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(=O)N1	REAL300012931114	0	45	-2.0	-129.25	363.12	3.37	-125.88
CC1CCC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012931335	0	44	-2.0	-114.92	351.79	7.06	-107.86
O=C([O-])C1CC(NC(=O)NCC2CCC3C(C2)C3(F)F)(C(=O)[O-])C1	REAL300012931637	0	42	-2.0	-116.81	344.47	7.23	-109.58
O=C([O-])C1CC(NC(=O)NCCCC(F)(F)C(F)(F)F)(C(=O)[O-])C1	REAL300012931944	0	37	-2.0	-118.58	340.88	5.96	-112.62
CC(F)(F)C1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012932251	0	41	-2.0	-125.11	347.60	7.94	-117.17
C[C@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=C(F)C=C(F)C=C1F	REAL300012932556	0	38	-2.0	-121.25	339.21	7.21	-114.04
C[C@@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=C(F)C=C(F)C=C1F	REAL300012932858	0	38	-2.0	-115.39	337.88	7.11	-108.28
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CCCCC1(O)CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012933548	0	51	-2.0	-121.67	392.33	6.04	-115.63
O=C([O-])C1CC(NC(=O)NCC2=CSC=C2Br)(C(=O)[O-])C1	REAL300012933829	0	32	-2.0	-115.58	315.03	5.54	-110.04
CC(C)C1=CC=C2OCC[C@@H](NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300012934099	0	49	-2.0	-115.64	395.28	8.18	-107.46
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)NC(=O)NC1=O	REAL300012934351	0	37	-2.0	-116.61	322.87	-0.72	-117.33
CC(C)C1=CC=C2OCC[C@H](NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300012934636	0	49	-2.0	-116.54	395.30	8.18	-108.36
CC1=NC(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)=NO1	REAL300012934912	0	43	-2.0	-118.30	377.73	5.39	-112.91
COC[C@H](CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC	REAL300012935110	0	39	-2.0	-114.36	329.75	2.34	-112.02
O=C([O-])C1CC(NC(=O)NCC2CCOCC23CCCC3)(C(=O)[O-])C1	REAL300012935408	0	49	-2.0	-122.00	372.94	6.20	-115.80
O=C([O-])C1CC(NC(=O)NCC2CC3C(C2)C3(F)F)(C(=O)[O-])C1	REAL300012935691	0	39	-2.0	-114.63	330.15	6.53	-108.10
COC1=CC2=C(C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OCO2	REAL300012936139	0	42	-2.0	-118.03	359.91	4.05	-113.98
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCS(=O)(=O)CC1	REAL300012936436	0	44	-2.0	-127.29	356.13	3.11	-124.18
O=C([O-])C1CC(NC(=O)NCC2CCC(C(F)F)CC2)(C(=O)[O-])C1	REAL300012936740	0	44	-2.0	-115.81	359.45	7.30	-108.51
O=C([O-])C1CC(NC(=O)NCCOC2CCS(=O)(=O)C2)(C(=O)[O-])C1	REAL300012937044	0	42	-2.0	-128.11	366.99	1.27	-126.84
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300012937281	0	38	-2.0	-121.15	331.09	7.05	-114.10
CC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CN(C2CCC2)C1=O	REAL300012937718	0	46	-2.0	-122.23	378.01	5.80	-116.43
C=CCC(C)(C)CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012937935	0	44	-2.0	-120.49	353.12	6.69	-113.80
C[C@@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(C(C)(C)C)C=C1	REAL300012938233	0	50	-2.0	-121.64	400.49	9.33	-112.31
CCCC1=NC=CN1CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012938537	0	47	-2.0	-120.82	393.36	7.67	-113.15
O=C([O-])C1CC(NC(=O)NCCNC(=O)C2CCC2)(C(=O)[O-])C1	REAL300012938781	0	42	-2.0	-121.40	355.07	3.58	-117.82
C[C@@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=COC2=C(F)C=CC=C12	REAL300012939085	0	41	-2.0	-117.10	357.48	7.36	-109.74
C[C@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=COC2=C(F)C=CC=C12	REAL300012939380	0	41	-2.0	-123.21	358.63	7.48	-115.73
CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300012939618	0	41	-2.0	-115.74	340.27	7.43	-108.31
COC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300012940075	0	45	-2.0	-117.71	376.62	7.52	-110.19
O=C([O-])C1CC(NC(=O)N[C@@H]2C[C@H]3OC(=O)C[C@@H]23)(C(=O)[O-])C1	REAL300012940283	0	36	-2.0	-124.53	309.16	4.90	-119.63
O=C([O-])C1CC(NC(=O)NCCCN2CCCNC2=O)(C(=O)[O-])C1	REAL300012940576	0	44	-2.0	-128.08	365.31	3.52	-124.56
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C#CCN1C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012941275	0	34	-2.0	-123.31	308.86	4.93	-118.38
O=C([O-])C1CC(NC(=O)NC2CCCC3=NC=CC=C32)(C(=O)[O-])C1	REAL300012941551	0	41	-2.0	-118.35	333.89	5.65	-112.70
O=C([O-])C1CC(NC(=O)NCCN(CC(F)(F)F)C2CC2)(C(=O)[O-])C1	REAL300012941851	0	43	-2.0	-117.44	361.67	4.59	-112.85
O=C([O-])C1CC(NC(=O)NCC(C2=CSC=C2)N2CCCC2)(C(=O)[O-])C1	REAL300012942231	1	47	-2.0	-121.43	393.98	5.97	-115.46
CC(F)(F)C(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300012942514	0	44	-2.0	-124.70	370.13	8.45	-116.25
CC1=NN(C2=CC=CC=C2)N=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012942795	0	44	-2.0	-124.00	381.73	6.49	-117.51
O=C([O-])C1CC(NC(=O)NCC2C(F)(F)C23CCOCC3)(C(=O)[O-])C1	REAL300012943090	0	43	-2.0	-115.72	359.32	5.28	-110.44
CCC1=CC=CN=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012943330	0	40	-2.0	-124.79	336.55	6.16	-118.63
C[C@@H]1CCO[C@@H]1CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012943558	0	42	-2.0	-118.68	337.67	4.56	-114.12
O=C([O-])C1CC(NC(=O)NC2=CN(C3CCCCC3)N=C2)(C(=O)[O-])C1	REAL300012943862	0	45	-2.0	-120.33	363.44	6.81	-113.52
CC1(C)CCC2(CCC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)O2)CC1	REAL300012944120	0	55	-2.0	-118.13	417.90	7.69	-110.44
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O=C([O-])C1CC(NC(=O)NCC2CCCCC23CCC3)(C(=O)[O-])C1	REAL300012944591	0	48	-2.0	-122.04	362.46	7.85	-114.19
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CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OCC(F)(F)F	REAL300012945215	0	41	-2.0	-122.54	353.45	4.92	-117.62
CS(=O)(=O)[C@H]1CC[C@@H](NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012945519	0	44	-2.0	-130.28	364.55	3.59	-126.69
CC(C)(C)C1=NOC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012945797	0	43	-2.0	-112.90	351.98	6.48	-106.42
O=C([O-])C1CC(NC(=O)NCC2=CC=C(Cl)C(F)=C2)(C(=O)[O-])C1	REAL300012946111	0	35	-2.0	-117.22	329.74	6.72	-110.50
CC(C)CC(=O)N1CCCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012946405	0	51	-2.0	-124.25	401.63	6.71	-117.54
CS(=O)(=O)N1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C2	REAL300012946634	0	47	-2.0	-125.51	375.20	4.38	-121.13
COC1=CC(C)=NC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012946927	0	43	-2.0	-125.26	372.63	3.19	-122.07
CC1=CC(C)=C([C@@H](C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300012947235	0	47	-2.0	-121.79	372.56	9.09	-112.70
O=C([O-])C1CC(NC(=O)NCCC2=CC=NC=C2Br)(C(=O)[O-])C1	REAL300012947486	0	37	-2.0	-117.21	338.49	5.53	-111.68
CN1C=C(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)C=N1	REAL300012947763	0	45	-2.0	-124.68	387.27	7.45	-117.23
CCC1=CSC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012947998	0	37	-2.0	-115.44	332.90	4.57	-110.87
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CC1=CN=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012948736	0	36	-2.0	-122.17	318.60	3.04	-119.13
O=C([O-])C1CC(NC(=O)NCCCOC2=CC=CC=N2)(C(=O)[O-])C1	REAL300012949011	0	41	-2.0	-119.05	354.39	3.87	-115.18
COC1(OC)CC(C)(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012949325	0	46	-2.0	-120.66	370.31	4.95	-115.71
COC1(OC)CCCC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012949638	0	52	-2.0	-116.37	401.06	5.94	-110.43
CC1(C)OCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CO1	REAL300012949910	0	43	-2.0	-113.78	345.08	3.99	-109.79
COCCOC1=CC=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012950210	0	45	-2.0	-121.32	385.37	3.71	-117.61
CCOP(=O)(CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OCC	REAL300012950464	0	48	-2.0	-127.54	411.46	5.99	-121.55
CCO[P@](C)(=O)CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012950759	0	44	-2.0	-121.24	382.07	4.88	-116.36
CCO[P@@](C)(=O)CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012950759	1	44	-2.0	-126.33	383.78	4.97	-121.36
N#CC12CC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)(C1)OC2	REAL300012951268	0	38	-2.0	-121.68	333.02	4.14	-117.54
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NC(=O)OCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012952304	0	36	-2.0	-124.79	318.81	-0.05	-124.84
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CN(C)C(=O)CCCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012953011	0	47	-2.0	-125.77	389.12	5.76	-120.01
CC1=NC2=CC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2N1	REAL300012953323	0	41	-2.0	-126.28	354.82	5.64	-120.64
CC1=NC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2N1	REAL300012953323	1	41	-2.0	-123.43	354.84	5.65	-117.78
O=C([O-])C1CC(NC(=O)NCC2CCC3C(CC2)C3(F)F)(C(=O)[O-])C1	REAL300012953631	0	45	-2.0	-121.40	362.64	7.88	-113.52
CN1N=C(C2=CC=CC=C2)C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012953918	0	45	-2.0	-114.38	385.51	7.18	-107.20
CC1=CN=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1C	REAL300012954192	0	42	-2.0	-121.86	356.60	5.19	-116.67
O=C([O-])C1CC(NC(=O)NCC2CN(C3=CC=CC=C3)C(=O)O2)(C(=O)[O-])C1	REAL300012954477	0	44	-2.0	-124.35	373.67	6.20	-118.15
O=C([O-])C1CC(NC(=O)NCCCCC2=CNN=C2C(F)(F)F)(C(=O)[O-])C1	REAL300012954695	0	44	-2.0	-127.46	385.79	5.71	-121.75
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C[C@@H]1[C@@H](CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1(F)F	REAL300012955186	0	35	-2.0	-122.07	310.07	5.49	-116.58
O=C([O-])C1CC(NC(=O)NCCCC2=CNN=C2C(F)(F)F)(C(=O)[O-])C1	REAL300012955456	0	41	-2.0	-120.51	362.61	4.85	-115.66
O=C([O-])C1CC(NC(=O)NCCC2CC3(CCC3)C2)(C(=O)[O-])C1	REAL300012955688	0	45	-2.0	-115.26	364.13	7.76	-107.50
C[C@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300012955944	0	38	-2.0	-119.68	345.63	7.64	-112.04
O=C([O-])C1CC(NC(=O)NCC2=NNC(=O)C3=CC=CC=C32)(C(=O)[O-])C1	REAL300012956236	0	40	-2.0	-115.55	348.62	3.92	-111.63
O=C([O-])C1CC(NC(=O)NCCCC2=CNN=C2C(F)(F)F)(C(=O)[O-])C1	REAL300012956511	0	41	-2.0	-120.51	362.61	4.85	-115.66
COC1=CC=C([C@@H](C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300012956796	0	46	-2.0	-117.74	381.67	6.09	-111.65
O=C([O-])C1CC(NC(=O)NCCC2=CC=CN=C2Cl)(C(=O)[O-])C1	REAL300012957071	0	37	-2.0	-120.72	334.64	5.37	-115.35
CC1=NC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N1C	REAL300012957288	0	38	-2.0	-115.71	326.99	5.04	-110.67
O=C([O-])C1CC(NC(=O)NCCOC2=CNN=C2C(F)(F)F)(C(=O)[O-])C1	REAL300012957542	0	39	-2.0	-127.42	358.77	3.25	-124.17
O=C([O-])C1CC(NC(=O)NCC2=CSC(Cl)=C2)(C(=O)[O-])C1	REAL300012957814	0	32	-2.0	-112.62	312.45	5.61	-107.01
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC(F)=C(F)C(F)=C1	REAL300012958123	0	38	-2.0	-111.81	341.96	7.08	-104.73
O=C([O-])C1CC(NC(=O)NCCCN2C=NC3=C2CCCC3)(C(=O)[O-])C1	REAL300012958421	0	48	-2.0	-116.67	391.80	8.71	-107.96
O=C([O-])C1CC(NC(=O)NCCC2=CC=CC(Cl)=C2F)(C(=O)[O-])C1	REAL300012958723	0	38	-2.0	-125.15	350.29	7.48	-117.67
O=C([O-])C1CC(NC(=O)NCC2=CC=C(F)C(Br)=C2)(C(=O)[O-])C1	REAL300012958959	0	35	-2.0	-117.15	334.16	6.81	-110.34
COC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CC(F)(F)C1	REAL300012959251	0	42	-2.0	-122.06	356.75	5.04	-117.02
CC1=NN=C([C@H]2C[C@@H](NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2)O1	REAL300012959535	0	40	-2.0	-125.44	346.38	1.25	-124.19
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CC(C)(C)C1=CN=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012960079	0	46	-2.0	-119.23	378.55	6.65	-112.58
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CC1(C)COCCC1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012962364	0	45	-2.0	-121.42	349.59	4.96	-116.46
COC[C@@H](CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC	REAL300012962781	0	39	-2.0	-119.24	332.60	2.32	-116.92
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CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300012963247	0	40	-2.0	-122.57	344.70	5.74	-116.83
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O=C([O-])C1CC(NC(=O)NCC2CCCC23CCC3)(C(=O)[O-])C1	REAL300012963886	0	45	-2.0	-121.80	354.26	7.47	-114.33
O=C([O-])C1CC(NC(=O)NCC2CC3(C2)CCOC3)(C(=O)[O-])C1	REAL300012964131	0	43	-2.0	-115.70	348.97	4.93	-110.77
O=C([O-])C1CC(NC(=O)NCCOC2CCS(=O)(=O)C2)(C(=O)[O-])C1	REAL300012964435	0	42	-2.0	-128.11	366.99	1.27	-126.84
CC(C)(C)OC1CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012964728	0	48	-2.0	-120.95	385.57	6.35	-114.60
C[C@@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300012964975	0	38	-2.0	-121.72	330.72	7.07	-114.65
CC1=CC=CC(N2CCCC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2)=C1	REAL300012965263	0	50	-2.0	-118.05	397.50	7.31	-110.74
O=C([O-])C1CC(NC(=O)NCC2=CC=C3CCCCC3=C2)(C(=O)[O-])C1	REAL300012965562	0	45	-2.0	-120.53	369.84	8.65	-111.88
CC1(C)CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012965809	0	47	-2.0	-115.44	354.23	7.07	-108.37
C[C@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300012966055	0	38	-2.0	-116.28	329.37	6.96	-109.32
O=C([O-])C1CC(NC(=O)NCC2=CON=C2C2CCC2)(C(=O)[O-])C1	REAL300012966506	0	41	-2.0	-113.46	350.14	6.13	-107.33
C[C@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC2=CN=CC=C21	REAL300012966872	0	43	-2.0	-125.84	361.06	7.40	-118.44
O=C([O-])C1CC(NC(=O)NCCC2C3CC4CC(C3)CC2C4)(C(=O)[O-])C1	REAL300012967173	0	52	-2.0	-115.78	381.66	8.50	-107.28
O=C([O-])C1CC(NC(=O)NC2CCCCCCCCC2)(C(=O)[O-])C1	REAL300012967449	0	50	-2.0	-118.61	371.73	8.30	-110.31
CC1(C)CCCOC1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012967716	0	45	-2.0	-122.76	351.66	5.08	-117.68
CCCCC1CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012968063	0	47	-2.0	-116.07	372.46	7.97	-108.10
O=C([O-])C1CC(NC(=O)NCC2=C(C3CC3)OC=N2)(C(=O)[O-])C1	REAL300012968470	0	38	-2.0	-123.31	335.27	3.09	-120.22
CC(C)CC1CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012968714	0	47	-2.0	-116.10	369.60	7.76	-108.34
O=C([O-])C1CC(NC(=O)NCC=C2CCSCC2)(C(=O)[O-])C1	REAL300012969143	0	40	-2.0	-120.00	339.86	6.69	-113.31
O=C([O-])C1CC(NC(=O)NCCCCC(F)(F)F)(C(=O)[O-])C1	REAL300012969391	0	37	-2.0	-121.80	329.87	5.85	-115.95
CC(C)CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300012969675	0	53	-2.0	-122.94	422.04	10.21	-112.73
O=C([O-])C1CC(NC(=O)NCC2CC(C3CC3)C2)(C(=O)[O-])C1	REAL300012969988	0	42	-2.0	-115.00	346.93	7.31	-107.69
CCC1=NOC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012970198	0	36	-2.0	-111.27	318.49	2.28	-108.99
COCC1=NOC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012970491	0	40	-2.0	-121.03	352.16	1.42	-119.61
CSCC1=NOC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012970805	0	37	-2.0	-113.02	341.72	2.73	-110.29
CCC1=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300012971026	0	36	-2.0	-116.41	318.48	2.31	-114.10
CC12CCC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)(CC1)OC2	REAL300012971302	0	46	-2.0	-121.54	360.59	5.86	-115.68
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)SCC1=CC=CC=C1	REAL300012971602	0	45	-2.0	-122.82	390.33	9.01	-113.81
CC1(C)CC(C)(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012971812	0	44	-2.0	-121.08	347.30	6.83	-114.25
O=C([O-])C1CC(NC(=O)NCCOC2=C(F)C=CC=C2Cl)(C(=O)[O-])C1	REAL300012972093	0	39	-2.0	-120.28	361.52	6.45	-113.83
COC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCOC1	REAL300012972322	0	40	-2.0	-114.17	327.47	2.03	-112.14
O=C([O-])C1CC(NC(=O)NCCC2=NC(C3CC3)=NO2)(C(=O)[O-])C1	REAL300012972603	0	40	-2.0	-119.10	349.89	3.96	-115.14
CC(C)(C)C1=NOC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012972889	0	42	-2.0	-111.63	358.73	3.29	-108.34
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(C3=CSC=C3)=C2)(C(=O)[O-])C1	REAL300012973180	0	42	-2.0	-116.99	371.00	8.49	-108.50
COC(C1CC1)C(F)(F)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012973478	0	42	-2.0	-118.13	358.30	5.53	-112.60
CC(C)=C(Br)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012973787	0	35	-2.0	-119.00	317.40	5.65	-113.35
CCC1=NOC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012974034	0	39	-2.0	-118.46	339.98	3.06	-115.40
O=C([O-])C1CC(NC(=O)NCC2=CC(C3=CC=C(Cl)C=C3)=NO2)(C(=O)[O-])C1	REAL300012974266	0	41	-2.0	-117.88	378.49	7.85	-110.03
O=C([O-])C1CC(NC(=O)NCCC2=CC=C3CCOCC3=C2)(C(=O)[O-])C1	REAL300012974554	0	46	-2.0	-118.24	380.64	6.93	-111.31
O=C([O-])C1CC(NC(=O)NCC2=CC(C(F)(F)F)=CC=N2)(C(=O)[O-])C1	REAL300012974855	0	37	-2.0	-115.95	339.45	5.21	-110.74
O=C([O-])C1CC(NC(=O)NCC2=CC=C(C3CC3)C=C2)(C(=O)[O-])C1	REAL300012975136	0	42	-2.0	-120.05	356.37	8.26	-111.79
O=C([O-])C1CC(NC(=O)NCC2=NN=NN2C2=CC=C(F)C=C2)(C(=O)[O-])C1	REAL300012975418	0	40	-2.0	-115.63	357.24	6.10	-109.53
O=C([O-])C1CC(NC(=O)NCC=CBr)(C(=O)[O-])C1	REAL300012975651	0	29	-2.0	-117.26	281.52	4.41	-112.85
O=C([O-])C1CC(NC(=O)NCC2=CC(C(F)(F)F)=CO2)(C(=O)[O-])C1	REAL300012975959	0	35	-2.0	-112.72	327.00	5.26	-107.46
CC1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300012976262	0	38	-2.0	-123.61	347.84	5.90	-117.71
O=C([O-])C1CC(NC(=O)NCC2=CC(C3=CC=CC=C3)=NS2)(C(=O)[O-])C1	REAL300012976543	0	41	-2.0	-113.49	367.94	7.43	-106.06
O=C([O-])C1CC(NC(=O)NCC23COC(C2)CCC3)(C(=O)[O-])C1	REAL300012976778	0	43	-2.0	-120.00	337.43	5.12	-114.88
O=C([O-])C1CC(NC(=O)NCC2CC(C(F)F)C2)(C(=O)[O-])C1	REAL300012977025	0	38	-2.0	-114.87	327.39	6.01	-108.86
CC1(C)CCCOC1CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012977550	0	48	-2.0	-117.38	370.88	5.78	-111.60
CC12CCC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)(CO1)C2	REAL300012977905	0	43	-2.0	-114.13	347.19	4.94	-109.19
O=C([O-])C1CC(NC(=O)NCC23CCC(C(F)(F)F)(CC2)CC3)(C(=O)[O-])C1	REAL300012978137	0	48	-2.0	-119.31	381.57	8.31	-111.00
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC(F)=CC(F)=C1	REAL300012978432	0	41	-2.0	-114.96	355.34	7.56	-107.40
COCC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300012978676	0	38	-2.0	-116.44	336.02	3.25	-113.19
CS(=O)(=O)NCC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012978896	0	46	-2.0	-128.38	405.37	2.87	-125.51
CCCCC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300012979180	0	50	-2.0	-116.06	412.82	9.85	-106.21
O=C([O-])C1CC(NC(=O)NCC2C[C@@H]3CCCC[C@H]3O2)(C(=O)[O-])C1	REAL300012979458	0	46	-2.0	-123.53	365.54	5.92	-117.61
CC(F)(F)C1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300012979706	0	38	-2.0	-117.93	326.11	6.06	-111.87
O=C([O-])C1CC(NC(=O)NCC(F)C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012979950	0	38	-2.0	-121.97	333.39	6.98	-114.99
O=C([O-])C1CC(NC(=O)NCC2CC(C(F)(F)F)C2)(C(=O)[O-])C1	REAL300012980233	0	38	-2.0	-120.16	332.51	6.16	-114.00
CCS(=O)(=O)N(C)CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012980544	0	42	-2.0	-122.52	364.55	2.04	-120.48
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(F)F)C=C1	REAL300012980794	0	45	-2.0	-124.70	380.12	7.17	-117.53
O=C([O-])C1CC(NC(=O)N[C@H]2CCOC3=CC=C(O)C=C32)(C(=O)[O-])C1	REAL300012981088	0	41	-2.0	-121.60	338.73	2.64	-118.96
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(C3=NNC=N3)=C2)(C(=O)[O-])C1	REAL300012981398	0	41	-2.0	-123.30	360.58	6.93	-116.37
C[C@@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC2=CN=CC=C21	REAL300012981707	0	43	-2.0	-119.49	359.69	7.29	-112.20
O=C([O-])C1CC(NC(=O)NCC2CCC3(CC3(F)F)CC2)(C(=O)[O-])C1	REAL300012982012	0	45	-2.0	-114.83	370.95	7.96	-106.87
O=C([O-])C1CC(NC(=O)NCCC2=CNC3=CC(F)=CC(F)=C23)(C(=O)[O-])C1	REAL300012982270	0	42	-2.0	-128.11	372.69	7.10	-121.01
O=C([O-])C1CC(NC(=O)NC(CC2=CC=CC=C2)C2=CC=CO2)(C(=O)[O-])C1	REAL300012982567	0	45	-2.0	-118.13	385.82	8.95	-109.18
CN1N=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C(F)(F)F	REAL300012982859	0	37	-2.0	-121.79	336.31	3.34	-118.45
O=C([O-])C1CC(NC(=O)NC2C3CC4CC2CC(O)(C4)C3)(C(=O)[O-])C1	REAL300012983451	0	47	-2.0	-119.05	355.04	4.53	-114.52
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CN=C2CCCCN12	REAL300012983939	0	45	-2.0	-118.44	362.02	6.83	-111.61
COC1=NSC(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300012984240	0	38	-2.0	-112.80	341.64	2.78	-110.02
O=C([O-])C1CC(NC(=O)N[C@@H]2CCOC3=CC=C(O)C=C32)(C(=O)[O-])C1	REAL300012984551	0	41	-2.0	-122.38	340.80	2.73	-119.65
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012984809	0	43	-2.0	-124.11	378.02	7.46	-116.65
CC1=NN(C2=CC=CC=C2)N=C1C(C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012985312	0	47	-2.0	-117.47	400.15	7.13	-110.34
O=C([O-])C1CC(NC(=O)NC2=CN(C3CCC(=O)NC3)N=C2)(C(=O)[O-])C1	REAL300012985600	0	43	-2.0	-122.46	359.74	2.82	-119.64
O=C([O-])C1CC(NC(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)(C(=O)[O-])C1	REAL300012985872	0	45	-2.0	-115.02	371.37	8.00	-107.02
O=C([O-])C1CC(NC(=O)NCCC2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012986166	0	48	-2.0	-117.83	386.25	9.14	-108.69
CC1=CC=C(C2CCC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)CC2)C=C1	REAL300012986450	0	51	-2.0	-124.85	407.80	9.97	-114.88
O=C([O-])C1CC(NC(=O)NC2CCC3C2C3(F)F)(C(=O)[O-])C1	REAL300012986684	0	36	-2.0	-117.72	311.35	5.97	-111.75
O=C([O-])C1CC(NC(=O)NC(CF)C2=CC=CC(Cl)=C2)(C(=O)[O-])C1	REAL300012986992	0	38	-2.0	-119.65	343.29	7.38	-112.27
O=C([O-])C1CC(NC(=O)NC2CCC3(CC3(F)F)C2)(C(=O)[O-])C1	REAL300012987274	0	39	-2.0	-115.36	334.42	6.70	-108.66
O=C([O-])C1CC(NC(=O)NCC2CCCC(F)(F)CC2)(C(=O)[O-])C1	REAL300012987586	0	44	-2.0	-114.81	351.32	7.10	-107.71
O=C([O-])C1CC(NC(=O)NC2CCCC3C2C3(F)F)(C(=O)[O-])C1	REAL300012987873	0	39	-2.0	-116.25	324.59	6.42	-109.83
CC1(C)CC2(CC2NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300012988090	0	42	-2.0	-122.91	346.40	7.09	-115.82
CC(C)(C)C1=CC=CN=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012988390	0	46	-2.0	-119.32	361.94	6.80	-112.52
O=C([O-])C1CC(NC(=O)NC[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)(C(=O)[O-])C1	REAL300012988636	0	41	-2.0	-123.57	336.31	5.27	-118.30
CN1N=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300012988918	0	35	-2.0	-115.48	324.20	4.09	-111.39
O=C([O-])C1CC(NC(=O)NCC2CC3(CC3F)C2)(C(=O)[O-])C1	REAL300012989149	0	39	-2.0	-121.14	334.64	6.69	-114.45
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC(C)(C)O1	REAL300012989445	0	48	-2.0	-122.27	374.93	6.13	-116.14
COC1=CC(C(F)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Cl	REAL300012989687	0	42	-2.0	-115.14	377.22	6.74	-108.40
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C[C@@H](O)C1=NNC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300012990451	0	38	-2.0	-115.54	334.31	0.14	-115.40
C[C@@H](O)C1=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=NN1	REAL300012990451	1	38	-2.0	-123.16	335.87	0.26	-122.90
CC1=CC=C(C(F)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300012990762	0	44	-2.0	-122.31	371.80	8.19	-114.12
COC1=CC(F)=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300012991057	0	43	-2.0	-116.73	369.83	5.28	-111.45
O=C([O-])C1CC(NC(=O)NC2CC3(CC3F)C2)(C(=O)[O-])C1	REAL300012991243	0	36	-2.0	-116.40	311.53	5.94	-110.46
O=C([O-])C1CC(NC(=O)NC2CC3(C2)CC2CCC3C2)(C(=O)[O-])C1	REAL300012991514	0	46	-2.0	-122.09	353.32	8.16	-113.93
CS(=O)(=O)C1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)SC=C1	REAL300012991799	0	38	-2.0	-118.88	347.12	3.46	-115.42
CN1C=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300012992098	0	42	-2.0	-120.78	359.78	7.84	-112.94
CC1=C2C(=CC=C1)C(CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=CN2C	REAL300012992392	0	48	-2.0	-127.76	397.30	9.13	-118.63
C[C@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300012992613	0	42	-2.0	-115.00	368.96	6.68	-108.32
CN1C(C)(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCS1(=O)=O	REAL300012992901	0	43	-2.0	-124.46	358.44	2.29	-122.17
C[C@@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012993153	0	48	-2.0	-117.37	397.13	10.30	-107.07
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CC1=NC(Cl)=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012993729	0	37	-2.0	-112.45	334.52	5.47	-106.98
O=C([O-])C1CC(NC(=O)NCC2=CC(C3=CC=CC=C3)=NN2)(C(=O)[O-])C1	REAL300012994041	0	42	-2.0	-113.97	364.83	5.97	-108.00
CC(C)OC1=CC=CC=C1[C@@H](C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012994341	0	48	-2.0	-121.12	389.97	7.84	-113.28
O=C([O-])C1CC(NC(=O)NCCC2CCCCC2(F)F)(C(=O)[O-])C1	REAL300012994643	0	44	-2.0	-119.93	359.37	7.16	-112.77
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300012994953	0	45	-2.0	-124.29	376.91	6.80	-117.49
O=C([O-])C1CC(NC(=O)NCC2=CC=CC3=C2CCCC3)(C(=O)[O-])C1	REAL300012995549	0	45	-2.0	-116.36	363.68	8.36	-108.00
O=C([O-])C1CC(NC(=O)NCC23COC(C=CC2)C3)(C(=O)[O-])C1	REAL300012995795	0	41	-2.0	-119.46	330.97	5.23	-114.23
CN1N=C(C(F)F)C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012996104	0	38	-2.0	-113.12	340.67	4.48	-108.64
O=C([O-])C1CC(NC(=O)NCC23CCCCC2C3(F)F)(C(=O)[O-])C1	REAL300012996415	0	42	-2.0	-116.20	340.60	7.07	-109.13
CC(C)(C)O[C@@H]1C[C@H](CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C12CCC2	REAL300012996726	0	55	-2.0	-117.98	429.05	8.02	-109.96
O=C([O-])C1CC(NC(=O)NCCN2C=NC3=C(C=CS3)C2=O)(C(=O)[O-])C1	REAL300012997155	0	40	-2.0	-124.98	362.76	6.13	-118.85
O=C([O-])C1CC(NC(=O)NCC2(C(F)(F)F)CC3CCC2CC3)(C(=O)[O-])C1	REAL300012997372	0	48	-2.0	-120.27	370.42	8.43	-111.84
O=C([O-])C1CC(NC(=O)NC2CC(CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012997664	0	45	-2.0	-117.74	374.66	8.88	-108.86
O=C([O-])C1CC(NC(=O)NC2CC(CC(F)(F)F)C2)(C(=O)[O-])C1	REAL300012997949	0	38	-2.0	-118.39	332.13	6.21	-112.18
CC12COC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)(C1)CCC2	REAL300012998235	0	46	-2.0	-116.33	357.07	5.60	-110.73
CC12CCC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)(C1)OC2	REAL300012998483	0	43	-2.0	-121.53	346.13	5.20	-116.33
CC12CCC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)(CC1)OC2	REAL300012998768	0	46	-2.0	-121.54	360.59	5.86	-115.68
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2OCCO)(C(=O)[O-])C1	REAL300012999080	0	43	-2.0	-123.59	367.09	3.22	-120.37
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300012999310	0	42	-2.0	-113.77	368.90	6.68	-107.09
CNS(=O)(=O)NCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300012999934	0	38	-2.0	-125.86	341.57	-2.11	-127.97
O=C([O-])C1CC(NC(=O)NCC2=CNC3=CC=C(F)C=C23)(C(=O)[O-])C1	REAL300013000245	0	39	-2.0	-122.49	343.83	6.18	-116.31
CC(C)N(CCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC1=CC=CO1	REAL300013000544	1	49	-2.0	-123.24	389.43	5.18	-118.06
CCC1=CNN=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013000750	0	38	-2.0	-124.47	328.85	3.94	-120.53
CCN1C=NC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013000956	0	38	-2.0	-115.45	326.01	6.29	-109.16
CC(C)C1=CNN=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013001192	0	41	-2.0	-124.70	347.68	4.45	-120.25
O=C([O-])C1CC(NC(=O)NC2CCOC3(CCSCC3)C2)(C(=O)[O-])C1	REAL300013001592	0	47	-2.0	-114.93	369.87	6.24	-108.69
O=C([O-])C1CC(NC(=O)NC2CCC(N3CCOC3=O)CC2)(C(=O)[O-])C1	REAL300013001873	0	47	-2.0	-140.63	379.50	5.71	-134.92
C[C@@H](CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)CC(F)(F)F	REAL300013002108	0	37	-2.0	-113.07	320.27	5.61	-107.46
O=C([O-])C1CC(NC(=O)NCC2=C(F)C3=CC=CC=C3C=C2)(C(=O)[O-])C1	REAL300013002598	0	41	-2.0	-120.49	356.12	8.31	-112.18
CC1CCCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300013002839	0	47	-2.0	-114.52	359.08	7.58	-106.94
COC1CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1(C)C	REAL300013003105	0	45	-2.0	-120.76	363.55	5.34	-115.42
CC1(C)CCCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300013003555	0	50	-2.0	-114.36	368.46	7.78	-106.58
CCCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC(F)=CC=C1F	REAL300013003854	0	44	-2.0	-116.85	378.25	9.08	-107.77
COC1=CC=C(F)C=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013004133	0	39	-2.0	-117.79	340.28	5.47	-112.32
CC1CCC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300013004381	0	47	-2.0	-120.42	363.23	7.49	-112.93
COC1=CC2=C(C(C)NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)N=CC=C2C=C1	REAL300013004630	0	47	-2.0	-125.73	391.57	6.55	-119.18
O=C([O-])C1CC(NC(=O)N[C@@H]2C[C@H]2C2=C(Cl)C=CC=C2Cl)(C(=O)[O-])C1	REAL300013004970	0	39	-2.0	-118.33	361.42	8.21	-110.12
CS(=O)(=O)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300013005251	0	40	-2.0	-123.72	361.02	1.69	-122.03
CC1=CC(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=N1	REAL300013006153	0	40	-2.0	-120.20	341.32	5.81	-114.39
CC12CC3CC(C)(C1)CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)(C3)C2	REAL300013006432	0	55	-2.0	-115.58	405.01	9.28	-106.30
CC(C)OC1=CC=CC=C1[C@H](C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013006722	0	48	-2.0	-127.69	391.36	8.01	-119.68
CNS(=O)(=O)NCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013007187	0	41	-2.0	-125.91	363.07	-1.33	-127.24
COC1=CC(O)=CC=C1OCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013007479	0	44	-2.0	-125.59	377.30	2.81	-122.78
O=C([O-])C1CC(NC(=O)N[C@@H]2C[C@H]2C2=CC=CC3=C2OCCO3)(C(=O)[O-])C1	REAL300013007803	0	45	-2.0	-125.59	377.71	6.76	-118.83
CC1=C2C(CCNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CN(C)C2=CC=C1	REAL300013008082	0	48	-2.0	-120.65	393.88	8.96	-111.69
C[C@@H]1CN(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C[C@H](C)O1	REAL300013008372	0	47	-2.0	-115.28	375.08	2.85	-112.43
O=C([O-])C1CC(NC(=O)NCCCC2=CC=NC=C2)(C(=O)[O-])C1	REAL300013008620	0	40	-2.0	-120.99	345.02	5.95	-115.04
O=C([O-])C1CC(NC(=O)NCCNS(=O)(=O)C2CC2)(C(=O)[O-])C1	REAL300013008928	0	40	-2.0	-127.02	356.69	1.07	-125.95
CC1=CC(C)=NN1C1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013009162	0	48	-2.0	-122.69	406.04	8.27	-114.42
O=C([O-])C1CC(NC(=O)NCC2=CC=C(CC3CC3)C=C2)(C(=O)[O-])C1	REAL300013009455	0	45	-2.0	-114.99	379.93	9.07	-105.92
COC1=CC(F)=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013009740	0	39	-2.0	-116.23	340.27	5.46	-110.77
CC1=CC(Br)=CC(C)=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013009961	0	41	-2.0	-112.44	360.73	7.70	-104.74
O=C([O-])C1CC(NC(=O)NCC2CCC3(CC3(F)F)C2)(C(=O)[O-])C1	REAL300013010249	0	42	-2.0	-116.79	355.86	7.23	-109.56
CN(C)C(=O)NCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013010533	0	43	-2.0	-128.77	362.59	3.10	-125.67
O=C([O-])C1CC(NC(=O)NCC2=NC3=CC=CNC3=C2)(C(=O)[O-])C1	REAL300013010821	0	38	-2.0	-140.07	331.64	4.56	-135.51
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CC=C2)C(F)F)(C(=O)[O-])C1	REAL300013011136	0	41	-2.0	-120.23	348.92	7.79	-112.44
COC1(OC)CCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300013011446	0	46	-2.0	-115.25	368.85	4.69	-110.56
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=C(N(C)C)N=C1	REAL300013011751	0	48	-2.0	-119.89	390.91	7.28	-112.61
COC1CC2(CC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2)C1	REAL300013012027	0	46	-2.0	-120.89	377.68	6.05	-114.84
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013012309	0	51	-2.0	-122.42	404.03	7.73	-114.69
CN1C=NC(C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N2CCCC2)=C1	REAL300013012575	0	50	-2.0	-122.07	397.75	6.65	-115.42
CC1=CC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C#N	REAL300013012874	0	42	-2.0	-116.54	366.94	7.74	-108.80
CC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OC(C)(C)C	REAL300013013116	0	44	-2.0	-121.52	350.91	5.11	-116.41
CC(C)(C)OCCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013013396	0	47	-2.0	-121.78	380.06	5.86	-115.92
O=C([O-])C1CC(NC(=O)NCCC2=CC=C(C3CC3)C=C2)(C(=O)[O-])C1	REAL300013013872	0	45	-2.0	-121.82	377.87	9.04	-112.78
O=C([O-])C1CC(NC(=O)NCCCCCC2CC2)(C(=O)[O-])C1	REAL300013014246	0	44	-2.0	-119.99	364.85	7.82	-112.17
CC12CC(CCNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)(C1)CO2	REAL300013014484	0	43	-2.0	-117.90	351.77	4.97	-112.93
CC(C)CN1N=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013014769	0	44	-2.0	-112.31	368.78	6.04	-106.27
CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(F)=C1	REAL300013015055	0	41	-2.0	-118.12	353.90	7.53	-110.59
O=C([O-])C1CC(NC(=O)NCC2=CC=C3CCCCC3=C2F)(C(=O)[O-])C1	REAL300013015360	0	45	-2.0	-119.31	372.67	8.54	-110.77
O=C([O-])C1CC(NC(=O)NC[C@@H]2C[C@]23CCCC2=CC=CC=C23)(C(=O)[O-])C1	REAL300013015644	0	49	-2.0	-122.19	394.61	9.72	-112.47
O=C([O-])C1CC(NC(=O)NCCN2N=NC3=CC=CC=C32)(C(=O)[O-])C1	REAL300013015943	0	40	-2.0	-122.50	349.89	4.74	-117.76
O=C([O-])C1CC(NC(=O)NCC2CCCC3=NC=CN32)(C(=O)[O-])C1	REAL300013016229	0	42	-2.0	-117.66	341.74	6.73	-110.93
O=C([O-])C1CC(NC(=O)NCC2=COC3=CC=C(F)C=C23)(C(=O)[O-])C1	REAL300013016540	0	38	-2.0	-118.45	339.77	6.49	-111.96
C[C@@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCS1	REAL300013016823	0	42	-2.0	-120.08	343.01	6.82	-113.26
CC1(C)NC(=O)N(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1=O	REAL300013017138	0	43	-2.0	-123.85	368.86	2.39	-121.46
COCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=N1	REAL300013017420	0	41	-2.0	-117.75	351.28	4.63	-113.12
O=C([O-])C1CC(NC(=O)NCC2(CC3CC3)CCCC2)(C(=O)[O-])C1	REAL300013017706	0	48	-2.0	-122.62	377.04	8.70	-113.92
CCC(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013018018	0	47	-2.0	-114.88	384.10	8.66	-106.22
O=C([O-])C1CC(NC(=O)NCC2=CC(C(F)(F)F)=CS2)(C(=O)[O-])C1	REAL300013018317	0	35	-2.0	-112.89	335.54	6.18	-106.71
C[C@@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCS1(=O)=O	REAL300013018614	0	44	-2.0	-127.31	360.83	3.15	-124.16
COC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=N1	REAL300013018892	0	41	-2.0	-113.58	349.82	3.52	-110.06
CCC(=O)NCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013019091	0	38	-2.0	-121.77	328.33	2.31	-119.46
COC1=CC=CC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1F	REAL300013019385	0	42	-2.0	-128.17	363.41	6.28	-121.89
O=C([O-])C1CC(NC(=O)NC[C@@H]2CCC[C@H](CF)C2)(C(=O)[O-])C1	REAL300013019665	0	44	-2.0	-120.22	355.55	7.32	-112.90
CNC(=O)NCCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013019907	0	40	-2.0	-128.67	344.39	0.92	-127.75
O=C([O-])C1CC(NC(=O)NC2CCCC3=C2C=NN3C2CCCC2)(C(=O)[O-])C1	REAL300013020221	0	52	-2.0	-130.24	409.87	8.15	-122.09
CCC1=NC=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013020444	0	37	-2.0	-113.80	333.62	4.77	-109.03
O=C([O-])C1CC(NC(=O)NCC2CC3(C2)CC(F)(F)C3)(C(=O)[O-])C1	REAL300013020754	0	42	-2.0	-116.14	355.86	7.17	-108.97
CCCC(C)(C)CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013020952	0	43	-2.0	-120.15	340.34	6.64	-113.51
O=C([O-])C1CC(NC(=O)NCCNC(=O)N2CCOCC2)(C(=O)[O-])C1	REAL300013021248	0	45	-2.0	-122.40	372.51	2.02	-120.38
O=C([O-])C1CC(NC(=O)NCC2CCOCC2)(C(=O)[O-])C1	REAL300013021442	0	39	-2.0	-120.92	320.34	4.15	-116.77
CC1=NC(C)=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1C	REAL300013021713	0	42	-2.0	-122.20	352.67	4.09	-118.11
O=C([O-])C1CC(NC(=O)NCC2COCC3=CC=CC=C32)(C(=O)[O-])C1	REAL300013022151	0	43	-2.0	-116.77	353.14	6.02	-110.75
O=C([O-])C1CC(NC(=O)NCCCN2C=CC3=CC=CC=C3C2=O)(C(=O)[O-])C1	REAL300013022400	0	47	-2.0	-128.94	400.30	8.29	-120.65
COC1=CC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(OC)=C1O	REAL300013022643	0	47	-2.0	-125.63	398.13	3.94	-121.69
CC1=C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)OC2=CC=C(Cl)C=C12	REAL300013022891	0	41	-2.0	-118.97	370.94	7.80	-111.17
CCC1(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCCCC1	REAL300013023161	0	50	-2.0	-123.40	355.83	8.48	-114.92
O=C([O-])C(NC(=O)NCC1CCCC(F)(F)C(=O)[N-]1)C1=CC(F)=CC=C1F	REAL300013023263	1	42	-2.0	-105.57	364.66	2.88	-102.69
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCCC(F)(F)C(=O)[N-]1	REAL300013023304	1	38	-2.0	-99.95	333.63	1.34	-98.61
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1CCCC(F)(F)C(=O)[N-]1	REAL300013023311	1	41	-2.0	-99.02	355.25	3.60	-95.42
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCCC(F)(F)C(=O)[N-]1	REAL300013023383	1	38	-2.0	-98.37	330.26	2.96	-95.41
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCCC(F)(F)C(=O)[N-]1	REAL300013023384	1	38	-2.0	-98.37	330.26	2.96	-95.41
O=C([O-])C(NC(=O)NCC1CCCC(F)(F)C(=O)[N-]1)C1(C(F)(F)F)CC1	REAL300013023442	1	42	-2.0	-100.47	358.94	2.13	-98.34
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCCC(F)(F)C(=O)[N-]1	REAL300013023444	1	38	-2.0	-99.95	333.63	1.34	-98.61
O=C([O-])C1CC(NC(=O)NCC2CCCC(F)(F)C(=O)N2)(C(=O)[O-])C1	REAL300013023469	0	42	-2.0	-129.43	348.46	3.39	-126.04
COC(CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C(C)C	REAL300013023672	0	41	-2.0	-121.66	334.78	4.18	-117.48
CC1=NOC(C)(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300013024046	0	39	-2.0	-125.25	331.56	4.27	-120.98
CC1CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCS1(=O)=O	REAL300013024443	0	44	-2.0	-126.05	361.42	3.15	-122.90
O=C([O-])C1CC(NC(=O)NCC2(C(F)(F)F)CCCCC2)(C(=O)[O-])C1	REAL300013024735	0	44	-2.0	-114.90	350.47	7.34	-107.56
O=C([O-])C1CC(NC(=O)NCC2=NOC(C3CCCC3)=C2)(C(=O)[O-])C1	REAL300013025035	0	44	-2.0	-116.34	367.64	6.86	-109.48
CC(F)(F)C1(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300013025320	0	41	-2.0	-126.05	345.70	6.59	-119.46
O=C([O-])C1CC(NC(=O)NCC2(C3=CC=CS3)CCOCC2)(C(=O)[O-])C1	REAL300013025580	0	46	-2.0	-120.02	378.86	6.55	-113.47
O=C([O-])C1CC(NC(=O)NCC2(C3=CC=CC=C3F)CCCC2)(C(=O)[O-])C1	REAL300013025845	0	48	-2.0	-119.92	380.53	9.95	-109.97
O=C([O-])C1CC(NC(=O)NCC2=NOC(C3=CC=CC=C3F)=C2)(C(=O)[O-])C1	REAL300013026115	0	41	-2.0	-117.99	368.45	7.25	-110.74
O=C([O-])C1CC(NC(=O)NCC2=NOC(C3=CC=C(F)C=C3)=C2)(C(=O)[O-])C1	REAL300013026385	0	41	-2.0	-120.32	368.17	7.31	-113.01
O=C([O-])C1CC(NC(=O)NCC2=CC(Cl)=CS2)(C(=O)[O-])C1	REAL300013026658	0	32	-2.0	-112.30	312.54	5.67	-106.63
O=C([O-])C1CC(NC(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)(C(=O)[O-])C1	REAL300013026992	0	49	-2.0	-123.13	390.56	7.32	-115.81
O=C([O-])C1CC(NC(=O)NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)(C(=O)[O-])C1	REAL300013027202	0	41	-2.0	-115.43	377.12	7.65	-107.78
O=C([O-])C1CC(NC(=O)NCCC2=CC(C(F)(F)F)=CO2)(C(=O)[O-])C1	REAL300013027713	0	38	-2.0	-122.34	350.28	6.12	-116.22
O=C([O-])C1CC(NC(=O)NCC2C=CCCCC2)(C(=O)[O-])C1	REAL300013027920	0	42	-2.0	-121.64	326.62	6.51	-115.13
CC1CCC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300013028140	0	42	-2.0	-119.76	344.69	4.92	-114.84
O=C([O-])C1CC(NC(=O)NCC23CC4CC(CC(C4)O2)C3)(C(=O)[O-])C1	REAL300013028445	0	47	-2.0	-116.76	358.97	6.21	-110.55
NC(=O)C12CC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)(C1)OC2	REAL300013028727	0	41	-2.0	-125.94	350.56	0.44	-125.50
O=C([O-])C1CC(NC(=O)NCCC23CCC(CC2)C3)(C(=O)[O-])C1	REAL300013028974	0	45	-2.0	-122.04	355.35	7.46	-114.58
CC12CC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)(C1)CO2	REAL300013029291	0	40	-2.0	-114.23	330.61	4.37	-109.86
O=C([O-])C1CC(NC(=O)NCCC2=CC(Cl)=CC=C2Cl)(C(=O)[O-])C1	REAL300013029572	0	38	-2.0	-115.74	357.41	7.77	-107.97
CC(C)(C)C1CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300013029807	0	47	-2.0	-121.70	367.93	7.43	-114.27
O=C([O-])C1CC(NC(=O)NCC2(CF)CC23CCOCC3)(C(=O)[O-])C1	REAL300013030287	0	46	-2.0	-113.83	370.20	5.68	-108.15
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1COCCO1	REAL300013030524	0	40	-2.0	-120.46	330.20	3.61	-116.85
O=C([O-])C1CC(NC(=O)NCCCNS(=O)(=O)C2CC2)(C(=O)[O-])C1	REAL300013030827	0	43	-2.0	-125.81	378.19	1.83	-123.98
CC1(C)CC(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CO1	REAL300013031086	0	45	-2.0	-122.63	364.69	5.44	-117.19
CC1=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300013031368	0	41	-2.0	-119.31	366.06	6.55	-112.76
O=C([O-])C1CC(NC(=O)NCC23CCCC2C3(F)F)(C(=O)[O-])C1	REAL300013031641	0	39	-2.0	-115.46	330.13	6.67	-108.79
CC(C)CN1C=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013031927	0	44	-2.0	-125.14	372.52	6.26	-118.88
NC(=O)CC1COC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300013032230	0	43	-2.0	-131.97	359.36	0.85	-131.12
O=C([O-])C1CC(NC(=O)NC2=CN(C3CCS(=O)(=O)C3)N=C2)(C(=O)[O-])C1	REAL300013032482	0	42	-2.0	-128.94	364.53	2.20	-126.74
CCC1CCCC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300013032751	0	50	-2.0	-114.65	377.28	8.22	-106.43
O=C([O-])C1CC(NC(=O)NC[C@@H]2C[C@@H]2C(F)F)(C(=O)[O-])C1	REAL300013032962	0	35	-2.0	-123.30	308.47	5.52	-117.78
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(N3C=CC=N3)=N2)(C(=O)[O-])C1	REAL300013033262	0	41	-2.0	-123.58	362.49	6.61	-116.97
O=C([O-])C1CC(NC(=O)NCC2(C3=CC=CC=N3)CC3(CCC3)C2)(C(=O)[O-])C1	REAL300013033506	0	51	-2.0	-116.87	411.89	8.68	-108.19
C[C@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300013033899	0	38	-2.0	-125.76	328.75	7.09	-118.67
N#CC1=CC=C([C@H]2C[C@H](NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2)C=C1	REAL300013034211	0	43	-2.0	-117.41	369.98	8.41	-109.00
O=C([O-])C1CC(NC(=O)NCC2=NC(C3=CC=C(F)C=C3)=CS2)(C(=O)[O-])C1	REAL300013034440	0	41	-2.0	-123.47	376.30	7.00	-116.47
CC1(C)CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2O1	REAL300013034728	0	46	-2.0	-122.44	382.66	7.27	-115.17
CC1=CC=CC=C1CCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013035007	0	44	-2.0	-120.42	365.48	8.19	-112.23
CC(C)CC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300013035293	0	43	-2.0	-115.53	363.77	6.30	-109.23
CC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CN=C1Br	REAL300013035545	0	37	-2.0	-117.76	341.71	5.43	-112.33
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CC(F)(F)C1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013037728	0	40	-2.0	-115.87	354.28	5.98	-109.89
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CC1=CN=C(F)C(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013040643	0	37	-2.0	-117.66	327.48	4.84	-112.82
COC1(C(F)(F)CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CCCC1	REAL300013040945	0	45	-2.0	-115.48	361.65	5.29	-110.19
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NC(=O)C1CC2(CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2)C1	REAL300013041507	0	43	-2.0	-127.76	360.11	3.09	-124.67
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CC2CCC1C2	REAL300013041793	0	48	-2.0	-127.71	366.45	8.10	-119.61
CC(C)N1C=NC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013042040	0	41	-2.0	-120.10	348.93	6.61	-113.49
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CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCC(F)(F)CC1	REAL300013042612	0	47	-2.0	-117.20	364.80	7.69	-109.51
CSCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013043079	0	42	-2.0	-125.25	383.84	9.20	-116.05
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CCC(C(F)(F)F)CC1	REAL300013043287	0	50	-2.0	-130.48	396.00	8.79	-121.69
NS(=O)(=O)NCCNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013043511	0	35	-2.0	-127.24	319.16	-3.33	-130.57
O=C([O-])C1CC(NC(=O)NCC2=CC=CN=C2OC(F)F)(C(=O)[O-])C1	REAL300013043820	0	38	-2.0	-118.85	342.55	3.53	-115.32
CSC1=NC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013044124	0	40	-2.0	-124.52	361.30	5.46	-119.06
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=NC=C(C2=CC=C(F)C=C2)O1	REAL300013044391	0	44	-2.0	-120.82	388.50	5.61	-115.21
CC1(C)COC1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013044570	0	39	-2.0	-123.24	324.63	3.68	-119.56
CC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)O1	REAL300013044771	0	38	-2.0	-114.87	329.18	5.64	-109.23
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O=C([O-])C1CC(NC(=O)NCC2=C3C=C(Cl)C=CC3=NN2)(C(=O)[O-])C1	REAL300013045060	1	38	-2.0	-112.84	348.99	5.16	-107.68
COC1=CC(C)=CC(C)=C1C(C)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013045354	0	48	-2.0	-124.23	388.76	7.94	-116.29
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1CC2=CC=CC=C2C1	REAL300013045775	0	48	-2.0	-122.21	382.12	8.98	-113.23
COC1(C)CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300013046335	0	45	-2.0	-122.90	348.93	4.95	-117.95
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1OC(F)(F)F	REAL300013046569	0	42	-2.0	-125.01	368.09	6.92	-118.09
CN1C(CC2=CC=CC=C2)=CN=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013047141	0	48	-2.0	-118.21	404.04	8.53	-109.68
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CCCOC1CCC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300013047980	0	48	-2.0	-123.85	380.51	7.02	-116.83
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COC1=CC=C(C(C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013048510	0	41	-2.0	-120.12	351.73	3.66	-116.46
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CSCC(CC1=CC=CS1)NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013049356	0	42	-2.0	-126.85	376.95	7.85	-119.00
CCC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1COCCO1	REAL300013049628	0	43	-2.0	-122.18	345.00	3.72	-118.46
CC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CN=CN1C	REAL300013049845	0	38	-2.0	-124.08	321.01	6.02	-118.06
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COC1=CC=C2NC=C(C(C)CNC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300013050390	0	49	-2.0	-125.43	408.36	6.94	-118.49
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O=C([O-])C1CC(NC(=O)NC2CC[Si]3(CCCCC3)CC2)(C(=O)[O-])C1	REAL300013051447	0	51	-2.0	-122.15	395.86	10.14	-112.01
CC(C)(C)O[C@H]1CC[C@H](NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300013051781	0	51	-2.0	-124.66	397.17	6.94	-117.72
O=C([O-])C1CC(NC(=O)N[C@@H]2CO[C@H]3COC[C@H]32)(C(=O)[O-])C1	REAL300013052008	0	38	-2.0	-121.04	315.03	2.03	-119.01
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C=CCC1C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)CC1OC(C)(C)C	REAL300013052819	0	52	-2.0	-116.01	417.91	7.48	-108.53
CC1=CC(F)=NC=C1CNC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013053050	0	37	-2.0	-112.38	324.27	5.00	-107.38
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COC1=CC=C([C@H](C)NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300013053740	0	44	-2.0	-121.24	378.48	7.63	-113.61
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C[C@@H](NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300013054185	0	38	-2.0	-119.26	327.32	6.97	-112.29
O=C([O-])C1CC(NC(=O)NC2CCC(=C(F)F)CC2)(C(=O)[O-])C1	REAL300013054470	0	39	-2.0	-119.31	332.14	6.43	-112.88
O=C([O-])C1CC(NC(=O)NC2CCC3(CC3)CC2)(C(=O)[O-])C1	REAL300013054687	0	42	-2.0	-117.61	339.32	7.05	-110.56
O=C([O-])C1CC(NC(=O)NC2CC3(C2)CNC(=O)O3)(C(=O)[O-])C1	REAL300013055071	0	38	-2.0	-127.84	325.37	1.37	-126.47
COC1=CC=CC=C1[C@H]1C[C@H](NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C1	REAL300013055639	0	46	-2.0	-123.93	378.54	7.51	-116.42
COC1=CC([C@@H]2C[C@H]2NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C(OC)C=C1C	REAL300013055864	0	50	-2.0	-125.13	412.33	6.98	-118.15
COC12CCCC(CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C1)C2	REAL300013056154	0	49	-2.0	-116.50	368.20	5.88	-110.62
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CCS(=O)(=O)NC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300013057870	0	46	-2.0	-123.04	393.30	4.32	-118.72
COCCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300013058271	0	43	-2.0	-127.94	382.00	5.97	-121.97
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300013058518	0	39	-2.0	-124.00	330.56	5.97	-118.03
O=C([O-])C1CC(NC(=O)NC2=CC=C(N3CCCC3)C(F)=C2)(C(=O)[O-])C1	REAL300013059023	0	44	-2.0	-127.04	361.51	6.33	-120.71
CC1=NC(C2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)=NO1	REAL300013059343	0	40	-2.0	-137.70	353.05	5.28	-132.42
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CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013059887	0	39	-2.0	-127.23	338.58	6.22	-121.01
CC1=C(C)OC(C2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)=N1	REAL300013060200	0	44	-2.0	-139.65	379.93	5.86	-133.79
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CS(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013060712	0	37	-2.0	-134.21	333.22	4.51	-129.70
COCCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013061029	0	43	-2.0	-129.95	372.20	5.48	-124.47
C=CCOC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013061320	0	40	-2.0	-129.18	345.25	6.74	-122.44
O=C([O-])C1CC(NC(=O)NC2=CC=C3OCCC3=C2)(C(=O)[O-])C1	REAL300013061581	0	37	-2.0	-118.20	315.54	5.66	-112.54
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC1=CC=CN=C1	REAL300013061859	0	45	-2.0	-124.82	383.36	7.62	-117.20
CC1=CC=NN1C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013062176	0	42	-2.0	-139.08	358.18	7.55	-131.53
CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300013062475	0	42	-2.0	-123.84	352.41	6.90	-116.94
CCN1N=CC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C21	REAL300013062803	0	41	-2.0	-122.40	351.94	6.80	-115.60
COCCN1N=CC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C21	REAL300013063106	0	45	-2.0	-129.51	385.91	5.83	-123.68
CC1=C(Cl)C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300013063421	0	35	-2.0	-112.95	329.09	7.35	-105.60
CC(C)CCOC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013063738	0	48	-2.0	-128.54	392.90	8.26	-120.28
CC(C)C1=NC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2S1	REAL300013064033	0	43	-2.0	-119.72	375.47	7.36	-112.36
O=C([O-])C1CC(NC(=O)NC2=CC=CC(COC3CCCCC3)=C2)(C(=O)[O-])C1	REAL300013064275	0	52	-2.0	-124.49	419.81	9.31	-115.18
CC(C)CN1C=CC2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C21	REAL300013064570	0	48	-2.0	-131.63	390.30	9.61	-122.02
CC(C)OCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013064886	0	45	-2.0	-124.47	378.18	7.37	-117.10
O=C([O-])C1CC(NC(=O)NC2=CC=CC(COCC3CC3)=C2)(C(=O)[O-])C1	REAL300013065211	0	46	-2.0	-124.76	389.59	8.20	-116.56
CC(C)OCCOCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013065447	0	52	-2.0	-126.72	433.66	7.60	-119.12
CCCS(=O)(=O)NC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013065664	0	46	-2.0	-118.08	396.20	4.21	-113.87
O=C([O-])C1CC(NC(=O)NC2=CC=C3N=C(C4CC4)SC3=C2)(C(=O)[O-])C1	REAL300013065951	0	41	-2.0	-120.19	364.40	7.66	-112.53
CCCN1C=CC2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C21	REAL300013066702	0	45	-2.0	-131.08	378.30	9.36	-121.72
CC(C)N1N=CC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C21	REAL300013067150	0	44	-2.0	-127.53	371.90	7.46	-120.07
CS(=O)(=O)CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013067461	0	41	-2.0	-128.57	364.18	4.02	-124.55
CS(=O)(=O)CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013067766	0	41	-2.0	-129.22	364.64	4.02	-125.20
O=C([O-])C1CC(NC(=O)NC2=CC=C(N3CCCC3)C(Cl)=C2)(C(=O)[O-])C1	REAL300013068041	0	44	-2.0	-125.24	369.61	6.84	-118.40
CC1=CC=C(OC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)N=C1	REAL300013068473	0	45	-2.0	-121.15	387.32	6.85	-114.30
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1N1CCSCC1	REAL300013068709	0	48	-2.0	-122.21	399.60	8.46	-113.75
CC1=CSC(C2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)=N1	REAL300013069000	0	41	-2.0	-126.80	367.26	7.40	-119.40
O=C([O-])C1CC(NC(=O)NC2=CC=C(OCC3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300013069430	0	52	-2.0	-117.68	414.22	9.42	-108.26
O=C([O-])C1CC(NC(=O)NC2=CC=CC(OCC3=CSC=N3)=C2)(C(=O)[O-])C1	REAL300013069668	0	42	-2.0	-123.51	375.35	6.31	-117.20
COC1=C(Cl)C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300013070302	0	36	-2.0	-118.48	346.85	6.41	-112.07
CC1=NN(C2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)C=C1	REAL300013070620	0	42	-2.0	-139.17	361.35	7.71	-131.46
CC1=NN=NN1C1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1F	REAL300013070917	0	40	-2.0	-121.34	356.74	6.13	-115.21
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1N1N=NN=C1C	REAL300013071159	0	44	-2.0	-120.37	379.13	5.47	-114.90
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C(F)F)=C2)(C(=O)[O-])C1	REAL300013071423	0	35	-2.0	-120.19	313.16	6.80	-113.39
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OCC(F)F	REAL300013071735	0	42	-2.0	-124.44	365.41	7.23	-117.21
CCOCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013072026	0	42	-2.0	-124.37	357.91	6.63	-117.74
CSCC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013072352	0	39	-2.0	-117.54	345.74	7.70	-109.84
CSCCC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013072680	0	42	-2.0	-117.26	367.24	8.49	-108.77
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Br	REAL300013072948	0	36	-2.0	-125.39	330.91	5.89	-119.50
O=C([O-])C1CC(NC(=O)NC2=CC=CC(S(=O)(=O)C(F)F)=C2)(C(=O)[O-])C1	REAL300013073186	0	38	-2.0	-120.42	353.03	3.74	-116.68
O=C([O-])C1CC(NC(=O)NC2=CC=CC(SC(F)F)=C2)(C(=O)[O-])C1	REAL300013073496	0	36	-2.0	-125.64	330.80	7.19	-118.45
C=C(C)COC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013073819	0	43	-2.0	-130.29	364.66	7.55	-122.74
COC1=NC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2C=C1	REAL300013074150	0	41	-2.0	-126.29	354.06	4.83	-121.46
CSC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300013074477	0	36	-2.0	-124.94	336.19	7.40	-117.54
O=C([O-])C1CC(NC(=O)NC2=CC=C(N3CCOCC3)C(F)=C2)(C(=O)[O-])C1	REAL300013074759	0	45	-2.0	-118.77	368.21	4.74	-114.03
COC1=CC(Br)=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013075017	0	36	-2.0	-116.91	330.40	5.73	-111.18
CC(C)(C)C1=NC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2S1	REAL300013075510	0	46	-2.0	-116.49	393.07	7.83	-108.66
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3=NC=CO3)=C2)(C(=O)[O-])C1	REAL300013075822	0	38	-2.0	-130.86	336.85	4.46	-126.40
C#CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013076126	0	38	-2.0	-119.54	336.77	6.58	-112.96
C#CCOC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013076429	0	38	-2.0	-130.94	338.13	6.71	-124.23
CC(C)(C)CC1=NC2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2O1	REAL300013076671	0	49	-2.0	-121.51	402.74	6.30	-115.21
CSCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013076952	0	39	-2.0	-124.62	347.11	7.82	-116.80
COC1=CC(F)=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013077211	0	36	-2.0	-116.20	315.52	5.18	-111.02
O=C([O-])C1CC(NC(=O)NC2=CC=C(Cl)C(Br)=C2)(C(=O)[O-])C1	REAL300013077465	0	32	-2.0	-120.96	317.10	7.01	-113.95
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O=C([O-])C1CC(NC(=O)NC2=CC=CC(OC3=CC=CC=N3)=C2)(C(=O)[O-])C1	REAL300013078289	0	42	-2.0	-132.83	367.22	6.35	-126.48
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CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013078968	0	47	-2.0	-126.79	402.88	5.52	-121.27
CCS(=O)(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013079271	0	41	-2.0	-122.99	361.31	4.23	-118.76
O=C([O-])C1CC(NC(=O)NC2=CC=C(OCC3CC3)C=C2)(C(=O)[O-])C1	REAL300013079588	0	43	-2.0	-117.55	362.66	7.61	-109.94
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC(F)F	REAL300013079919	0	39	-2.0	-124.07	340.30	6.25	-117.82
CCSC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013080217	0	39	-2.0	-128.64	342.66	7.78	-120.86
O=C([O-])C1CC(NC(=O)NC2=CC=C3SN=CC3=C2)(C(=O)[O-])C1	REAL300013080519	0	34	-2.0	-120.15	312.74	6.11	-114.04
O=C([O-])C1CC(NC(=O)NC2=CC=C(CC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300013080847	0	38	-2.0	-117.12	340.59	7.59	-109.53
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC2=NNC=C21	REAL300013081145	0	38	-2.0	-128.58	328.20	5.26	-123.32
CC(C)(C)S(=O)CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013081583	0	49	-2.0	-132.68	412.91	7.18	-125.50
COCCS(=O)CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013081800	0	47	-2.0	-126.87	409.94	5.03	-121.84
CC1=CC=NC(C2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)=N1	REAL300013082094	0	43	-2.0	-134.04	371.73	7.85	-126.19
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC1CCOCC1	REAL300013082335	0	50	-2.0	-122.82	403.59	7.11	-115.71
O=C([O-])C1CC(NC(=O)NC2=CC=C(OCC3CCOCC3)C=C2)(C(=O)[O-])C1	REAL300013082764	0	50	-2.0	-118.40	405.31	7.01	-111.39
O=C([O-])C1CC(NC(=O)NC2=CC=C(COCC3=CC=CC=C3)C=C2)(C(=O)[O-])C1	REAL300013082984	0	49	-2.0	-119.51	416.44	9.55	-109.96
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OCC(F)(F)F	REAL300013083217	0	42	-2.0	-124.53	371.99	7.36	-117.17
CCCS(=O)(=O)NC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013083438	0	46	-2.0	-141.23	400.76	4.22	-137.01
CCN1N=NN=C1C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013083725	0	43	-2.0	-140.17	365.87	6.12	-134.05
O=C([O-])C1CC(NC(=O)NC2=CC=C(COC3CCCC3)C=C2)(C(=O)[O-])C1	REAL300013084017	0	49	-2.0	-118.03	401.48	8.57	-109.46
CCCN1C=CC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C21	REAL300013084515	0	45	-2.0	-128.36	378.18	9.35	-119.01
CC1=CC=NC(OC2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2C)=C1	REAL300013085067	0	48	-2.0	-124.69	409.39	7.58	-117.11
CC(C)CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013085367	0	48	-2.0	-117.14	391.55	8.13	-109.01
CCSCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013085687	0	42	-2.0	-124.59	368.58	8.70	-115.89
CC(C)SCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013086000	0	45	-2.0	-124.54	386.85	9.33	-115.21
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC3CCOC3)C=C2)(C(=O)[O-])C1	REAL300013086313	0	44	-2.0	-116.63	364.91	5.47	-111.16
O=C([O-])C1CC(NC(=O)NC2=CC=CC(CSC3CCCC3)=C2)(C(=O)[O-])C1	REAL300013086582	0	49	-2.0	-124.56	412.98	10.69	-113.87
O=C([O-])C1CC(NC(=O)NC2=CC=CC(CC(F)(F)F)=C2)(C(=O)[O-])C1	REAL300013086892	0	38	-2.0	-124.74	341.97	7.71	-117.03
O=C([O-])C1CC(NC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)(C(=O)[O-])C1	REAL300013087187	0	36	-2.0	-120.31	336.27	6.05	-114.26
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300013087501	0	45	-2.0	-124.00	370.95	7.58	-116.42
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC3CCCC3)C(F)=C2)(C(=O)[O-])C1	REAL300013087786	0	46	-2.0	-126.68	381.64	8.22	-118.46
O=C([O-])C1CC(NC(=O)NC2=CC=CC(N3C=CN=N3)=C2)(C(=O)[O-])C1	REAL300013088102	0	38	-2.0	-124.75	333.11	5.85	-118.90
CC1=COC(C2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)=N1	REAL300013088434	0	41	-2.0	-130.09	359.05	5.02	-125.07
O=C([O-])C1CC(NC(=O)NC2=CC=CC(OCCF)=C2)(C(=O)[O-])C1	REAL300013088732	0	39	-2.0	-131.35	338.92	6.29	-125.06
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C1=NC=CO1	REAL300013089064	0	41	-2.0	-137.71	355.78	4.91	-132.80
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC3CCC3)C(F)=C2)(C(=O)[O-])C1	REAL300013089376	0	43	-2.0	-118.89	364.62	7.59	-111.30
CC1=CC=NC(OC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)=N1	REAL300013089641	0	44	-2.0	-122.74	381.97	4.88	-117.86
CSC1=C(F)C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013090016	0	36	-2.0	-118.40	337.40	7.10	-111.30
CC(C)(C)OC1=C(F)C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013090285	0	45	-2.0	-120.04	377.40	7.35	-112.69
CCOCC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013090573	0	42	-2.0	-117.74	356.53	6.51	-111.23
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3=CC=CC(F)=C3)C(F)=C2)(C(=O)[O-])C1	REAL300013090958	0	42	-2.0	-129.69	372.92	9.65	-120.04
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3=CC=C4OCCC4=C3)=C2)(C(=O)[O-])C1	REAL300013091369	0	47	-2.0	-124.91	391.12	9.20	-115.71
O=C([O-])CN(C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C1CC1	REAL300013091398	0	40	-2.0	-105.83	369.44	5.21	-100.62
CC(C)C(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091399	0	42	-2.0	-121.62	379.52	3.26	-118.36
O=C([O-])C1CCCN1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091400	0	40	-2.0	-110.15	366.48	4.72	-105.43
O=C([O-])CNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091401	0	33	-2.0	-106.68	325.45	1.01	-105.67
CCC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091402	0	39	-2.0	-131.82	368.07	2.86	-128.96
CC(C)C(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091403	0	42	-2.0	-121.62	379.52	3.26	-118.36
CN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091404	0	36	-2.0	-98.53	343.87	3.71	-94.82
O=C([O-])C(CO)NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091405	0	37	-2.0	-134.56	357.19	-1.31	-135.87
O=C([O-])C(CO)NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091406	0	37	-2.0	-134.56	357.19	-1.31	-135.87
CC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091407	0	36	-2.0	-109.41	346.24	1.83	-107.58
CN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091408	0	36	-2.0	-98.53	343.87	3.71	-94.82
CC(C)N(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091409	0	42	-2.0	-98.38	376.02	4.97	-93.41
O=C([O-])CN(C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C1CC1	REAL300013091410	0	40	-2.0	-105.83	369.44	5.21	-100.62
C=CCN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091411	0	40	-2.0	-103.55	378.49	5.25	-98.30
CC(C)(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091412	0	39	-2.0	-104.38	358.82	2.23	-102.15
CC(C)N(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091413	0	42	-2.0	-98.38	376.02	4.97	-93.41
CCCN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091414	0	42	-2.0	-103.74	387.18	5.44	-98.30
CCN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091415	0	39	-2.0	-98.44	365.68	4.69	-93.75
O=C([O-])[C@H](CO)NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091416	0	37	-2.0	-134.69	357.68	-1.31	-136.00
CC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091417	0	36	-2.0	-109.41	346.24	1.83	-107.58
CCC(C)(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091418	0	42	-2.0	-105.99	371.94	3.17	-102.82
C[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091419	0	36	-2.0	-109.30	346.08	1.86	-107.44
CCN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091420	0	39	-2.0	-98.44	365.68	4.69	-93.75
C[C@@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091421	0	36	-2.0	-90.80	346.58	1.79	-89.01
O=C([O-])C1(NC(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=NC=CS3)=C2)CC1	REAL300013091422	0	37	-2.0	-137.54	352.14	2.97	-134.57
O=C([O-])C(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C1CC1	REAL300013091423	0	40	-2.0	-132.43	374.99	3.35	-129.08
O=C([O-])[C@H]1CCCN1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091424	0	40	-2.0	-141.48	367.38	4.24	-137.24
C[C@H](C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091425	0	39	-2.0	-94.02	358.27	3.83	-90.19
O=C([O-])[C@@H]1CCCN1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091426	0	40	-2.0	-143.33	366.78	4.69	-138.64
O=C([O-])C1(NC(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=NC=CS3)=C2)CCC1	REAL300013091427	0	40	-2.0	-134.65	368.92	3.49	-131.16
C=CCC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091428	0	40	-2.0	-131.13	380.55	3.32	-127.81
O=C([O-])C(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C1CC1	REAL300013091429	0	40	-2.0	-132.43	374.99	3.35	-129.08
CC(C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091430	0	39	-2.0	-98.18	357.84	3.95	-94.23
CCCN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091431	0	42	-2.0	-103.74	387.18	5.44	-98.30
O=C([O-])CNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091432	0	33	-2.0	-106.68	325.45	1.01	-105.67
O=C([O-])C(CF)NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091433	0	36	-2.0	-108.67	349.86	1.85	-106.82
C[C@@H](C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091434	0	39	-2.0	-118.58	358.78	3.94	-114.64
CC[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091435	0	39	-2.0	-129.55	367.57	2.95	-126.60
O=C([O-])[C@H]1CCCN1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091436	0	40	-2.0	-141.48	367.38	4.24	-137.24
CCCC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091437	0	42	-2.0	-131.44	388.74	3.64	-127.80
CC(C)[C@@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091438	0	42	-2.0	-121.60	379.52	3.26	-118.34
CCC[C@@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091439	0	42	-2.0	-120.94	389.33	3.68	-117.26
CN(C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(C)(C)C(=O)[O-]	REAL300013091440	0	42	-2.0	-108.35	372.43	4.70	-103.65
O=C([O-])[C@@H]1CCCN1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091441	0	40	-2.0	-143.33	366.78	4.69	-138.64
C#CCC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091442	0	38	-2.0	-130.14	373.51	3.29	-126.85
CC(C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091443	0	39	-2.0	-98.18	357.84	3.95	-94.23
CC(C)[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091444	0	42	-2.0	-129.92	382.95	3.49	-126.43
C[C@@H](C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091445	0	39	-2.0	-118.58	358.78	3.94	-114.64
CCC[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091446	0	42	-2.0	-129.35	388.48	3.68	-125.67
CCN(C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(C)C(=O)[O-]	REAL300013091447	0	42	-2.0	-126.46	379.34	5.28	-121.18
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091448	0	42	-2.0	-119.21	379.23	5.02	-114.19
CN(C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C1(C(=O)[O-])CC1	REAL300013091449	0	40	-2.0	-141.28	365.81	4.95	-136.33
C=CCC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013091450	0	40	-2.0	-131.13	380.55	3.32	-127.81
O=C([O-])C1(NC(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=NC=CS3)=C2)COC1	REAL300013091451	0	38	-2.0	-102.69	360.04	0.51	-102.18
O=C([O-])[C@H](CO)NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091452	0	37	-2.0	-134.69	357.68	-1.31	-136.00
C[C@H](C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013091453	0	39	-2.0	-94.02	358.27	3.83	-90.19
O=C([O-])C1CC(NC(=O)NC2=CC=C3N=C(C4=CC=CC=N4)OC3=C2)(C(=O)[O-])C1	REAL300013091626	0	43	-2.0	-125.74	378.77	4.92	-120.82
O=C([O-])C1CC(NC(=O)NC2=CC=C3N=C(C4CC4)OC3=C2)(C(=O)[O-])C1	REAL300013091911	0	41	-2.0	-122.42	355.85	5.33	-117.09
O=C([O-])C1CC(NC(=O)NC2=CC=C3NC(C(F)F)=NC3=C2)(C(=O)[O-])C1	REAL300013092214	0	38	-2.0	-121.59	341.93	5.57	-116.02
O=C([O-])C1CC(NC(=O)NC2=CC=C3N=C(C(F)F)NC3=C2)(C(=O)[O-])C1	REAL300013092214	1	38	-2.0	-124.19	341.86	5.59	-118.60
CC1=COC(C2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2C)=N1	REAL300013092515	0	44	-2.0	-136.54	374.33	5.73	-130.81
O=C([O-])C1CC(NC(=O)NC2=CC=CC(CCC(F)(F)F)=C2)(C(=O)[O-])C1	REAL300013092813	0	41	-2.0	-117.13	361.68	8.42	-108.71
CN1C=NC(C2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)=N1	REAL300013093282	0	41	-2.0	-128.15	358.91	8.05	-120.10
O=C([O-])C1CC(NC(=O)NC2=CC=C(SC3CCCC3)C=C2)(C(=O)[O-])C1	REAL300013093578	0	46	-2.0	-116.02	381.62	9.49	-106.53
O=C([O-])C1CC(NC(=O)NC2=CC=C3C(=C2)C=NN3C(F)F)(C(=O)[O-])C1	REAL300013093877	0	38	-2.0	-127.54	343.82	6.12	-121.42
COCCN1C=CC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C21	REAL300013094175	0	46	-2.0	-130.16	390.35	7.65	-122.51
NC1=C(Cl)C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300013094490	0	34	-2.0	-119.16	325.21	4.92	-114.24
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC(F)F)C=C2)(C(=O)[O-])C1	REAL300013094813	0	36	-2.0	-116.95	318.89	5.38	-111.57
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC(F)F)C(Cl)=C2)(C(=O)[O-])C1	REAL300013095139	0	36	-2.0	-123.62	336.27	6.06	-117.56
CC1=NC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2S1	REAL300013095453	0	37	-2.0	-116.60	332.89	6.00	-110.60
O=C([O-])C1CC(NC(=O)NC2=CC=C3CCCC3=C2)(C(=O)[O-])C1	REAL300013095713	0	39	-2.0	-118.29	325.17	7.72	-110.57
CCCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OCCC	REAL300013095951	0	52	-2.0	-121.78	426.43	8.57	-113.21
CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OCC	REAL300013096246	0	46	-2.0	-122.32	383.44	6.96	-115.36
CC1=CC=CC(OC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)=C1	REAL300013096518	0	46	-2.0	-116.71	390.24	9.35	-107.36
O=C([O-])C1CC(NC(=O)NC2=CC=C3C(=C2)CC2=CC=CC=C23)(C(=O)[O-])C1	REAL300013096969	0	43	-2.0	-120.10	363.87	9.94	-110.16
O=C([O-])C1CC(NC(=O)NC2=CC=C3OCCCOC3=C2)(C(=O)[O-])C1	REAL300013097287	0	41	-2.0	-126.28	343.86	5.86	-120.42
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3=NC=CS3)C=C2)(C(=O)[O-])C1	REAL300013097614	0	38	-2.0	-119.41	344.07	6.70	-112.71
CC(C)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013097870	0	41	-2.0	-117.02	339.36	7.72	-109.30
CCCCCC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013098195	0	47	-2.0	-117.32	387.00	9.59	-107.73
CCCC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013098456	0	41	-2.0	-117.18	344.00	8.03	-109.15
CC1=NC2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2O1	REAL300013098902	0	37	-2.0	-121.94	324.71	3.56	-118.38
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3SCCS3)=C2)(C(=O)[O-])C1	REAL300013099180	0	41	-2.0	-126.64	367.85	9.04	-117.60
CC1=NC(C2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)=CS1	REAL300013099475	0	41	-2.0	-122.78	364.05	7.24	-115.54
CSC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013099724	0	36	-2.0	-117.52	319.83	6.83	-110.69
CS(=O)(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013100054	0	38	-2.0	-125.63	341.68	3.45	-122.18
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1CC1=CC=CC=C1	REAL300013100290	0	49	-2.0	-123.35	409.89	9.77	-113.58
O=C([O-])C1CC(NC(=O)NC2=CC(F)=CC(F)=C2)(C(=O)[O-])C1	REAL300013100511	0	32	-2.0	-113.20	292.21	5.98	-107.22
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300013101031	0	38	-2.0	-117.83	335.38	7.45	-110.38
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3=NC4=CC=CC=C4O3)C=C2)(C(=O)[O-])C1	REAL300013101248	0	44	-2.0	-127.59	384.20	6.67	-120.92
C#CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013101445	0	34	-2.0	-121.43	306.42	7.01	-114.42
O=C([O-])C1CC(NC(=O)NC2=CC=C(N3C=CC=N3)C=C2)(C(=O)[O-])C1	REAL300013101759	0	39	-2.0	-116.51	337.96	7.01	-109.50
O=C([O-])C1CC(NC(=O)NC2=CC=C3NC=CC3=C2)(C(=O)[O-])C1	REAL300013102015	0	36	-2.0	-130.83	312.50	5.97	-124.86
O=C([O-])C1CC(NC(=O)NC2=CC=CC(OC(F)(F)F)=C2)(C(=O)[O-])C1	REAL300013102336	0	36	-2.0	-123.69	326.98	5.72	-117.97
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Br	REAL300013102646	0	35	-2.0	-124.15	320.48	7.11	-117.04
COC1=CC=C(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102685	1	40	-2.0	-96.32	361.55	1.42	-94.90
COCC(C)(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102686	1	44	-2.0	-116.78	372.63	0.43	-116.35
CCOCC(C(=O)[O-])N(C)C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013102687	1	47	-2.0	-96.84	388.44	2.18	-94.66
COC1=CC=C(NC(=O)N(CC(=O)[O-])CC(C)C)C=C1[N-]S(C)(=O)=O	REAL300013102688	1	46	-2.0	-100.82	379.66	3.80	-97.02
COC1=CC=C(NC(=O)N(CC(=O)[O-])C2CC2)C=C1[N-]S(C)(=O)=O	REAL300013102689	1	41	-2.0	-115.71	351.94	3.17	-112.54
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCOC2)C=C1[N-]S(C)(=O)=O	REAL300013102690	1	42	-2.0	-112.11	355.90	-0.72	-112.83
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102691	1	50	-2.0	-102.97	399.36	2.93	-100.04
C=CCOCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102692	1	45	-2.0	-109.50	397.14	0.63	-108.87
COC1=CC=C(NC(=O)N2CCCC(O)C2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102693	1	45	-2.0	-124.56	367.71	1.04	-123.52
C=CC(C)C(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102694	1	44	-2.0	-100.74	377.15	1.88	-98.86
COC1=CC=C(NC(=O)N2CCC(C)CC2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102695	1	47	-2.0	-118.97	380.85	4.28	-114.69
COC1=CC=C(NC(=O)NC(C(=O)[O-])C(C)C)C=C1[N-]S(C)(=O)=O	REAL300013102696	1	43	-2.0	-110.93	361.97	1.24	-109.69
COC1=CC=C(NC(=O)N2CCCCC2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102697	1	44	-2.0	-120.61	360.44	3.92	-116.69
COC1=CC=C(NC(=O)N2CCSCC2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102698	1	42	-2.0	-117.25	367.58	2.54	-114.71
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102699	1	47	-2.0	-112.71	380.06	2.95	-109.76
COC1=CC=C(NC(=O)N2CCCC2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102700	1	41	-2.0	-117.87	348.94	2.71	-115.16
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102701	1	44	-2.0	-116.78	365.53	1.87	-114.91
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCCCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102702	1	50	-2.0	-106.27	380.79	3.50	-102.77
COC1=CC=C(NC(=O)NCC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102703	1	34	-2.0	-88.17	303.00	-1.12	-89.29
COC1=CC=C(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1[N-]S(C)(=O)=O	REAL300013102704	1	44	-2.0	-104.21	381.55	2.87	-101.34
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1[N-]S(C)(=O)=O	REAL300013102705	1	44	-2.0	-105.37	381.28	2.84	-102.53
CCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102706	1	40	-2.0	-106.43	350.53	0.84	-105.59
COC1=CC=C(NC(=O)NC(C(=O)[O-])C(C)C)C=C1[N-]S(C)(=O)=O	REAL300013102707	1	43	-2.0	-110.93	361.97	1.24	-109.69
COC1=CC=C(NC(=O)N(C)CC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102708	1	37	-2.0	-98.51	321.68	1.54	-96.97
COC1=CC=C(NC(=O)NC(CO)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102709	1	38	-2.0	-104.70	334.73	-3.45	-108.15
COC1=CC=C(NC(=O)NC(CO)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102710	1	38	-2.0	-104.70	334.73	-3.45	-108.15
COC1=CC=C(NC(=O)NC(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102711	1	37	-2.0	-95.42	328.53	-0.16	-95.58
CCC(C)C(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102712	1	46	-2.0	-111.35	383.64	2.07	-109.28
COC1=CC=C(NC(=O)N(C)CC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102713	1	37	-2.0	-98.51	321.68	1.54	-96.97
COC1=CC=C(NC(=O)N2CCCCC2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102714	1	44	-2.0	-120.61	360.44	3.92	-116.69
CCCC(C)(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102715	1	46	-2.0	-114.02	376.17	1.88	-112.14
COC1=CC=C(NC(=O)N(CC(=O)[O-])C(C)C)C=C1[N-]S(C)(=O)=O	REAL300013102716	1	43	-2.0	-104.84	358.47	2.95	-101.89
COC1=CC=C(NC(=O)N(CC(=O)[O-])C2CC2)C=C1[N-]S(C)(=O)=O	REAL300013102717	1	41	-2.0	-115.71	351.94	3.17	-112.54
C=CCN(CC(=O)[O-])C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013102718	1	41	-2.0	-100.36	356.44	3.09	-97.27
COC1=CC=C(NC(=O)N(CC(=O)[O-])CC(C)C)C=C1[N-]S(C)(=O)=O	REAL300013102719	1	46	-2.0	-100.82	379.66	3.80	-97.02
COC1=CC=C(NC(=O)NC(C)(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102720	1	40	-2.0	-94.70	341.27	0.22	-94.48
COC1=CC=C(NC(=O)NC(C)(C(=O)[O-])C2CC2)C=C1[N-]S(C)(=O)=O	REAL300013102721	1	44	-2.0	-115.05	363.83	1.90	-113.15
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C=C1[N-]S(C)(=O)=O	REAL300013102722	1	41	-2.0	-103.32	373.51	1.90	-101.42
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102723	1	47	-2.0	-112.71	380.06	2.95	-109.76
COC1=CC=C(NC(=O)N(CC(=O)[O-])C(C)C)C=C1[N-]S(C)(=O)=O	REAL300013102724	1	43	-2.0	-104.84	358.47	2.95	-101.89
CCCN(CC(=O)[O-])C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013102725	1	43	-2.0	-113.91	369.63	3.42	-110.49
CCN(CC(=O)[O-])C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013102726	1	40	-2.0	-104.82	348.13	2.66	-102.16
COC1=CC=C(NC(=O)N[C@@H](CO)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102727	1	38	-2.0	-109.74	339.65	-3.32	-113.06
CC[C@H](C)[C@H](NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102728	1	46	-2.0	-102.81	376.86	1.68	-101.13
COC1=CC=C(NC(=O)NC(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102729	1	37	-2.0	-95.42	328.53	-0.16	-95.58
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102730	1	44	-2.0	-116.78	365.53	1.87	-114.91
CCC(C)(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102731	1	43	-2.0	-113.55	354.39	1.15	-112.40
COC1=CC=C(NC(=O)N[C@@H](C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102732	1	37	-2.0	-95.38	328.53	-0.15	-95.53
CCN(CC(=O)[O-])C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013102733	1	40	-2.0	-104.82	348.13	2.66	-102.16
COC1=CC=C(NC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102734	1	42	-2.0	-118.95	361.47	-0.99	-119.94
COC1=CC=C(NC(=O)N[C@H](C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102735	1	37	-2.0	-95.42	328.42	-0.15	-95.57
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC2)C=C1[N-]S(C)(=O)=O	REAL300013102736	1	38	-2.0	-116.53	334.87	0.91	-115.62
COC1=CC=C(NC(=O)N2CCOCC2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102737	1	42	-2.0	-114.60	350.88	1.18	-113.42
COC1=CC=C(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102738	1	50	-2.0	-112.57	389.01	4.36	-108.21
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2CC2)C=C1[N-]S(C)(=O)=O	REAL300013102739	1	41	-2.0	-102.62	355.51	1.27	-101.35
COCCN(CC(=O)[O-])C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013102740	1	44	-2.0	-101.52	375.01	1.71	-99.81
COC1=CC=C(NC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102741	1	41	-2.0	-118.00	350.15	2.41	-115.59
COC1=CC=C(NC(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102742	1	44	-2.0	-118.85	360.13	3.69	-115.16
COC1=CC=C(NC(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102743	1	42	-2.0	-117.61	360.65	-0.71	-118.32
COC1=CC=C(NC(=O)N(C)[C@H](C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102744	1	40	-2.0	-93.36	336.59	1.76	-91.60
COC1=CC=C(NC(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102745	1	41	-2.0	-118.00	348.96	2.70	-115.30
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC2)C=C1[N-]S(C)(=O)=O	REAL300013102746	1	41	-2.0	-113.23	351.67	1.44	-111.79
C=CCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102747	1	41	-2.0	-105.84	363.01	1.30	-104.54
COC1=CC=C(NC(=O)N2CCCC2(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102748	1	44	-2.0	-108.54	361.53	3.12	-105.42
COC1=CC=C(NC(=O)N2CCCCCC2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102749	1	47	-2.0	-120.39	373.06	4.29	-116.10
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2CC2)C=C1[N-]S(C)(=O)=O	REAL300013102750	1	41	-2.0	-102.62	355.51	1.27	-101.35
COC1=CC=C(NC(=O)N(C)C(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102751	1	40	-2.0	-94.96	335.66	1.72	-93.24
CCCCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102752	1	46	-2.0	-101.08	387.79	2.29	-98.79
COC1=CC=C(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102753	1	44	-2.0	-118.59	366.05	3.24	-115.35
COC1=CC=C(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102754	1	50	-2.0	-112.57	389.01	4.36	-108.21
COC1=CC=C(NC(=O)N(CC(=O)[O-])C2CCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102755	1	47	-2.0	-97.99	380.24	4.07	-93.92
COCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102756	1	41	-2.0	-108.85	362.38	-0.92	-109.77
CCCCCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102757	1	49	-2.0	-101.21	410.12	3.05	-98.16
COC1=CC=C(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1[N-]S(C)(=O)=O	REAL300013102758	1	46	-2.0	-107.47	379.71	1.97	-105.50
COC1=CC=C(NC(=O)N(C)C2(C(=O)[O-])CCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102759	1	47	-2.0	-110.26	371.31	3.47	-106.79
COC1=CC=C(NC(=O)N(C(C)C(=O)[O-])C2CC2)C=C1[N-]S(C)(=O)=O	REAL300013102760	1	44	-2.0	-107.67	366.58	3.41	-104.26
CCC(C(=O)[O-])N(C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C1CC1	REAL300013102761	1	47	-2.0	-102.40	386.24	4.36	-98.04
CCCN(CC(=O)[O-])C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013102762	1	43	-2.0	-113.91	369.63	3.42	-110.49
COC1=CC=C(NC(=O)N(C(C)C(=O)[O-])C2CCC2)C=C1[N-]S(C)(=O)=O	REAL300013102763	1	47	-2.0	-96.70	378.03	3.72	-92.98
CCCN(C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(CC)C(=O)[O-]	REAL300013102764	1	49	-2.0	-102.48	394.46	4.84	-97.64
COC1=CC=C(NC(=O)NCC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102765	1	34	-2.0	-88.17	303.00	-1.12	-89.29
COC1=CC=C(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102766	1	46	-2.0	-101.93	384.46	2.03	-99.90
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCOCC2)C=C1[N-]S(C)(=O)=O	REAL300013102767	1	45	-2.0	-109.85	371.48	0.47	-109.38
C=CCCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102768	1	44	-2.0	-106.30	384.00	2.19	-104.11
COC1=CC=C(NC(=O)NC(CF)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102769	1	37	-2.0	-94.88	332.15	-0.14	-95.02
CCC(CC)(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102770	1	46	-2.0	-114.93	371.05	2.01	-112.92
CCC(COC)(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102771	1	47	-2.0	-113.93	384.85	1.19	-112.74
COC1=CC=C(NC(=O)NC(CC2CC2)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102772	1	44	-2.0	-110.77	382.13	2.37	-108.40
COCCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102773	1	44	-2.0	-100.47	379.29	-0.21	-100.68
COC1=CC=C(NC(=O)NC(CC(F)F)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102774	1	40	-2.0	-103.30	362.04	1.14	-102.16
COC1=CC=C(NC(=O)NC(CCF)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102775	1	40	-2.0	-98.60	352.21	0.87	-97.73
COC1=CC=C(NC(=O)N(CC(=O)[O-])C2CCCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102776	1	50	-2.0	-102.61	397.21	4.79	-97.82
COC1=CC=C(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C=C1[N-]S(C)(=O)=O	REAL300013102777	1	50	-2.0	-117.49	393.84	3.33	-114.16
COC1=CC=C(NC(=O)NC(C)(CCF)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102778	1	43	-2.0	-105.01	356.76	1.12	-103.89
COC1=CC=C(NC(=O)N(C)[C@@H](C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102779	1	40	-2.0	-104.02	340.29	1.92	-102.10
COC1=CC=C(NC(=O)N2CC3CC2(C(=O)[O-])C3)C=C1[N-]S(C)(=O)=O	REAL300013102780	1	42	-2.0	-120.18	356.69	3.27	-116.91
COC1=CC=C(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1[N-]S(C)(=O)=O	REAL300013102781	1	46	-2.0	-107.47	379.71	1.97	-105.50
C=C(Cl)CC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102782	1	41	-2.0	-100.24	375.01	1.79	-98.45
C=C(C)CC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102783	1	44	-2.0	-101.01	379.47	1.92	-99.09
COC1=CC=C(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1[N-]S(C)(=O)=O	REAL300013102784	1	45	-2.0	-121.67	371.61	4.08	-117.59
COC1=CC=C(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102785	1	42	-2.0	-117.63	361.39	-0.97	-118.60
COC1=CC=C(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102786	1	41	-2.0	-108.60	361.92	2.87	-105.73
COC1=CC=C(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102787	1	41	-2.0	-114.15	356.71	2.49	-111.66
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2=CC=C(OC)C([N-]S(C)(=O)=O)=C2)C1	REAL300013102788	1	42	-2.0	-118.21	363.17	2.82	-115.39
COC1=CC=C(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102789	1	46	-2.0	-101.93	384.46	2.03	-99.90
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1[N-]S(C)(=O)=O	REAL300013102790	1	44	-2.0	-105.37	381.28	2.84	-102.53
COC1=CC=C(NC(=O)NC(CC2CC2)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102791	1	44	-2.0	-110.77	382.13	2.37	-108.40
COC1=CC=C(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C=C1[N-]S(C)(=O)=O	REAL300013102792	1	41	-2.0	-102.56	351.88	-2.17	-104.73
COC1=CC=C(NC(=O)NC(CSC)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102793	1	41	-2.0	-100.22	368.41	1.17	-99.05
COC[C@H](NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102794	1	41	-2.0	-103.64	357.61	-1.02	-104.66
CC[C@H](NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102795	1	40	-2.0	-101.15	345.62	0.72	-100.43
CCC(C)CC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102796	1	49	-2.0	-102.41	402.66	2.73	-99.68
C=CCCCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102797	1	47	-2.0	-106.50	406.33	2.95	-103.55
COC1=CC=C(NC(=O)N2CCSCC2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102798	1	42	-2.0	-117.25	367.58	2.54	-114.71
COC1=CC=C(NC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102799	1	41	-2.0	-118.00	350.15	2.41	-115.59
CCCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102800	1	43	-2.0	-101.25	367.11	1.49	-99.76
COC1=CC=C(NC(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N-]S(C)(=O)=O	REAL300013102801	1	43	-2.0	-100.23	357.19	1.14	-99.09
COC1=CC=C(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102802	1	45	-2.0	-123.58	372.02	4.25	-119.33
CCN(C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(C)(C)C(=O)[O-]	REAL300013102803	1	46	-2.0	-104.54	370.41	3.28	-101.26
CCCN(C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(C)C(=O)[O-]	REAL300013102804	1	46	-2.0	-113.67	380.87	4.07	-109.60
CCC[C@@H](NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102805	1	43	-2.0	-110.15	372.02	1.60	-108.55
COC1=CC=C(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102806	1	45	-2.0	-117.16	371.73	3.69	-113.47
COC1=CC=C(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1[N-]S(C)(=O)=O	REAL300013102807	1	44	-2.0	-104.21	381.55	2.87	-101.34
COC1=CC=C(NC(=O)N(C)C(C)(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102808	1	43	-2.0	-106.00	350.26	2.54	-103.46
COC1=CC=C(NC(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102809	1	41	-2.0	-118.00	348.96	2.70	-115.30
COC1=CC=C(NC(=O)N[C@@H](CC2=CNC=N2)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102810	1	44	-2.0	-116.52	390.18	1.28	-115.24
CCC(C)CC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102812	1	49	-2.0	-102.41	402.66	2.73	-99.68
C#CCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102813	1	39	-2.0	-100.41	351.88	1.14	-99.27
COC1=CC=C(NC(=O)N(C)C(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102814	1	40	-2.0	-94.96	335.66	1.72	-93.24
COC1=CC=C(NC(=O)NC(CC=C(C)C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102815	1	47	-2.0	-101.57	397.92	2.63	-98.94
COC1=CC=C(NC(=O)N(C)C(CC(C)C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102816	1	49	-2.0	-101.48	398.74	4.19	-97.29
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2=CC=CC=N2)C=C1[N-]S(C)(=O)=O	REAL300013102817	1	43	-2.0	-117.77	382.55	1.44	-116.33
CCCC1(C(=O)[O-])CCCN1C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013102818	1	50	-2.0	-110.67	399.30	5.22	-105.45
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2=CC=CN=C2)C=C1[N-]S(C)(=O)=O	REAL300013102820	1	43	-2.0	-109.39	381.59	1.13	-108.26
C=CCCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102821	1	44	-2.0	-106.30	384.00	2.19	-104.11
CC#CCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102822	1	42	-2.0	-101.21	372.87	2.11	-99.10
COC1=CC=C(NC(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102823	1	44	-2.0	-113.10	366.23	3.24	-109.86
COC1=CC=C(NC(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N-]S(C)(=O)=O	REAL300013102824	1	43	-2.0	-102.03	358.44	1.05	-100.98
COC1=CC=C(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=C1[N-]S(C)(=O)=O	REAL300013102825	1	44	-2.0	-111.45	386.06	2.95	-108.50
COC1=CC=C(NC(=O)N(C)[C@@H](C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102826	1	40	-2.0	-104.02	340.29	1.92	-102.10
CCC[C@H](NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102827	1	43	-2.0	-106.62	372.02	1.60	-105.02
CCN(C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(C)C(=O)[O-]	REAL300013102828	1	43	-2.0	-102.12	357.01	3.12	-99.00
COC1=CC=C(NC(=O)N(CC(=O)[O-])C2CCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102829	1	47	-2.0	-97.99	380.24	4.07	-93.92
CC[C@H](C)[C@H](NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102830	1	46	-2.0	-102.81	376.86	1.68	-101.13
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013102831	1	43	-2.0	-100.70	360.85	2.99	-97.71
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C=C1[N-]S(C)(=O)=O	REAL300013102832	1	45	-2.0	-113.94	379.30	-1.41	-115.35
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC(C)C2)C=C1[N-]S(C)(=O)=O	REAL300013102833	1	47	-2.0	-117.38	386.33	2.51	-114.87
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1[N-]S(C)(=O)=O	REAL300013102834	1	50	-2.0	-119.44	395.78	3.24	-116.20
COCCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102835	1	44	-2.0	-100.47	379.29	-0.21	-100.68
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1[N-]S(C)(=O)=O	REAL300013102836	1	47	-2.0	-117.62	388.09	3.17	-114.45
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2(C)CC2)C=C1[N-]S(C)(=O)=O	REAL300013102837	1	44	-2.0	-102.22	367.07	2.06	-100.16
COC1=CC=C(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102838	1	42	-2.0	-120.26	359.92	-0.79	-121.05
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2CCOC2)C=C1[N-]S(C)(=O)=O	REAL300013102839	1	45	-2.0	-99.74	377.84	-0.22	-99.96
COC1=CC=C(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102840	1	45	-2.0	-121.31	371.32	3.80	-117.51
COC1=CC=C(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1[N-]S(C)(=O)=O	REAL300013102841	1	43	-2.0	-115.55	363.61	1.48	-114.07
COC1=CC=C(NC(=O)N2CC(C)CCC2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102842	1	47	-2.0	-120.49	381.28	4.50	-115.99
COC1=CC=C(NC(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N-]S(C)(=O)=O	REAL300013102843	1	41	-2.0	-119.33	348.41	2.90	-116.43
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2CCC2)C=C1[N-]S(C)(=O)=O	REAL300013102844	1	44	-2.0	-112.69	369.92	1.82	-110.87
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102845	1	50	-2.0	-102.97	399.36	2.93	-100.04
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2CCC2)C=C1[N-]S(C)(=O)=O	REAL300013102846	1	44	-2.0	-112.69	369.92	1.82	-110.87
COC1=CC=C(NC(=O)N2CCC(C)C2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102847	1	44	-2.0	-119.29	369.54	3.28	-116.01
C=CCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102848	1	41	-2.0	-105.84	363.01	1.30	-104.54
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(OC)C2)C=C1[N-]S(C)(=O)=O	REAL300013102849	1	45	-2.0	-113.46	383.26	0.31	-113.15
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1[N-]S(C)(=O)=O	REAL300013102850	1	41	-2.0	-112.68	360.09	1.47	-111.21
COC1=CC=C(NC(=O)N[C@@]2(C(=O)[O-])C[C@@H](OC)C2)C=C1[N-]S(C)(=O)=O	REAL300013102851	1	45	-2.0	-107.59	379.17	0.58	-107.01
CCC1(C(=O)[O-])CCCN1C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013102852	1	47	-2.0	-115.85	375.66	3.99	-111.86
COC1=CC=C(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102853	1	40	-2.0	-96.32	361.55	1.42	-94.90
COC1=CC=C(NC(=O)NC2(C(=O)[O-])COC2)C=C1[N-]S(C)(=O)=O	REAL300013102854	1	39	-2.0	-109.49	342.48	-1.50	-110.99
COC1=CC=C(NC(=O)NC(C)(C(=O)[O-])C(C)C)C=C1[N-]S(C)(=O)=O	REAL300013102855	1	46	-2.0	-114.19	369.58	1.75	-112.44
COC1=CC=C(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102856	1	42	-2.0	-121.28	356.78	3.74	-117.54
COC1=CC=C(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102857	1	45	-2.0	-116.18	372.82	3.49	-112.69
CCC(C(=O)[O-])N(CC)C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013102858	1	46	-2.0	-103.70	372.10	4.06	-99.64
COC1=CC=C(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102859	1	41	-2.0	-114.15	356.71	2.49	-111.66
COC1=CC=C(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102860	1	43	-2.0	-120.89	363.98	3.53	-117.36
COC1=CC=C(NC(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102861	1	47	-2.0	-109.78	376.95	3.51	-106.27
COC1=CC=C(NC(=O)NC(CCC(C)C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102862	1	49	-2.0	-106.58	410.26	2.93	-103.65
COC1=CC=C(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102863	1	48	-2.0	-124.73	396.96	4.16	-120.57
COC1=CC=C(NC(=O)N[C@H](C(=O)[O-])[C@H](C)O)C=C1[N-]S(C)(=O)=O	REAL300013102864	1	41	-2.0	-102.69	356.44	-2.51	-105.20
COC1=CC=C(NC(=O)N[C@@H](CO)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102865	1	38	-2.0	-109.74	339.65	-3.32	-113.06
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1[N-]S(C)(=O)=O	REAL300013102866	1	48	-2.0	-109.61	380.98	3.48	-106.13
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC3CC32)C=C1[N-]S(C)(=O)=O	REAL300013102867	1	45	-2.0	-108.79	368.11	2.57	-106.22
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=C1[N-]S(C)(=O)=O	REAL300013102868	1	48	-2.0	-113.94	394.30	3.07	-110.87
COC1=CC=C(NC(=O)NC(C(=O)[O-])C2CCCC2)C=C1[N-]S(C)(=O)=O	REAL300013102869	1	47	-2.0	-101.94	381.78	2.31	-99.63
COC1=CC=C(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1[N-]S(C)(=O)=O	REAL300013102870	1	44	-2.0	-108.28	380.25	0.11	-108.17
COC1=CC=C(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1[N-]S(C)(=O)=O	REAL300013102871	1	44	-2.0	-118.45	373.26	2.48	-115.97
COC1=CC=C(NC(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102872	1	47	-2.0	-114.68	389.23	3.44	-111.24
COC1=CC=C(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102873	1	41	-2.0	-116.72	360.62	2.84	-113.88
COC1=CC=C(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102874	1	48	-2.0	-121.32	386.58	3.91	-117.41
COCCCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102875	1	47	-2.0	-107.34	404.87	0.70	-106.64
CCCC(C(=O)[O-])N(C)C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013102876	1	46	-2.0	-95.92	377.48	3.47	-92.45
CCOCC(NC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013102877	1	44	-2.0	-104.20	378.98	-0.06	-104.26
COC1=CC=C(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102878	1	49	-2.0	-100.86	396.62	3.14	-97.72
COC1=CC=C(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102879	1	45	-2.0	-115.86	377.75	1.01	-114.85
COC1=CC=C(NC(=O)NC(CCC#N)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102880	1	41	-2.0	-100.09	365.77	1.25	-98.84
COC1=CC=C(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C=C1[N-]S(C)(=O)=O	REAL300013102881	1	44	-2.0	-115.56	383.22	3.57	-111.99
COC1=CC=C(NC(=O)N(C)[C@H](C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013102882	1	40	-2.0	-93.36	336.59	1.76	-91.60
CC1=NC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2O1	REAL300013103118	0	37	-2.0	-123.24	324.62	3.58	-119.66
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C(=O)C3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300013103396	0	44	-2.0	-141.26	377.22	9.18	-132.08
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013103641	0	36	-2.0	-127.27	316.72	5.30	-121.97
CC1=CC2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2N1	REAL300013103939	0	39	-2.0	-126.15	334.36	6.52	-119.63
O=C([O-])C1CC(NC(=O)NC2=CC=C(Br)C(F)=C2)(C(=O)[O-])C1	REAL300013104249	0	32	-2.0	-121.90	307.99	6.60	-115.30
CC(C)OC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013104540	0	42	-2.0	-116.56	349.52	6.71	-109.85
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1F	REAL300013104768	0	35	-2.0	-119.82	307.70	6.64	-113.18
CC1=CC(F)=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013104986	0	35	-2.0	-118.88	307.43	6.55	-112.33
O=C([O-])C1CC(NC(=O)NC2=CC=C(Br)C(Cl)=C2)(C(=O)[O-])C1	REAL300013105231	0	32	-2.0	-120.77	317.10	7.01	-113.76
O=C([O-])C1CC(NC(=O)NC2=CC=CC(OC(F)F)=C2)(C(=O)[O-])C1	REAL300013105543	0	36	-2.0	-126.08	320.24	5.51	-120.57
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3=NNC=C3)C=C2)(C(=O)[O-])C1	REAL300013105873	0	39	-2.0	-124.63	340.30	5.93	-118.70
O=C([O-])C1CC(NC(=O)NC2=CC(F)=CC(Cl)=C2)(C(=O)[O-])C1	REAL300013106173	0	32	-2.0	-111.57	302.77	6.40	-105.17
O=C([O-])C1CC(NC(=O)NC2=CC=C(Cl)C(F)=C2)(C(=O)[O-])C1	REAL300013106592	0	32	-2.0	-122.21	303.58	6.50	-115.71
O=C([O-])C1CC(NC(=O)NC2=CC=C(F)C(Br)=C2)(C(=O)[O-])C1	REAL300013106901	0	32	-2.0	-121.28	308.00	6.60	-114.68
CCOC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013107151	0	39	-2.0	-128.67	332.34	6.15	-122.52
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3=CC=CS3)=C2)(C(=O)[O-])C1	REAL300013107476	0	39	-2.0	-130.07	348.35	8.55	-121.52
COC1=CC=CC=C1C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013107752	0	46	-2.0	-125.67	389.16	8.99	-116.68
O=C([O-])C1CC(NC(=O)NC2=CC=CC(N3C=CC=N3)=C2)(C(=O)[O-])C1	REAL300013108067	0	39	-2.0	-124.55	339.10	7.16	-117.39
O=C([O-])C1CC(NC(=O)NC2=CC=C(F)C(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300013108390	0	35	-2.0	-114.93	325.31	6.98	-107.95
CCS(=O)(=O)NC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013108663	0	43	-2.0	-118.18	374.70	3.41	-114.77
O=C([O-])CN(C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C1CC1	REAL300013108699	1	44	-2.0	-107.17	380.94	7.01	-100.16
CC(C)C(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108700	1	46	-2.0	-122.64	394.66	5.27	-117.37
O=C([O-])C1CCCN1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108701	1	44	-2.0	-111.03	378.41	6.51	-104.52
O=C([O-])CNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108702	1	37	-2.0	-107.92	336.92	2.82	-105.10
CCC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108703	1	43	-2.0	-133.54	379.54	4.67	-128.87
CC(C)C(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108704	1	46	-2.0	-122.64	394.66	5.27	-117.37
CN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108705	1	40	-2.0	-99.45	355.34	5.52	-93.93
O=C([O-])C(CO)NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108706	1	41	-2.0	-136.36	368.66	0.49	-135.87
O=C([O-])C(CO)NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108707	1	41	-2.0	-136.36	368.66	0.49	-135.87
CC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108708	1	40	-2.0	-110.76	357.71	3.64	-107.12
CN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108709	1	40	-2.0	-99.45	355.34	5.52	-93.93
CC(C)N(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108710	1	46	-2.0	-105.63	387.59	6.76	-98.87
O=C([O-])CN(C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C1CC1	REAL300013108711	1	44	-2.0	-107.17	380.94	7.01	-100.16
C=CCN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108712	1	44	-2.0	-104.95	389.96	7.05	-97.90
CC(C)(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108713	1	43	-2.0	-105.60	370.28	4.04	-101.56
CC(C)N(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108714	1	46	-2.0	-105.63	387.59	6.76	-98.87
CCCN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108715	1	46	-2.0	-105.03	398.65	7.25	-97.78
CCN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108716	1	43	-2.0	-99.41	377.15	6.49	-92.92
O=C([O-])[C@H](CO)NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108717	1	41	-2.0	-136.36	368.66	0.49	-135.87
CC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108718	1	40	-2.0	-110.76	357.71	3.64	-107.12
CCC(C)(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108719	1	46	-2.0	-107.08	383.41	4.97	-102.11
C[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108720	1	40	-2.0	-110.65	357.55	3.67	-106.98
CCN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108721	1	43	-2.0	-99.41	377.15	6.49	-92.92
C[C@@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108722	1	40	-2.0	-91.58	358.06	3.59	-87.99
O=C([O-])C1(NC(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3)=C2)CC1	REAL300013108723	1	41	-2.0	-139.37	363.61	4.77	-134.60
O=C([O-])C(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C1CC1	REAL300013108724	1	44	-2.0	-134.34	386.46	5.15	-129.19
O=C([O-])[C@H]1CCCN1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108725	1	44	-2.0	-146.61	380.37	6.17	-140.44
C[C@H](C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108726	1	43	-2.0	-94.94	370.24	5.74	-89.20
O=C([O-])[C@@H]1CCCN1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108727	1	44	-2.0	-111.78	378.00	6.52	-105.26
O=C([O-])C1(NC(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3)=C2)CCC1	REAL300013108728	1	44	-2.0	-134.97	380.67	5.28	-129.69
C=CCC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108729	1	44	-2.0	-132.98	392.02	5.13	-127.85
O=C([O-])C(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C1CC1	REAL300013108730	1	44	-2.0	-134.34	386.46	5.15	-129.19
CC(C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108731	1	43	-2.0	-98.95	369.18	5.69	-93.26
COCC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108732	1	44	-2.0	-135.20	391.40	2.89	-132.31
CCCN(CC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108733	1	46	-2.0	-105.03	398.65	7.25	-97.78
O=C([O-])CNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108734	1	37	-2.0	-107.92	336.92	2.82	-105.10
O=C([O-])C(CF)NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108735	1	40	-2.0	-109.91	361.16	3.68	-106.23
O=C([O-])C(CCF)NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108736	1	43	-2.0	-130.28	386.13	4.81	-125.47
C[C@@H](C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108737	1	43	-2.0	-99.09	369.31	5.75	-93.34
C[C@@H](O)[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108738	1	44	-2.0	-135.17	386.29	1.77	-133.40
COC[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108739	1	44	-2.0	-135.12	390.91	2.90	-132.22
CC[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108740	1	43	-2.0	-131.59	379.28	4.69	-126.90
O=C([O-])[C@H]1CCCN1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108741	1	44	-2.0	-146.61	380.37	6.17	-140.44
CCCC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108742	1	46	-2.0	-133.52	401.04	5.43	-128.09
CC(C)[C@@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108743	1	46	-2.0	-122.69	394.67	5.27	-117.42
CCC[C@@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108744	1	46	-2.0	-123.09	401.04	5.42	-117.67
CN(C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(C)(C)C(=O)[O-]	REAL300013108745	1	46	-2.0	-109.54	383.91	6.51	-103.03
O=C([O-])[C@@H]1CCCN1C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108746	1	44	-2.0	-111.78	378.00	6.52	-105.26
C#CCC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108747	1	42	-2.0	-132.22	385.81	5.08	-127.14
CC(C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108748	1	43	-2.0	-98.95	369.18	5.69	-93.26
CC(C)[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108749	1	46	-2.0	-133.94	390.67	4.98	-128.96
C[C@@H](C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108750	1	43	-2.0	-99.09	369.31	5.75	-93.34
CCC[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108751	1	46	-2.0	-131.48	400.77	5.46	-126.02
CCN(C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300013108752	1	46	-2.0	-128.26	390.85	7.09	-121.17
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108753	1	46	-2.0	-120.65	390.70	6.83	-113.82
CN(C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C1(C(=O)[O-])CC1	REAL300013108754	1	44	-2.0	-143.13	377.28	6.76	-136.37
C=CCC(NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108755	1	44	-2.0	-132.98	392.02	5.13	-127.85
O=C([O-])C1(NC(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3)=C2)COC1	REAL300013108756	1	42	-2.0	-126.46	371.52	2.32	-124.14
C[C@H](O)[C@H](NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013108757	1	44	-2.0	-127.38	383.49	1.20	-126.18
O=C([O-])[C@H](CO)NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108758	1	41	-2.0	-136.36	368.66	0.49	-135.87
C[C@H](C(=O)[O-])N(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013108759	1	43	-2.0	-94.94	370.24	5.74	-89.20
O=C([O-])C1CC(NC(=O)NC2=CC=CC(OCC3CCCO3)=C2)(C(=O)[O-])C1	REAL300013109010	0	47	-2.0	-134.12	389.42	6.62	-127.50
O=C([O-])C1CC(NC(=O)NC2=CC=CC(OCC3=CC=CN=C3)=C2)(C(=O)[O-])C1	REAL300013109464	0	45	-2.0	-130.86	387.09	7.43	-123.43
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC3CCCC3)C=C2)(C(=O)[O-])C1	REAL300013109776	0	46	-2.0	-116.76	374.08	8.04	-108.72
CC(C)COC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013110097	0	45	-2.0	-128.91	373.95	7.65	-121.26
CCCOC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013110398	0	42	-2.0	-128.59	353.83	6.94	-121.65
O=C([O-])C1CC(NC(=O)NC2=CC=C(CN3C=CC=N3)C=C2)(C(=O)[O-])C1	REAL300013110729	0	42	-2.0	-123.74	363.39	7.47	-116.27
CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300013111059	0	39	-2.0	-125.40	348.37	6.71	-118.69
CCCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300013111373	0	42	-2.0	-124.97	369.87	7.51	-117.46
CCOC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC	REAL300013111870	0	43	-2.0	-122.29	361.59	6.04	-116.25
O=C([O-])C1CC(NC(=O)NC2=CC=CC(CN3C=CC=N3)=C2)(C(=O)[O-])C1	REAL300013112175	0	42	-2.0	-125.73	364.79	7.58	-118.15
O=C([O-])C1CC(NC(=O)NC2=CC=CC(COCC3=CC=CO3)=C2)(C(=O)[O-])C1	REAL300013112430	0	46	-2.0	-128.37	398.57	7.77	-120.60
COCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013112675	0	39	-2.0	-124.14	336.05	5.66	-118.48
CCOCCOCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013112958	0	49	-2.0	-126.84	413.39	6.84	-120.00
COCCOCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013113261	0	46	-2.0	-126.75	391.53	5.88	-120.87
COCCOC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC	REAL300013113620	0	47	-2.0	-124.16	395.21	5.36	-118.80
COCCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013113934	0	43	-2.0	-120.20	364.61	5.30	-114.90
COCCOC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013114259	0	43	-2.0	-131.66	365.96	5.43	-126.23
O=C([O-])C1CC(NC(=O)NC2=CC=CC(N3CCCS3(=O)=O)=C2)(C(=O)[O-])C1	REAL300013114498	0	44	-2.0	-137.25	377.56	4.43	-132.82
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Br	REAL300013114748	0	36	-2.0	-119.40	330.90	5.89	-113.51
CCC(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013115036	0	40	-2.0	-138.63	344.10	7.21	-131.42
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300013115364	0	38	-2.0	-135.43	336.50	6.68	-128.75
COC1=C(F)C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013115690	0	36	-2.0	-119.00	327.26	5.44	-113.56
CCC1=NC2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2O1	REAL300013115998	0	40	-2.0	-131.94	346.23	4.34	-127.60
O=C([O-])C1CC(NC(=O)NC2=CC=C3OC(C4CC4)=NC3=C2)(C(=O)[O-])C1	REAL300013116302	0	41	-2.0	-132.91	356.13	5.16	-127.75
CC(C)(C)C1=NC2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2O1	REAL300013116581	0	46	-2.0	-132.33	386.45	5.51	-126.82
CC(C)C1=NC2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2O1	REAL300013116871	0	43	-2.0	-132.05	367.04	4.94	-127.11
O=C([O-])C1CC(NC(=O)NC2=CC=C(OCC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300013117164	0	39	-2.0	-118.40	350.56	6.49	-111.91
O=C([O-])C1CC(NC(=O)NC2=CC=C(SC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300013117451	0	36	-2.0	-111.68	336.01	7.27	-104.41
CC1=CC=C(OC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)C=C1	REAL300013117719	0	46	-2.0	-117.59	389.41	9.34	-108.25
CC1=NN(C2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2F)C(C)=C1	REAL300013118308	0	45	-2.0	-120.35	389.28	8.34	-112.01
CC1=NN=NN1C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013118927	0	40	-2.0	-141.33	348.36	5.95	-135.38
CC1=CC(C)=NN1C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013119234	0	45	-2.0	-140.58	380.16	8.12	-132.46
O=C([O-])C1CC(NC(=O)NC2=CC3=C(C=C2)C2=C(C=CC=C2)O3)(C(=O)[O-])C1	REAL300013119535	0	41	-2.0	-123.98	355.20	8.64	-115.34
O=C([O-])C1CC(NC(=O)NC2=CC=C(SC(F)F)C=C2)(C(=O)[O-])C1	REAL300013119852	0	36	-2.0	-116.22	329.43	7.07	-109.15
O=C([O-])C1CC(NC(=O)NC2=CC=C3OCCOC3=C2)(C(=O)[O-])C1	REAL300013120149	0	38	-2.0	-117.42	323.68	4.97	-112.45
O=C([O-])C1CC(NC(=O)NC2=CC=C(Br)C=C2)(C(=O)[O-])C1	REAL300013120594	0	32	-2.0	-113.57	300.91	6.43	-107.14
O=C([O-])C1CC(NC(=O)NC2=CC=CC(Br)=C2)(C(=O)[O-])C1	REAL300013120925	0	32	-2.0	-123.43	302.29	6.55	-116.88
COC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013121315	0	36	-2.0	-128.26	310.48	5.23	-123.03
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300013121526	0	38	-2.0	-124.19	320.06	7.16	-117.03
CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013121949	0	39	-2.0	-117.68	330.99	6.03	-111.65
O=C([O-])C1CC(NC(=O)NC2=CC=CC([N+](=O)[O-])=C2)(C(=O)[O-])C1	REAL300013122206	0	34	-2.0	-132.52	309.20	6.60	-125.92
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300013122504	0	37	-2.0	-116.46	325.02	7.11	-109.35
O=C([O-])C1CC(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)(C(=O)[O-])C1	REAL300013122832	0	32	-2.0	-120.97	312.89	6.91	-114.06
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013123224	0	36	-2.0	-117.81	309.13	5.10	-112.71
O=C([O-])C1CC(NC(=O)NC2=CC=CC(Cl)=C2)(C(=O)[O-])C1	REAL300013123446	0	32	-2.0	-123.61	297.72	6.44	-117.17
CSC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013123870	0	36	-2.0	-128.29	321.20	6.95	-121.34
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300013124126	0	35	-2.0	-124.26	316.45	7.03	-117.23
NS(=O)(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013124435	0	37	-2.0	-120.43	333.33	0.77	-119.66
O=C([O-])C1CC(NC(=O)NC2=CC=C(Cl)C=C2)(C(=O)[O-])C1	REAL300013124660	0	32	-2.0	-113.62	296.35	6.33	-107.29
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300013124979	0	35	-2.0	-117.63	319.70	6.93	-110.70
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300013125291	0	44	-2.0	-122.18	373.26	5.04	-117.14
CC(C)(C)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013125582	0	44	-2.0	-117.55	355.77	8.13	-109.42
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC3=CC=CC=C3)C=C2)(C(=O)[O-])C1	REAL300013125898	0	43	-2.0	-116.74	368.79	8.67	-108.07
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3=CC=CC=C3)C=C2)(C(=O)[O-])C1	REAL300013126325	0	42	-2.0	-118.86	353.78	9.23	-109.63
O=C([O-])C1CC(NC(=O)NC2=CC(Cl)=CC(Cl)=C2)(C(=O)[O-])C1	REAL300013126650	0	32	-2.0	-112.60	312.84	6.86	-105.74
CCCCC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013127252	0	44	-2.0	-117.24	365.50	8.81	-108.43
CC(C)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013127513	0	41	-2.0	-117.35	339.81	7.73	-109.62
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300013127836	0	36	-2.0	-112.04	325.63	5.60	-106.44
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013128111	0	43	-2.0	-135.34	376.46	3.92	-131.42
O=C([O-])C1CC(NC(=O)NC2=CC=CC(OC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300013128413	0	43	-2.0	-128.78	369.52	8.79	-119.99
CC(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013128663	0	37	-2.0	-138.45	323.79	6.42	-132.03
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Br	REAL300013128976	0	35	-2.0	-119.93	320.46	7.11	-112.82
O=C([O-])C1CC(NC(=O)NC2=CC=C(F)C(F)=C2)(C(=O)[O-])C1	REAL300013129208	0	32	-2.0	-122.74	293.70	6.04	-116.70
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300013129502	0	40	-2.0	-122.39	339.73	5.13	-117.26
O=C([O-])C1CC(NC(=O)NC2=CC=C(F)C(Cl)=C2)(C(=O)[O-])C1	REAL300013129801	0	32	-2.0	-121.30	303.58	6.49	-114.81
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(OC)=C1	REAL300013130102	0	40	-2.0	-122.02	338.35	4.44	-117.58
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C)=C1	REAL300013130323	0	38	-2.0	-118.32	322.43	7.15	-111.17
O=C([O-])C1CC(NC(=O)NC2=CC=C(C(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300013130640	0	35	-2.0	-112.95	318.34	6.81	-106.14
CCC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013130861	0	38	-2.0	-117.37	322.51	7.25	-110.12
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013131078	0	35	-2.0	-118.41	307.70	6.63	-111.78
O=C([O-])C1CC(NC(=O)NC2=CC=C(Cl)C(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300013131704	0	35	-2.0	-114.96	332.87	7.35	-107.61
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300013132009	0	36	-2.0	-125.50	326.52	5.77	-119.73
CCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013132231	0	38	-2.0	-122.81	323.88	7.37	-115.44
CC1=CC(Br)=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013132668	0	35	-2.0	-117.29	322.32	7.10	-110.19
O=C([O-])C1CC(NC(=O)NC2=NN(CC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300013132963	0	35	-2.0	-124.28	322.15	6.05	-118.23
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3CCC3)C=C2)(C(=O)[O-])C1	REAL300013133261	0	42	-2.0	-122.87	347.20	8.49	-114.38
CC1=COC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C12	REAL300013133564	0	38	-2.0	-127.22	330.36	6.95	-120.27
CS(=O)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013134422	0	37	-2.0	-142.64	337.72	4.70	-137.94
O=C([O-])C1CC(NC(=O)NC2=CC=C3CCS(=O)(=O)C3=C2)(C(=O)[O-])C1	REAL300013134731	0	39	-2.0	-140.92	343.86	3.71	-137.21
CC1=C(C)C2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2O1	REAL300013135048	0	41	-2.0	-122.00	350.00	7.65	-114.35
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300013135364	0	46	-2.0	-122.48	379.43	6.66	-115.82
CN1C=CC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C21	REAL300013135654	0	39	-2.0	-128.11	334.80	7.69	-120.42
O=C([O-])C1CC(NC(=O)NC2=CC=C(CCC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300013135964	0	41	-2.0	-117.23	362.13	8.42	-108.81
O=C([O-])C1CC(NC(=O)NC2=CC=C(N3N=CC4=CC=CC=C43)C=C2)(C(=O)[O-])C1	REAL300013136195	0	45	-2.0	-126.68	385.33	9.18	-117.50
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C)=C1Br	REAL300013136455	0	38	-2.0	-114.65	337.27	7.57	-107.08
CCOC1=C(Cl)C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300013136696	0	39	-2.0	-113.08	366.97	7.29	-105.79
C=CCN(C(=O)[N-]C1=NC=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013136893	1	38	-2.0	-107.52	332.99	8.80	-98.72
CC(C)N(C(=O)[N-]C1=NC=CS1)C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300013136894	1	37	-2.0	-109.60	334.06	9.27	-100.33
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)[N-]C1=NC=CS1	REAL300013136895	1	31	-2.0	-119.78	307.80	5.48	-114.30
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)[N-]C1=NC=CS1	REAL300013136896	1	37	-2.0	-124.13	336.02	7.15	-116.98
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=CS1	REAL300013136897	1	34	-2.0	-116.14	305.22	7.92	-108.22
O=C([O-])C(NC(=O)[N-]C1=NC=CS1)C1=CC2=CC=CC=C2C=C1	REAL300013136898	1	34	-2.0	-127.64	315.85	6.56	-121.08
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=CS1	REAL300013136899	1	37	-2.0	-113.14	315.42	7.92	-105.22
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)[N-]C1=NC=CS1	REAL300013136900	1	31	-2.0	-112.90	325.82	6.18	-106.72
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC=CS1	REAL300013136901	1	35	-2.0	-125.15	309.36	8.50	-116.65
O=C([O-])C(NC(=O)[N-]C1=NC=CS1)C1=CC=C(F)C(F)=C1	REAL300013136902	1	28	-2.0	-113.89	282.82	4.34	-109.55
O=C([O-])C(NC(=O)[N-]C1=NC=CS1)C1=CC=C(Cl)C(F)=C1	REAL300013136903	1	28	-2.0	-114.64	292.71	4.79	-109.85
COC1=CC=C(C(NC(=O)[N-]C2=NC=CS2)C(=O)[O-])C=C1Br	REAL300013136904	1	32	-2.0	-120.45	320.03	4.19	-116.26
CC1=CC(C(NC(=O)[N-]C2=NC=CS2)C(=O)[O-])=CC=C1F	REAL300013136905	1	31	-2.0	-117.42	296.86	4.91	-112.51
O=C([O-])C(NC(=O)[N-]C1=NC=CS1)C1=CC=C2OCCC2=C1	REAL300013136906	1	33	-2.0	-122.95	305.80	4.14	-118.81
CC1=CC(C(NC(=O)[N-]C2=NC=CS2)C(=O)[O-])=CC(C)=C1	REAL300013136907	1	34	-2.0	-126.91	312.94	5.55	-121.36
CC1=CC=C(C(NC(=O)[N-]C2=NC=CS2)C(=O)[O-])C=C1C	REAL300013136908	1	34	-2.0	-126.50	308.34	5.50	-121.00
COC1=CC=C(C(NC(=O)[N-]C2=NC=CS2)C(=O)[O-])C=C1O	REAL300013136909	1	33	-2.0	-122.08	310.40	1.34	-120.74
COC1=CC=C(C(NC(=O)[N-]C2=NC=CS2)C(=O)[O-])C=C1Cl	REAL300013136910	1	32	-2.0	-120.29	315.64	4.08	-116.21
O=C([O-])C(NC(=O)[N-]C1=NC=CS1)C1=CC=C(Cl)C=C1	REAL300013136911	1	28	-2.0	-117.46	286.85	4.74	-112.72
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)[N-]C1=NC=CS1)C(=O)[O-]	REAL300013136912	1	41	-2.0	-120.80	368.14	6.47	-114.33
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC=CS1	REAL300013136913	1	32	-2.0	-133.40	284.62	7.69	-125.71
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC=CS1	REAL300013136914	1	31	-2.0	-106.17	303.71	7.49	-98.68
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC=CS1	REAL300013136915	1	35	-2.0	-123.93	320.61	5.25	-118.68
COC1=CC(CN(CC(=O)[O-])C(=O)[N-]C2=NC=CS2)=CC(OC)=C1	REAL300013136916	1	39	-2.0	-120.66	351.94	5.87	-114.79
O=C([O-])C(NC(=O)[N-]C1=NC=CS1)C1=CC=C(Br)C=C1	REAL300013136917	1	28	-2.0	-117.51	291.41	4.84	-112.67
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC=CS1	REAL300013136918	1	31	-2.0	-105.76	293.39	7.04	-98.72
O=C([O-])C1(NC(=O)[N-]C2=NC=CS2)CC2=CC=CC=C2C1	REAL300013136919	1	32	-2.0	-127.92	288.10	5.37	-122.55
CN(C(=O)[N-]C1=NC=CS1)C(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013136920	1	31	-2.0	-109.01	315.28	7.29	-101.72
O=C([O-])C(NC(=O)[N-]C1=NC=CS1)C1=CC(F)=CC=C1F	REAL300013136921	1	28	-2.0	-123.34	281.00	4.38	-118.96
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)[N-]C1=NC=CS1	REAL300013136922	1	32	-2.0	-117.74	315.10	5.12	-112.62
O=C([O-])C(NC(=O)[N-]C1=NC=CS1)C1=CC=C(Cl)C=C1	REAL300013136923	1	28	-2.0	-117.46	286.85	4.74	-112.72
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=CS1	REAL300013136924	1	34	-2.0	-116.46	315.43	8.04	-108.42
O=C([O-])C1(NC(=O)[N-]C2=NC=CS2)CCC2=CC=CC=C21	REAL300013136925	1	32	-2.0	-132.43	284.85	5.27	-127.16
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC=CS1	REAL300013136926	1	35	-2.0	-124.83	326.07	5.16	-119.67
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=CS1	REAL300013136927	1	34	-2.0	-116.46	315.43	8.04	-108.42
CC(NC(=O)[N-]C1=NC=CS1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013136928	1	31	-2.0	-116.49	310.16	5.95	-110.54
CC(C1=CC=CC(Br)=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=CS1	REAL300013136929	1	34	-2.0	-119.25	322.34	8.49	-110.76
O=C([O-])C(NC(=O)[N-]C1=NC=CS1)C1=CC=CC=C1Cl	REAL300013136930	1	28	-2.0	-124.86	282.12	4.65	-120.21
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC=CS1	REAL300013136931	1	32	-2.0	-124.09	287.06	7.03	-117.06
CC1=CC=CC(C(NC(=O)[N-]C2=NC=CS2)C(=O)[O-])=C1C	REAL300013136932	1	34	-2.0	-125.85	300.14	5.25	-120.60
COC1=CC=C(C(NC(=O)[N-]C2=NC=CS2)C(=O)[O-])C=C1F	REAL300013136933	1	32	-2.0	-120.00	305.24	3.64	-116.36
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COC1=CC=CC([C@H](NC(=O)[N-]C2=NC=CS2)C(=O)[O-])=C1	REAL300013136944	1	32	-2.0	-126.44	299.63	3.50	-122.94
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CC1(C2=CC=C(Br)C=C2)CC1(NC(=O)[N-]C1=NC=CS1)C(=O)[O-]	REAL300013136946	1	35	-2.0	-124.22	335.07	7.06	-117.16
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CC(NC(=O)[N-]C1=NC=CS1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300013136961	1	31	-2.0	-122.82	299.55	5.58	-117.24
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=CS1	REAL300013136966	1	34	-2.0	-113.28	298.23	7.28	-106.00
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC=CS1	REAL300013136968	0	32	-2.0	-128.84	288.52	8.16	-120.68
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC=CS2)[C@H]1C(=O)[O-]	REAL300013136969	0	35	-2.0	-118.56	299.24	7.49	-111.07
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC=CS1	REAL300013136970	1	33	-2.0	-116.32	310.27	4.17	-112.15
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CCN(C(=O)[N-]C1=NC=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013136976	1	37	-2.0	-124.39	317.97	8.35	-116.04
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=CS1	REAL300013136990	1	34	-2.0	-113.28	298.23	7.28	-106.00
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CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC=CS2)C(=O)[O-])C=C1	REAL300013137003	1	37	-2.0	-124.44	330.39	6.15	-118.29
CCOC1=CC=C(C(NC(=O)[N-]C2=NC=CS2)C(=O)[O-])C=C1	REAL300013137004	1	35	-2.0	-121.72	321.24	4.51	-117.21
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CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC=CS1)C(=O)[O-]	REAL300013137006	1	35	-2.0	-125.32	312.57	5.22	-120.10
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CC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=N1	REAL300013137558	1	38	-2.0	-127.05	329.11	8.66	-118.39
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300013137559	1	31	-2.0	-109.35	302.61	4.49	-104.86
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300013137560	1	31	-2.0	-109.99	312.50	4.94	-105.05
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=N1	REAL300013137561	1	34	-2.0	-112.31	316.36	5.15	-107.16
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300013137562	1	36	-2.0	-117.63	325.80	4.21	-113.42
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300013137563	1	37	-2.0	-121.39	332.68	5.70	-115.69
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=N1	REAL300013137564	1	37	-2.0	-121.06	328.09	5.66	-115.40
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1O	REAL300013137565	1	36	-2.0	-116.84	330.14	1.50	-115.34
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1Cl	REAL300013137566	1	35	-2.0	-115.50	335.43	4.23	-111.27
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013137567	1	31	-2.0	-112.34	306.35	4.99	-107.35
CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013137568	1	34	-2.0	-113.38	311.27	5.34	-108.04
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013137569	1	34	-2.0	-114.80	312.75	7.42	-107.38
CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013137570	1	34	-2.0	-113.38	311.27	5.34	-108.04
CC1=CSC([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300013137571	1	35	-2.0	-126.31	304.73	7.85	-118.46
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=N1	REAL300013137572	1	34	-2.0	-109.75	329.50	7.94	-101.81
CC1=CSC([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013137573	1	38	-2.0	-119.09	340.34	5.43	-113.66
COC1=CC(CN(CC(=O)[O-])C(=O)[N-]C2=NC(C)=CS2)=CC(OC)=C1	REAL300013137574	1	42	-2.0	-118.95	371.75	6.03	-112.92
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300013137575	1	31	-2.0	-112.32	310.91	5.09	-107.23
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300013137576	1	34	-2.0	-109.36	319.18	7.49	-101.87
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013137577	1	35	-2.0	-121.87	307.84	5.47	-116.40
CC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300013137578	1	34	-2.0	-102.55	331.70	7.31	-95.24
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300013137579	1	31	-2.0	-118.08	300.75	4.54	-113.54
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013137580	1	34	-2.0	-120.76	297.98	5.09	-115.67
CCCCCCC(C)(NC(=O)[N-]C1=NC(C)=CS1)C(=O)[O-]	REAL300013137581	1	42	-2.0	-115.35	343.86	5.68	-109.67
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)=N1	REAL300013137582	1	35	-2.0	-116.41	334.84	5.28	-111.13
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013137583	1	31	-2.0	-112.34	306.35	4.99	-107.35
CC1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013137584	1	37	-2.0	-114.72	335.17	8.20	-106.52
CC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013137585	1	34	-2.0	-113.07	299.43	6.36	-106.71
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300013137586	1	35	-2.0	-125.81	304.58	5.35	-120.46
CC1=CSC([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013137587	1	38	-2.0	-119.13	345.81	5.32	-113.81
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300013137588	1	32	-2.0	-118.27	300.93	1.52	-116.75
CC1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013137589	1	37	-2.0	-114.72	335.17	8.20	-106.52
CCC1CCC(NC(=O)[N-]C2=NC(C)=CS2)(C(=O)[O-])CC1	REAL300013137590	1	40	-2.0	-118.93	322.30	5.68	-113.25
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300013137591	1	34	-2.0	-111.42	329.88	6.07	-105.35
CC1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC(Br)=C2)=N1	REAL300013137592	1	37	-2.0	-110.55	345.81	8.90	-101.65
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300013137593	1	31	-2.0	-119.25	300.65	4.85	-114.40
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300013137594	1	31	-2.0	-122.98	294.05	4.54	-118.44
CC1=CSC([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013137595	1	35	-2.0	-118.52	306.88	7.19	-111.33
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=N1	REAL300013137596	1	37	-2.0	-120.30	320.63	5.51	-114.79
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1F	REAL300013137597	1	35	-2.0	-115.54	325.38	3.83	-111.71
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013137598	1	37	-2.0	-108.58	351.50	8.42	-100.16
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)=N1	REAL300013137599	1	34	-2.0	-110.72	334.06	8.03	-102.69
CCCN(C(=O)[N-]C1=NC(C)=CS1)C(COC)C(=O)[O-]	REAL300013137600	1	37	-2.0	-109.71	313.99	4.82	-104.89
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1	REAL300013137601	1	35	-2.0	-116.66	319.16	3.76	-112.90
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)=N1	REAL300013137602	1	34	-2.0	-113.47	299.71	0.41	-113.06
CCC(NC(=O)[N-]C1=NC(C)=CS1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013137603	1	37	-2.0	-115.83	331.39	6.48	-109.35
CCC(NC(=O)[N-]C1=NC(C)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013137604	1	37	-2.0	-122.14	314.70	5.96	-116.18
COC1CCCC(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C1	REAL300013137605	1	41	-2.0	-118.59	339.94	3.51	-115.08
COC1(CC(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])CCC1	REAL300013137606	1	38	-2.0	-116.40	323.69	3.64	-112.76
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC(C)=CS2)=C1	REAL300013137607	1	38	-2.0	-115.49	328.94	5.66	-109.83
COC1=CC=CC(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])=C1	REAL300013137608	1	35	-2.0	-120.83	319.17	3.75	-117.08
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)=N1	REAL300013137609	1	31	-2.0	-118.57	305.00	4.88	-113.69
CC1=CSC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300013137610	1	32	-2.0	-114.90	289.47	5.32	-109.58
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])=C1	REAL300013137611	1	35	-2.0	-120.65	318.76	3.71	-116.94
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C)=CS2)C1	REAL300013137612	1	37	-2.0	-119.78	321.08	6.27	-113.51
COC1=CC=CC(CC(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])=C1	REAL300013137613	1	38	-2.0	-116.40	341.36	4.69	-111.71
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300013137614	1	40	-2.0	-120.50	311.16	5.30	-115.20
CC1=CSC([N-]C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])=N1	REAL300013137615	1	31	-2.0	-113.11	316.19	5.09	-108.02
CC1=CSC([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=N1	REAL300013137616	1	37	-2.0	-112.94	332.03	5.94	-107.00
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300013137617	1	36	-2.0	-120.27	326.19	5.76	-114.51
CC1=CSC([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300013137618	1	38	-2.0	-114.22	320.65	3.89	-110.33
CC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=C(Br)S2)=N1	REAL300013137619	1	31	-2.0	-103.23	313.65	6.06	-97.17
CC1=CSC([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013137620	1	37	-2.0	-112.74	321.71	5.49	-107.25
CC1=CSC([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300013137621	1	38	-2.0	-112.42	324.35	3.14	-109.28
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300013137622	1	34	-2.0	-114.17	328.36	5.45	-108.72
CC1=CSC([N-]C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300013137623	1	38	-2.0	-108.89	357.25	5.14	-103.75
CC1=CSC([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])=N1	REAL300013137624	1	30	-2.0	-111.55	298.71	2.47	-109.08
CC1=CSC([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300013137625	1	37	-2.0	-116.59	341.48	5.84	-110.75
CC1=CSC([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013137626	1	34	-2.0	-109.37	318.27	5.45	-103.92
CC1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013137627	1	34	-2.0	-109.41	318.27	5.45	-103.96
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=N1	REAL300013137628	1	37	-2.0	-126.90	330.61	6.53	-120.37
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300013137629	1	35	-2.0	-120.39	333.22	4.35	-116.04
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013137630	1	34	-2.0	-120.76	297.98	5.09	-115.67
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300013137631	1	34	-2.0	-117.86	319.26	5.70	-112.16
CC1=CSC([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013137632	1	36	-2.0	-113.03	311.60	5.90	-107.13
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013137633	1	34	-2.0	-110.67	328.35	5.46	-105.21
CC1=CSC([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])=N1	REAL300013137634	1	37	-2.0	-110.90	316.97	7.26	-103.64
CC1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013137635	1	33	-2.0	-110.74	307.28	3.54	-107.20
CC1=CSC([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])=N1	REAL300013137636	1	37	-2.0	-107.47	318.50	4.65	-102.82
CC1=CSC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013137637	1	37	-2.0	-110.82	317.52	7.38	-103.44
CC1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013137639	1	33	-2.0	-110.74	307.28	3.54	-107.20
CC1=CSC([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=N1	REAL300013137641	0	35	-2.0	-123.02	308.25	8.28	-114.74
CC1=CSC([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])=N1	REAL300013137642	0	38	-2.0	-117.31	318.94	7.75	-109.56
CC1=CSC([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013137643	1	36	-2.0	-111.45	330.01	4.32	-107.13
CC1=CSC([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300013137644	1	30	-2.0	-112.80	298.68	2.31	-110.49
CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300013137645	1	34	-2.0	-114.58	330.41	5.63	-108.95
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C(Br)=C2)=N1	REAL300013137646	1	32	-2.0	-113.97	321.09	2.28	-111.69
CC1=CSC([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300013137647	1	31	-2.0	-105.59	317.95	4.19	-101.40
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)=N1	REAL300013137648	1	28	-2.0	-110.88	302.17	4.08	-106.80
CC1=CSC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300013137649	1	34	-2.0	-119.77	303.68	3.66	-116.11
CC1=CSC([N-]C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])=N1	REAL300013137650	1	45	-2.0	-116.60	402.52	8.22	-108.38
CCN(C(=O)[N-]C1=NC(C)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013137651	1	40	-2.0	-118.93	337.58	8.47	-110.46
CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N1	REAL300013137652	1	40	-2.0	-118.11	337.20	3.61	-114.50
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=N1	REAL300013137653	1	41	-2.0	-129.06	338.56	6.61	-122.45
CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N1	REAL300013137654	1	40	-2.0	-117.89	337.61	3.59	-114.30
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)=N1	REAL300013137655	1	45	-2.0	-121.69	391.13	6.62	-115.07
CC1=CSC([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013137656	1	39	-2.0	-123.52	334.28	8.14	-115.38
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=N1	REAL300013137657	1	35	-2.0	-125.40	321.81	4.45	-120.95
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013137658	1	37	-2.0	-114.23	326.15	5.64	-108.59
CC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013137659	1	38	-2.0	-114.38	326.31	5.51	-108.87
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=N1	REAL300013137660	1	44	-2.0	-117.36	347.15	5.00	-112.36
CC1=CSC([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300013137661	1	38	-2.0	-115.94	325.72	4.11	-111.83
CC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300013137662	1	38	-2.0	-124.47	301.80	6.17	-118.30
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=N1	REAL300013137663	1	38	-2.0	-115.37	303.78	3.23	-112.14
CC1=CSC([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013137664	1	37	-2.0	-115.00	343.22	6.79	-108.21
CC1=CSC([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])=N1	REAL300013137665	1	38	-2.0	-119.44	324.45	7.68	-111.76
CC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013137666	1	38	-2.0	-114.38	326.31	5.51	-108.87
CC1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013137667	1	34	-2.0	-111.09	318.33	5.45	-105.64
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300013137668	1	31	-2.0	-108.56	294.21	3.81	-104.75
CC1=CSC([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300013137669	1	31	-2.0	-111.84	303.78	4.43	-107.41
COCC(NC(=O)[N-]C1=NC(C)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013137670	1	38	-2.0	-122.26	330.89	4.28	-117.98
CC1=CSC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013137671	1	37	-2.0	-110.82	317.52	7.38	-103.44
CC1=CSC([N-]C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300013137672	1	34	-2.0	-109.51	333.40	5.94	-103.57
CC1=CSC([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])=N1	REAL300013137673	1	38	-2.0	-115.67	351.10	4.98	-110.69
CC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013137674	1	40	-2.0	-114.47	333.23	5.53	-108.94
CC1=CSC([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013137675	1	37	-2.0	-113.78	335.13	6.09	-107.69
CC1=CSC([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013137676	1	37	-2.0	-113.75	335.13	6.09	-107.66
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300013137677	1	38	-2.0	-117.01	315.53	5.16	-111.85
CC1=CSC([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013137678	1	40	-2.0	-114.72	334.10	5.51	-109.21
CC1=CSC([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013137679	1	40	-2.0	-114.76	334.06	5.50	-109.26
CC1=CSC([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300013137680	1	38	-2.0	-123.57	316.51	6.34	-117.23
CC1=CSC([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300013137681	1	38	-2.0	-123.76	313.17	6.05	-117.71
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)=N1	REAL300013137682	1	38	-2.0	-119.47	354.22	4.92	-114.55
COC1=CC=C(CC(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1	REAL300013137683	1	38	-2.0	-113.56	340.76	4.65	-108.91
C=CCSCC(NC(=O)[N-]C1=NC(C)=CS1)C(=O)[O-]	REAL300013137684	1	32	-2.0	-112.28	311.46	4.17	-108.11
CC1=CSC([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=N1	REAL300013137685	1	35	-2.0	-108.73	332.91	5.72	-103.01
CC1=CSC([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=N1	REAL300013137686	1	38	-2.0	-125.98	344.00	5.58	-120.40
COC1=CC=C2NC=C(CC(NC(=O)[N-]C3=NC(C)=CS3)C(=O)[O-])C2=C1	REAL300013137687	1	42	-2.0	-124.86	370.39	4.75	-120.11
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=N1	REAL300013137688	1	37	-2.0	-114.46	315.64	5.26	-109.20
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=N1	REAL300013137689	1	38	-2.0	-122.11	321.20	6.34	-115.77
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300013137690	1	31	-2.0	-114.15	284.96	3.64	-110.51
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300013137691	1	43	-2.0	-119.08	365.82	6.79	-112.29
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300013137692	1	40	-2.0	-118.97	350.11	6.30	-112.67
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1	REAL300013137693	1	38	-2.0	-116.55	341.23	4.59	-111.96
CC1=CSC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300013137694	1	38	-2.0	-126.83	310.56	7.26	-119.57
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300013137695	1	38	-2.0	-115.78	330.34	6.28	-109.50
CC1=CSC([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013137696	1	38	-2.0	-119.96	332.32	5.33	-114.63
CC1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=N1	REAL300013137697	1	34	-2.0	-111.94	325.27	5.32	-106.62
CC1=CSC([N-]C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])=N1	REAL300013137698	1	34	-2.0	-110.87	333.21	6.00	-104.87
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=CS2)C1	REAL300013137699	1	32	-2.0	-115.65	297.61	5.44	-110.21
CC1=CSC([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=N1	REAL300013137700	1	41	-2.0	-124.98	330.82	6.80	-118.18
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013137701	1	34	-2.0	-114.80	312.75	7.42	-107.38
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300013137702	1	41	-2.0	-119.87	364.08	7.77	-112.10
CC1=CSC([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=N1	REAL300013137703	1	35	-2.0	-116.56	315.46	7.62	-108.94
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013137704	1	37	-2.0	-113.08	336.72	6.09	-106.99
CC1=CSC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300013137705	1	31	-2.0	-115.30	277.66	5.84	-109.46
CC1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013137706	1	34	-2.0	-111.09	318.33	5.45	-105.64
CC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013137707	1	31	-2.0	-111.51	302.99	4.26	-107.25
CC1=CSC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300013137708	1	31	-2.0	-113.24	283.91	5.04	-108.20
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=N1	REAL300013137709	1	35	-2.0	-117.88	316.67	4.96	-112.92
CC1=CSC([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=N1	REAL300013137710	1	39	-2.0	-119.53	343.34	6.51	-113.02
CC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013137711	1	31	-2.0	-111.51	302.99	4.26	-107.25
CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013137712	1	32	-2.0	-116.29	300.92	1.53	-114.76
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300013137713	1	31	-2.0	-114.87	310.96	5.07	-109.80
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013137714	1	35	-2.0	-121.87	307.84	5.47	-116.40
CC1=CSC([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=N1	REAL300013137715	1	34	-2.0	-105.16	297.01	5.50	-99.66
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=N1	REAL300013137716	1	45	-2.0	-121.35	344.67	6.42	-114.93
CC1=CSC([N-]C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])=N1	REAL300013137717	1	33	-2.0	-109.92	328.24	4.08	-105.84
CC1=CSC([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013137718	1	37	-2.0	-116.19	337.51	5.66	-110.53
CC1=CSC([N-]C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])=N1	REAL300013137719	1	35	-2.0	-111.59	328.73	7.64	-103.95
CC1=CSC([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=N1	REAL300013137720	1	42	-2.0	-124.83	327.87	6.37	-118.46
CC1=CSC([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300013137721	1	33	-2.0	-109.92	323.65	4.00	-105.92
C=CCN(C(=O)[N-]C1=NC=C(C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013137722	1	41	-2.0	-109.73	354.91	9.59	-100.14
CC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300013137723	1	34	-2.0	-122.80	328.81	6.27	-116.53
CC1=CN=C([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])S1	REAL300013137724	1	40	-2.0	-126.70	357.86	8.08	-118.62
CC1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013137725	1	40	-2.0	-122.34	335.40	6.16	-116.18
CC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013137726	1	37	-2.0	-118.51	327.13	8.71	-109.80
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300013137727	1	34	-2.0	-127.44	313.49	5.68	-121.76
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300013137728	1	37	-2.0	-130.16	337.43	7.31	-122.85
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300013137729	1	32	-2.0	-119.91	283.11	4.79	-115.12
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C)S1	REAL300013137730	1	40	-2.0	-117.20	342.04	8.73	-108.47
CC1=CN=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300013137731	1	30	-2.0	-110.44	295.57	6.19	-104.25
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013137732	1	32	-2.0	-123.95	303.09	2.15	-121.80
CC1=CN=C([N-]C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])S1	REAL300013137733	1	34	-2.0	-115.16	347.55	7.04	-108.12
CC1=CN=C([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])S1	REAL300013137734	1	38	-2.0	-114.44	327.56	5.93	-108.51
CC1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)S1	REAL300013137735	1	38	-2.0	-127.93	331.28	9.29	-118.64
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300013137736	1	31	-2.0	-116.28	304.78	5.13	-111.15
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300013137737	1	31	-2.0	-116.92	314.43	5.66	-111.26
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)S1	REAL300013137738	1	34	-2.0	-119.88	318.53	5.79	-114.09
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300013137739	1	36	-2.0	-125.34	327.97	4.85	-120.49
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300013137740	1	37	-2.0	-129.23	334.25	6.38	-122.85
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)S1	REAL300013137741	1	37	-2.0	-129.05	330.25	6.30	-122.75
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C)S2)C(=O)[O-])C=C1O	REAL300013137742	1	36	-2.0	-124.43	331.70	2.17	-122.26
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C)S2)C(=O)[O-])C=C1Cl	REAL300013137743	1	35	-2.0	-122.79	337.60	4.87	-117.92
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013137744	1	31	-2.0	-119.79	308.57	5.61	-114.18
CC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013137745	1	34	-2.0	-121.20	314.26	5.96	-115.24
CC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013137746	1	34	-2.0	-118.89	314.94	8.05	-110.84
CC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013137747	1	34	-2.0	-121.20	314.26	5.96	-115.24
CC1=CN=C([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300013137748	1	35	-2.0	-136.31	306.89	8.56	-127.75
CC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)S1	REAL300013137749	1	34	-2.0	-113.35	331.66	8.57	-104.78
CC1=CN=C([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013137750	1	38	-2.0	-126.74	343.37	6.03	-120.71
COC1=CC(CN(CC(=O)[O-])C(=O)[N-]C2=NC=C(C)S2)=CC(OC)=C1	REAL300013137751	1	42	-2.0	-123.15	373.93	6.66	-116.49
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)S1	REAL300013137752	1	31	-2.0	-119.90	313.37	5.63	-114.27
CC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300013137753	1	34	-2.0	-112.88	321.34	8.12	-104.76
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013137754	1	35	-2.0	-130.59	310.01	6.16	-124.43
CC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)S1	REAL300013137755	1	34	-2.0	-110.03	333.54	7.97	-102.06
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300013137756	1	31	-2.0	-126.35	302.86	5.17	-121.18
CC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013137757	1	34	-2.0	-128.89	300.15	5.77	-123.12
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(C)S1)C(=O)[O-]	REAL300013137758	1	42	-2.0	-123.16	346.03	6.36	-116.80
CC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)S1	REAL300013137759	1	35	-2.0	-120.21	337.01	5.91	-114.30
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013137760	1	31	-2.0	-119.79	308.57	5.61	-114.18
CC1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013137761	1	37	-2.0	-119.00	337.35	8.83	-110.17
CC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013137762	1	34	-2.0	-120.44	301.04	6.89	-113.55
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)S1	REAL300013137763	1	35	-2.0	-134.25	306.75	6.03	-128.22
CC1=CN=C([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013137764	1	38	-2.0	-127.33	347.98	5.96	-121.37
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300013137765	1	32	-2.0	-126.33	303.10	2.14	-124.19
CC1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013137766	1	37	-2.0	-119.00	337.35	8.83	-110.17
CCC1CCC(NC(=O)[N-]C2=NC=C(C)S2)(C(=O)[O-])CC1	REAL300013137767	1	40	-2.0	-127.15	324.47	6.35	-120.80
CC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)S1	REAL300013137768	1	34	-2.0	-119.02	332.05	6.75	-112.27
CC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC(Br)=C2)S1	REAL300013137769	1	37	-2.0	-113.79	348.43	9.33	-104.46
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)S1	REAL300013137770	1	31	-2.0	-127.42	303.94	5.44	-121.98
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)S1	REAL300013137771	1	31	-2.0	-131.80	296.47	5.11	-126.69
CC1=CN=C([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013137772	1	35	-2.0	-126.38	309.06	7.82	-118.56
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)S1	REAL300013137773	1	37	-2.0	-128.58	324.84	6.13	-122.45
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C)S2)C(=O)[O-])C=C1F	REAL300013137774	1	35	-2.0	-122.82	327.79	4.38	-118.44
CC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013137775	1	37	-2.0	-112.06	353.67	9.06	-103.00
CC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)S1	REAL300013137776	1	34	-2.0	-114.26	336.24	8.67	-105.59
CCCN(C(=O)[N-]C1=NC=C(C)S1)C(COC)C(=O)[O-]	REAL300013137777	1	37	-2.0	-115.87	315.47	5.35	-110.52
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C)S2)C(=O)[O-])C=C1	REAL300013137778	1	35	-2.0	-124.40	321.33	4.39	-120.01
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)S1	REAL300013137779	1	34	-2.0	-120.90	301.88	1.09	-119.81
CCC(NC(=O)[N-]C1=NC=C(C)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013137780	1	37	-2.0	-123.69	333.49	7.13	-116.56
CCC(NC(=O)[N-]C1=NC=C(C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013137781	1	37	-2.0	-130.25	316.76	6.61	-123.64
COC1CCCC(C(NC(=O)[N-]C2=NC=C(C)S2)C(=O)[O-])C1	REAL300013137782	1	41	-2.0	-123.91	344.14	4.36	-119.55
COC1(CC(NC(=O)[N-]C2=NC=C(C)S2)C(=O)[O-])CCC1	REAL300013137783	1	38	-2.0	-125.12	327.39	4.03	-121.09
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC=C(C)S2)=C1	REAL300013137784	1	38	-2.0	-122.50	330.53	6.19	-116.31
COC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C)S2)C(=O)[O-])=C1	REAL300013137785	1	35	-2.0	-128.85	321.34	4.38	-124.47
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)S1	REAL300013137786	1	31	-2.0	-126.36	307.12	5.50	-120.86
CC1=CN=C([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])S1	REAL300013137787	1	32	-2.0	-122.69	291.64	5.95	-116.74
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC=C(C)S2)C(=O)[O-])=C1	REAL300013137788	1	35	-2.0	-128.97	321.53	4.31	-124.66
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C)S2)C1	REAL300013137789	1	37	-2.0	-129.12	323.25	6.98	-122.14
COC1=CC=CC(CC(NC(=O)[N-]C2=NC=C(C)S2)C(=O)[O-])=C1	REAL300013137790	1	38	-2.0	-123.29	343.59	5.31	-117.98
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)S1	REAL300013137791	1	40	-2.0	-128.70	313.33	5.99	-122.71
CC1=CN=C([N-]C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])S1	REAL300013137792	1	31	-2.0	-120.17	318.35	5.73	-114.44
CC1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])S1	REAL300013137793	1	37	-2.0	-120.46	334.19	6.62	-113.84
CC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300013137794	1	36	-2.0	-127.43	328.36	6.44	-120.99
CC1=CN=C([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])S1	REAL300013137795	1	38	-2.0	-121.69	323.06	4.46	-117.23
CC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=C(Br)S2)S1	REAL300013137796	1	31	-2.0	-109.40	316.13	6.76	-102.64
CC1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013137797	1	37	-2.0	-120.25	323.86	6.17	-114.08
CC1=CN=C([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300013137798	1	38	-2.0	-120.17	327.36	3.76	-116.41
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300013137799	1	34	-2.0	-121.98	330.81	6.00	-115.98
CC1=CN=C([N-]C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])S1	REAL300013137800	1	38	-2.0	-116.31	360.26	5.75	-110.56
CC1=CN=C([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])S1	REAL300013137801	1	30	-2.0	-118.58	300.88	3.12	-115.46
CC1=CN=C([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])S1	REAL300013137802	1	37	-2.0	-124.09	343.96	6.42	-117.67
CC1=CN=C([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013137803	1	34	-2.0	-116.70	320.74	6.03	-110.67
CC1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013137804	1	34	-2.0	-116.73	320.68	6.03	-110.70
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300013137805	1	37	-2.0	-121.56	333.34	7.42	-114.14
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)S1	REAL300013137806	1	35	-2.0	-128.93	335.83	4.91	-124.02
CC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013137807	1	34	-2.0	-128.89	300.15	5.77	-123.12
CC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300013137808	1	34	-2.0	-125.54	321.43	6.38	-119.16
CC1=CN=C([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013137809	1	36	-2.0	-119.80	313.77	6.53	-113.27
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300013137810	1	34	-2.0	-118.04	330.57	6.09	-111.95
CC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])S1	REAL300013137811	1	37	-2.0	-115.31	319.12	7.90	-107.41
CC1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013137812	1	33	-2.0	-118.06	309.45	4.18	-113.88
CC1=CN=C([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])S1	REAL300013137813	1	37	-2.0	-113.90	320.67	5.29	-108.61
CC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013137814	1	37	-2.0	-115.42	319.68	8.01	-107.41
CC1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013137816	1	33	-2.0	-118.06	309.45	4.18	-113.88
CC1=CN=C([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])S1	REAL300013137818	0	35	-2.0	-131.35	310.44	8.95	-122.40
CC1=CN=C([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])S1	REAL300013137819	0	38	-2.0	-121.13	321.13	8.39	-112.74
CC1=CN=C([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])S1	REAL300013137820	1	36	-2.0	-118.58	331.35	4.98	-113.60
CC1=CN=C([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300013137821	1	30	-2.0	-120.43	300.61	3.01	-117.42
CC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300013137822	1	34	-2.0	-122.17	332.33	6.33	-115.84
CC1=CN=C([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300013137824	1	31	-2.0	-112.50	320.36	4.77	-107.73
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)S1	REAL300013137825	1	28	-2.0	-118.49	304.34	4.71	-113.78
CC1=CN=C([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])S1	REAL300013137826	1	34	-2.0	-127.09	305.85	4.34	-122.75
CC1=CN=C([N-]C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])S1	REAL300013137827	1	45	-2.0	-124.45	402.77	8.85	-115.60
CCN(C(=O)[N-]C1=NC=C(C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013137828	1	40	-2.0	-126.86	339.90	9.14	-117.72
CC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)S1	REAL300013137829	1	40	-2.0	-125.10	335.63	4.17	-120.93
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)S1	REAL300013137830	1	41	-2.0	-136.45	340.92	7.35	-129.10
CC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)S1	REAL300013137831	1	40	-2.0	-125.55	340.24	4.18	-121.37
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)S1	REAL300013137832	1	45	-2.0	-130.28	393.30	7.30	-122.98
CC1=CN=C([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])S1	REAL300013137833	1	39	-2.0	-127.39	336.45	8.77	-118.62
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300013137834	1	35	-2.0	-133.96	323.98	5.09	-128.87
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013137835	1	37	-2.0	-122.82	331.05	6.35	-116.47
CC1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013137836	1	38	-2.0	-122.14	327.75	6.10	-116.04
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)S1	REAL300013137837	1	44	-2.0	-125.20	349.32	5.68	-119.52
CC1=CN=C([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300013137838	1	38	-2.0	-123.43	327.89	4.75	-118.68
CC1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)S1	REAL300013137839	1	38	-2.0	-126.09	303.97	6.81	-119.28
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)S1	REAL300013137840	1	38	-2.0	-123.14	305.92	3.90	-119.24
CC1=CN=C([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])S1	REAL300013137841	1	37	-2.0	-123.39	352.51	7.21	-116.18
CC1=CN=C([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])S1	REAL300013137842	1	38	-2.0	-127.42	326.63	8.31	-119.11
CC1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013137843	1	38	-2.0	-122.14	327.75	6.10	-116.04
CC1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013137844	1	34	-2.0	-118.90	320.74	6.02	-112.88
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)S1	REAL300013137845	1	31	-2.0	-117.68	293.86	4.71	-112.97
CC1=CN=C([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])S1	REAL300013137846	1	31	-2.0	-119.15	306.28	5.01	-114.14
COCC(NC(=O)[N-]C1=NC=C(C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013137847	1	38	-2.0	-130.00	332.85	4.94	-125.06
CC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013137848	1	37	-2.0	-115.42	319.68	8.01	-107.41
CC1=CN=C([N-]C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300013137849	1	34	-2.0	-116.84	335.56	6.58	-110.26
CC1=CN=C([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])S1	REAL300013137850	1	38	-2.0	-122.62	353.51	5.54	-117.08
CC1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013137851	1	40	-2.0	-122.34	335.40	6.16	-116.18
CC1=CN=C([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013137852	1	37	-2.0	-121.26	337.30	6.73	-114.53
CC1=CN=C([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013137853	1	37	-2.0	-121.27	337.30	6.73	-114.54
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300013137854	1	38	-2.0	-126.25	318.18	5.59	-120.66
CC1=CN=C([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013137855	1	40	-2.0	-122.45	336.03	6.21	-116.24
CC1=CN=C([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013137856	1	40	-2.0	-122.60	336.22	6.14	-116.46
CC1=CN=C([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])S1	REAL300013137857	1	38	-2.0	-126.64	318.80	6.97	-119.67
CC1=CN=C([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])S1	REAL300013137858	1	38	-2.0	-132.56	315.34	6.68	-125.88
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)S1	REAL300013137859	1	38	-2.0	-127.24	356.44	5.55	-121.69
COC1=CC=C(CC(NC(=O)[N-]C2=NC=C(C)S2)C(=O)[O-])C=C1	REAL300013137860	1	38	-2.0	-121.06	343.76	5.26	-115.80
C=CCSCC(NC(=O)[N-]C1=NC=C(C)S1)C(=O)[O-]	REAL300013137861	1	32	-2.0	-119.81	313.87	4.73	-115.08
CC1=CN=C([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])S1	REAL300013137862	1	35	-2.0	-115.75	335.09	6.35	-109.40
CC1=CN=C([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])S1	REAL300013137863	1	38	-2.0	-133.35	353.72	6.00	-127.35
COC1=CC=C2NC=C(CC(NC(=O)[N-]C3=NC=C(C)S3)C(=O)[O-])C2=C1	REAL300013137864	1	42	-2.0	-132.76	377.77	5.18	-127.58
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)S1	REAL300013137865	1	37	-2.0	-122.39	317.81	5.94	-116.45
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)S1	REAL300013137866	1	38	-2.0	-131.01	323.31	7.04	-123.97
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)S1	REAL300013137867	1	31	-2.0	-122.13	287.13	4.32	-117.81
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300013137868	1	43	-2.0	-127.03	368.04	7.42	-119.61
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300013137869	1	40	-2.0	-126.89	352.06	7.02	-119.87
CCOC1=CC=C(C(NC(=O)[N-]C2=NC=C(C)S2)C(=O)[O-])C=C1	REAL300013137870	1	38	-2.0	-124.26	343.16	5.31	-118.95
CC1=CN=C([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])S1	REAL300013137871	1	38	-2.0	-136.42	312.73	7.97	-128.45
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300013137872	1	38	-2.0	-117.74	329.84	7.29	-110.45
CC1=CN=C([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])S1	REAL300013137873	1	38	-2.0	-127.92	334.49	6.01	-121.91
CC1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])S1	REAL300013137874	1	34	-2.0	-119.81	328.28	5.94	-113.87
CC1=CN=C([N-]C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])S1	REAL300013137875	1	34	-2.0	-118.46	335.39	6.63	-111.83
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C)S2)C1	REAL300013137876	1	32	-2.0	-123.87	299.78	6.13	-117.74
CC1=CN=C([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300013137877	1	41	-2.0	-128.18	333.00	7.45	-120.73
CC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013137878	1	34	-2.0	-118.89	314.94	8.05	-110.84
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300013137879	1	41	-2.0	-127.68	366.27	8.41	-119.27
CC1=CN=C([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])S1	REAL300013137880	1	35	-2.0	-125.63	317.63	8.31	-117.32
CC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300013137881	1	37	-2.0	-120.70	338.87	6.77	-113.93
CC1=CN=C([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])S1	REAL300013137882	1	31	-2.0	-124.69	279.82	6.55	-118.14
CC1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013137883	1	34	-2.0	-118.90	320.74	6.02	-112.88
CC1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013137884	1	31	-2.0	-118.71	305.15	4.87	-113.84
CC1=CN=C([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])S1	REAL300013137885	1	31	-2.0	-116.15	285.68	5.62	-110.53
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)S1	REAL300013137886	1	35	-2.0	-126.37	318.83	5.65	-120.72
CC1=CN=C([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])S1	REAL300013137887	1	39	-2.0	-127.40	345.51	7.17	-120.23
CC1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013137888	1	31	-2.0	-118.71	305.15	4.87	-113.84
CC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013137889	1	32	-2.0	-123.85	302.85	2.24	-121.61
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300013137890	1	31	-2.0	-122.67	313.13	5.71	-116.96
CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013137891	1	35	-2.0	-130.59	310.01	6.16	-124.43
CC1=CN=C([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])S1	REAL300013137892	1	34	-2.0	-112.00	299.18	6.13	-105.87
CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)S1	REAL300013137893	1	45	-2.0	-130.84	348.44	7.05	-123.79
CC1=CN=C([N-]C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])S1	REAL300013137894	1	33	-2.0	-116.65	330.46	4.71	-111.94
CC1=CN=C([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])S1	REAL300013137895	1	37	-2.0	-123.88	339.69	6.31	-117.57
CC1=CN=C([N-]C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])S1	REAL300013137896	1	35	-2.0	-119.22	330.90	8.28	-110.94
CC1=CN=C([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])S1	REAL300013137897	1	42	-2.0	-133.91	330.03	7.08	-126.83
CC1=CN=C([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300013137898	1	33	-2.0	-116.58	325.87	4.64	-111.94
CC(=O)C1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C	REAL300013138324	0	40	-2.0	-120.64	338.32	7.08	-113.56
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Cl	REAL300013138583	0	35	-2.0	-119.94	316.42	7.03	-112.91
CC(C)CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013138863	0	48	-2.0	-126.59	399.14	8.32	-118.27
O=C([O-])C1CC(NC(=O)NC2=NC=C3NC=CC3=C2)(C(=O)[O-])C1	REAL300013139109	0	35	-2.0	-132.70	308.42	5.72	-126.98
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300013139417	0	40	-2.0	-116.71	358.32	5.66	-111.05
CSC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C	REAL300013139707	0	39	-2.0	-121.56	339.68	7.52	-114.04
O=C([O-])C1CC(NC(=O)NC2=CC=C3CCCCCC3=C2)(C(=O)[O-])C1	REAL300013140035	0	45	-2.0	-126.21	358.86	8.91	-117.30
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300013140380	0	40	-2.0	-116.71	358.32	5.66	-111.05
COCC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300013140624	0	42	-2.0	-119.10	366.69	6.66	-112.44
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300013140935	0	38	-2.0	-112.50	340.07	7.51	-104.99
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Cl	REAL300013141319	0	35	-2.0	-119.94	316.42	7.03	-112.91
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013141736	1	34	-2.0	-101.88	343.89	5.47	-96.41
COCC(C)(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141737	1	38	-2.0	-112.79	350.58	4.27	-108.52
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141738	1	41	-2.0	-102.67	373.30	6.39	-96.28
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141739	1	40	-2.0	-107.47	364.39	8.08	-99.39
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013141740	1	35	-2.0	-106.57	333.49	7.15	-99.42
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013141741	1	36	-2.0	-108.99	333.85	3.13	-105.86
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013141742	1	44	-2.0	-111.48	381.27	6.99	-104.49
C=CCOCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141743	1	39	-2.0	-111.30	374.68	4.53	-106.77
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013141744	1	39	-2.0	-125.48	348.55	5.49	-119.99
C=CC(C)C(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141745	1	38	-2.0	-106.86	359.73	5.84	-101.02
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013141746	1	42	-2.0	-110.92	372.13	4.56	-106.36
COC1CCN(C(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)C(C(=O)[O-])C1	REAL300013141747	1	42	-2.0	-119.95	373.27	7.05	-112.90
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300013141748	1	42	-2.0	-107.37	372.09	4.60	-102.77
CC1CCN(C(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)C(C(=O)[O-])C1	REAL300013141749	1	41	-2.0	-121.43	354.99	8.42	-113.01
CC(C)C(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141750	1	37	-2.0	-108.32	345.24	5.27	-103.05
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013141751	1	38	-2.0	-120.47	340.80	8.04	-112.43
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013141752	1	36	-2.0	-113.26	340.87	8.07	-105.19
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013141753	1	41	-2.0	-114.46	357.70	6.83	-107.63
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013141754	1	35	-2.0	-115.09	328.80	6.67	-108.42
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013141755	1	38	-2.0	-113.88	343.19	5.71	-108.17
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300013141756	1	44	-2.0	-115.06	363.37	7.48	-107.58
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013141757	1	28	-2.0	-92.35	285.58	2.85	-89.50
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013141758	1	38	-2.0	-114.48	364.38	6.77	-107.71
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013141759	1	38	-2.0	-114.51	364.35	6.77	-107.74
CCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141760	1	34	-2.0	-106.88	327.96	4.76	-102.12
CC(C)C(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141761	1	37	-2.0	-108.32	345.24	5.27	-103.05
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141762	1	31	-2.0	-104.36	306.43	5.82	-98.54
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013141763	1	32	-2.0	-110.64	317.81	0.53	-110.11
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013141764	1	32	-2.0	-110.64	317.81	0.53	-110.11
CC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141765	1	31	-2.0	-93.64	306.37	3.68	-89.96
CCC(C)C(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141766	1	40	-2.0	-109.21	358.14	5.73	-103.48
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141767	1	31	-2.0	-104.36	306.43	5.82	-98.54
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013141768	1	38	-2.0	-120.47	340.80	8.04	-112.43
CCCC(C)(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141769	1	40	-2.0	-110.51	353.84	5.74	-104.77
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141770	1	37	-2.0	-106.20	338.47	7.14	-99.06
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013141771	1	35	-2.0	-106.57	333.49	7.15	-99.42
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141772	1	35	-2.0	-106.63	341.05	7.37	-99.26
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141773	1	40	-2.0	-107.47	364.39	8.08	-99.39
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013141774	1	34	-2.0	-91.41	318.95	4.07	-87.34
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013141775	1	38	-2.0	-112.42	345.07	5.81	-106.61
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300013141776	1	35	-2.0	-111.52	355.36	5.90	-105.62
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013141777	1	41	-2.0	-114.46	357.70	6.83	-107.63
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141778	1	37	-2.0	-106.20	338.47	7.14	-99.06
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141779	1	37	-2.0	-106.54	349.74	7.56	-98.98
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141780	1	34	-2.0	-105.36	328.24	6.81	-98.55
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013141781	1	32	-2.0	-110.66	317.31	0.54	-110.12
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141782	1	40	-2.0	-108.91	357.79	5.66	-103.25
CC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141783	1	31	-2.0	-93.64	306.37	3.68	-89.96
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013141784	1	38	-2.0	-113.88	343.19	5.71	-108.17
CCC(C)(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141785	1	37	-2.0	-109.74	332.34	4.98	-104.76
C[C@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141786	1	31	-2.0	-93.61	306.20	3.71	-89.90
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141787	1	34	-2.0	-105.36	328.24	6.81	-98.55
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013141788	1	36	-2.0	-116.60	340.02	3.28	-113.32
C[C@@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141789	1	31	-2.0	-93.62	306.37	3.69	-89.93
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013141790	1	32	-2.0	-113.42	312.52	4.79	-108.63
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013141791	1	36	-2.0	-114.48	331.91	5.66	-108.82
CN(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013141792	1	44	-2.0	-114.25	369.12	8.57	-105.68
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013141793	1	35	-2.0	-109.52	334.60	5.20	-104.32
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141794	1	38	-2.0	-107.73	359.62	5.98	-101.75
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013141795	1	35	-2.0	-116.03	330.87	6.34	-109.69
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013141796	1	38	-2.0	-120.52	340.85	8.05	-112.47
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013141797	1	36	-2.0	-114.68	340.77	3.03	-111.65
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141798	1	34	-2.0	-98.97	321.35	6.05	-92.92
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013141799	1	35	-2.0	-115.10	328.77	6.67	-108.43
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013141800	1	35	-2.0	-113.83	329.32	5.31	-108.52
C=CCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141801	1	35	-2.0	-106.94	341.48	5.15	-101.79
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013141802	1	38	-2.0	-114.98	345.95	7.22	-107.76
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013141803	1	41	-2.0	-119.47	355.81	8.70	-110.77
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013141804	1	35	-2.0	-109.52	334.60	5.20	-104.32
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141805	1	34	-2.0	-98.88	320.83	5.94	-92.94
CCCCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141806	1	40	-2.0	-107.56	371.19	6.24	-101.32
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013141807	1	38	-2.0	-115.04	345.85	7.22	-107.82
CN(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013141808	1	44	-2.0	-114.25	369.12	8.57	-105.68
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013141809	1	41	-2.0	-107.70	364.58	8.37	-99.33
COCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141810	1	35	-2.0	-109.80	339.92	2.98	-106.82
CCCCCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141811	1	43	-2.0	-107.61	392.69	7.02	-100.59
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013141812	1	40	-2.0	-109.67	358.99	5.82	-103.85
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013141813	1	42	-2.0	-107.63	373.02	6.70	-100.93
CN(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C1(C(=O)[O-])CCCC1	REAL300013141814	1	41	-2.0	-118.17	357.10	7.89	-110.28
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C1CC1	REAL300013141815	1	38	-2.0	-99.13	345.97	8.49	-90.64
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C1CC1	REAL300013141816	1	41	-2.0	-103.59	363.04	8.71	-94.88
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141817	1	37	-2.0	-106.54	349.74	7.56	-98.98
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C1CC1	REAL300013141818	1	42	-2.0	-101.62	375.81	8.09	-93.53
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C1CCC1	REAL300013141819	1	41	-2.0	-100.22	362.25	7.94	-92.28
CCCN(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(CC)C(=O)[O-]	REAL300013141820	1	43	-2.0	-101.67	376.61	8.52	-93.15
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013141821	1	28	-2.0	-92.35	285.58	2.85	-89.50
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141822	1	40	-2.0	-108.55	366.90	6.01	-102.54
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013141823	1	39	-2.0	-110.46	349.14	4.34	-106.12
C=CCCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141824	1	38	-2.0	-107.21	362.51	6.02	-101.19
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013141825	1	31	-2.0	-93.16	310.30	3.67	-89.49
CCC(CC)(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141826	1	40	-2.0	-111.53	349.01	5.86	-105.67
CCC(COC)(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141827	1	41	-2.0	-114.52	367.25	5.16	-109.36
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013141828	1	38	-2.0	-108.19	359.81	6.25	-101.94
COCCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141829	1	38	-2.0	-105.64	361.87	3.75	-101.89
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013141830	1	34	-2.0	-102.89	338.58	5.28	-97.61
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013141831	1	34	-2.0	-102.71	334.55	4.90	-97.81
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013141832	1	42	-2.0	-107.63	373.02	6.70	-100.93
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300013141833	1	44	-2.0	-108.84	381.98	9.08	-99.76
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)(C(=O)[O-])CC1	REAL300013141834	1	44	-2.0	-115.11	371.51	7.20	-107.91
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013141835	1	37	-2.0	-104.84	338.93	5.12	-99.72
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141836	1	34	-2.0	-99.58	320.40	6.06	-93.52
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013141837	1	36	-2.0	-119.11	335.12	7.23	-111.88
COC1CN(C(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)C(C)(C(=O)[O-])C1	REAL300013141838	1	42	-2.0	-114.56	379.11	6.19	-108.37
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013141839	1	40	-2.0	-109.67	358.99	5.82	-103.85
C=C(Cl)CC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141840	1	35	-2.0	-105.31	356.42	5.88	-99.43
C=C(C)CC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141841	1	38	-2.0	-107.03	358.70	6.23	-100.80
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013141842	1	39	-2.0	-119.03	348.69	7.97	-111.06
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013141843	1	36	-2.0	-114.25	340.83	3.02	-111.23
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013141844	1	35	-2.0	-105.13	341.75	6.83	-98.30
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013141845	1	35	-2.0	-110.03	335.24	6.77	-103.26
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)C1	REAL300013141846	1	36	-2.0	-115.88	342.02	7.12	-108.76
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141847	1	40	-2.0	-108.55	366.90	6.01	-102.54
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013141848	1	42	-2.0	-110.92	372.13	4.56	-106.36
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013141849	1	38	-2.0	-114.51	364.35	6.77	-107.74
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013141850	1	38	-2.0	-108.19	359.81	6.25	-101.94
CC(C)CCCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141851	1	46	-2.0	-107.94	410.02	7.60	-100.34
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300013141852	1	42	-2.0	-114.15	384.15	5.15	-109.00
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141853	1	35	-2.0	-106.77	334.95	1.81	-104.96
CSCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141854	1	35	-2.0	-107.46	351.90	5.04	-102.42
COC[C@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141855	1	35	-2.0	-109.76	339.57	2.94	-106.82
CC[C@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141856	1	34	-2.0	-106.99	328.20	4.71	-102.28
CCC(C)CC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141857	1	43	-2.0	-108.68	385.13	6.65	-102.03
C=CCCCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141858	1	41	-2.0	-107.40	383.76	6.86	-100.54
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013141859	1	36	-2.0	-113.26	340.87	8.07	-105.19
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013141860	1	35	-2.0	-116.03	330.87	6.34	-109.69
CCCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141861	1	37	-2.0	-107.37	349.70	5.46	-101.91
CC(C)[C@@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141862	1	37	-2.0	-107.99	339.65	5.10	-102.89
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013141863	1	39	-2.0	-121.54	351.49	8.31	-113.23
CCN(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(C)(C)C(=O)[O-]	REAL300013141864	1	40	-2.0	-112.77	353.96	7.68	-105.09
CCCN(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(C)C(=O)[O-]	REAL300013141865	1	40	-2.0	-101.24	359.45	7.66	-93.58
CCC[C@@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141866	1	37	-2.0	-107.32	349.70	5.47	-101.85
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013141867	1	39	-2.0	-119.11	352.24	7.78	-111.33
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013141868	1	38	-2.0	-114.48	364.38	6.77	-107.71
CN(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(C)(C)C(=O)[O-]	REAL300013141869	1	37	-2.0	-111.64	335.47	6.82	-104.82
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013141870	1	35	-2.0	-115.10	328.77	6.67	-108.43
CCC(C)CC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141873	1	43	-2.0	-108.68	385.13	6.65	-102.03
C#CCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141874	1	33	-2.0	-106.70	334.22	5.17	-101.53
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141875	1	34	-2.0	-98.88	320.83	5.94	-92.94
CC(C)=CCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141876	1	41	-2.0	-108.85	380.84	6.61	-102.24
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141877	1	43	-2.0	-102.72	380.48	8.43	-94.29
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1	REAL300013141878	1	37	-2.0	-117.52	360.74	5.20	-112.32
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141879	1	44	-2.0	-117.65	383.34	9.14	-108.51
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300013141881	1	37	-2.0	-111.08	359.02	5.06	-106.02
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141882	1	42	-2.0	-116.69	374.36	7.41	-109.28
C=CCCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141883	1	38	-2.0	-107.21	362.51	6.02	-101.19
CC#CCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141884	1	36	-2.0	-108.44	356.29	6.06	-102.38
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=N1	REAL300013141885	1	39	-2.0	-109.80	357.29	6.00	-103.80
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013141886	1	38	-2.0	-115.05	345.85	7.22	-107.83
CC(C)[C@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141887	1	37	-2.0	-108.35	345.24	5.28	-103.07
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013141888	1	38	-2.0	-114.52	364.33	6.78	-107.74
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141889	1	34	-2.0	-99.58	320.40	6.06	-93.52
CCC[C@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141890	1	37	-2.0	-107.40	349.70	5.48	-101.92
CCN(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(C)C(=O)[O-]	REAL300013141891	1	37	-2.0	-99.96	337.49	6.73	-93.23
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013141892	1	41	-2.0	-107.70	364.58	8.37	-99.33
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141893	1	40	-2.0	-108.91	357.79	5.66	-103.25
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141894	1	37	-2.0	-100.38	340.70	7.14	-93.24
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013141895	1	39	-2.0	-116.17	361.60	2.60	-113.57
CC1CCC(NC(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)(C(=O)[O-])C1	REAL300013141896	1	41	-2.0	-115.07	363.24	6.32	-108.75
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300013141897	1	44	-2.0	-117.04	372.06	6.95	-110.09
COCCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141898	1	38	-2.0	-105.64	361.87	3.75	-101.89
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013141899	1	41	-2.0	-115.40	365.74	7.01	-108.39
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013141900	1	38	-2.0	-111.08	351.80	6.07	-105.01
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013141901	1	36	-2.0	-122.45	340.85	3.22	-119.23
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013141902	1	39	-2.0	-106.12	355.37	3.70	-102.42
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013141903	1	39	-2.0	-118.70	351.17	7.81	-110.89
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013141904	1	37	-2.0	-114.57	342.64	5.45	-109.12
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)C1	REAL300013141905	1	41	-2.0	-121.48	357.07	8.91	-112.57
CN(C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C1(C(=O)[O-])CC1	REAL300013141906	1	35	-2.0	-111.47	335.82	6.57	-104.90
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013141907	1	38	-2.0	-109.82	348.44	5.59	-104.23
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013141908	1	44	-2.0	-111.48	381.27	6.99	-104.49
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013141909	1	38	-2.0	-109.82	348.44	5.59	-104.23
CC1CCN(C(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)C1C(=O)[O-]	REAL300013141910	1	38	-2.0	-117.86	351.50	6.92	-110.94
C=CCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141911	1	35	-2.0	-106.94	341.48	5.15	-101.79
COC1CC(NC(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)(C(=O)[O-])C1	REAL300013141912	1	39	-2.0	-114.08	362.66	4.26	-109.82
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013141913	1	35	-2.0	-108.04	337.75	5.34	-102.70
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)(C(=O)[O-])C1	REAL300013141914	1	39	-2.0	-116.05	361.43	4.56	-111.49
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141915	1	41	-2.0	-117.07	359.28	8.46	-108.61
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013141916	1	34	-2.0	-101.88	343.89	5.47	-96.41
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013141917	1	42	-2.0	-108.32	381.76	4.79	-103.53
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013141918	1	33	-2.0	-105.91	320.15	2.34	-103.57
CC(C)C(C)(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141919	1	40	-2.0	-110.87	347.26	5.60	-105.27
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013141920	1	36	-2.0	-119.73	336.11	7.82	-111.91
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013141921	1	39	-2.0	-118.87	352.03	7.48	-111.39
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141922	1	40	-2.0	-100.93	355.02	7.80	-93.13
COC1(C(NC(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)C(=O)[O-])CCC1	REAL300013141923	1	42	-2.0	-108.33	375.80	4.38	-103.95
CN1C(Cl)=CN=C1C1=CSC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013141924	0	38	-2.0	-107.92	360.07	6.97	-100.95
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013141924	1	37	-3.0	-186.52	356.83	5.80	-180.72
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013141925	1	35	-2.0	-110.03	335.24	6.77	-103.26
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013141926	1	37	-2.0	-114.39	344.63	7.53	-106.86
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013141927	1	41	-2.0	-118.26	362.76	7.46	-110.80
CC(C)CCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141928	1	43	-2.0	-107.89	388.52	6.82	-101.07
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300013141929	1	42	-2.0	-118.49	378.44	8.24	-110.25
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013141930	1	42	-2.0	-108.32	381.76	4.79	-103.53
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141931	1	35	-2.0	-112.01	338.17	1.46	-110.55
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013141932	1	32	-2.0	-110.66	317.31	0.54	-110.12
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300013141933	1	42	-2.0	-115.58	366.04	7.20	-108.38
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013141934	1	39	-2.0	-115.88	350.69	6.56	-109.32
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300013141935	1	42	-2.0	-115.41	371.94	6.93	-108.48
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013141936	1	41	-2.0	-110.65	364.36	6.29	-104.36
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141937	1	38	-2.0	-110.18	357.72	3.95	-106.23
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141938	1	38	-2.0	-113.46	344.90	5.96	-107.50
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013141939	1	41	-2.0	-117.12	369.85	7.51	-109.61
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013141940	1	35	-2.0	-112.44	340.46	6.81	-105.63
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013141941	1	42	-2.0	-119.85	367.07	8.07	-111.78
COCCCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141942	1	41	-2.0	-108.28	383.37	4.53	-103.75
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141943	1	40	-2.0	-100.61	363.28	7.90	-92.71
CCOCC(NC(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1)C(=O)[O-]	REAL300013141944	1	38	-2.0	-110.59	361.77	3.96	-106.63
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300013141945	1	43	-2.0	-109.04	379.03	7.10	-101.94
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300013141946	1	42	-2.0	-113.16	376.93	4.86	-108.30
C[C@H]1OCCN(C(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)[C@@H]1C(=O)[O-]	REAL300013141947	1	39	-2.0	-116.30	351.94	6.22	-110.08
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013141948	1	35	-2.0	-102.26	348.82	5.26	-97.00
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1	REAL300013141949	1	38	-2.0	-109.05	368.91	7.95	-101.10
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2=NC=C(Cl)N2C)=CS1	REAL300013141950	1	34	-2.0	-98.97	321.35	6.05	-92.92
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3=NC=C(Cl)N3C)=CS2)C1	REAL300013141951	1	42	-2.0	-117.12	383.92	6.62	-110.50
O=C([O-])C1CC(NC(=O)NC2=CC=CC(NC3=CC=CC=C3)=N2)(C(=O)[O-])C1	REAL300013142437	0	43	-2.0	-131.93	367.17	8.80	-123.13
O=C([O-])C1CC(NC(=O)NC2=CC=C3COCCC3=C2)(C(=O)[O-])C1	REAL300013142728	0	40	-2.0	-122.72	334.71	6.03	-116.69
O=C([O-])C1CC(NC(=O)NC2=CC=C3CCCC=CC3=C2)(C(=O)[O-])C1	REAL300013143057	0	43	-2.0	-123.78	352.10	8.95	-114.83
CCC(C)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013143546	0	44	-2.0	-125.83	359.64	8.50	-117.33
CC1=CNC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C12	REAL300013143845	0	39	-2.0	-133.59	334.46	6.65	-126.94
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300013144155	0	40	-2.0	-125.63	349.49	5.41	-120.22
CN1C=C(C2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)N=N1	REAL300013144475	0	41	-2.0	-149.16	356.78	6.08	-143.08
O=C([O-])C1CC(NC(=O)NC2=CC=C(NC3=CC=CC=C3)C=N2)(C(=O)[O-])C1	REAL300013144787	0	43	-2.0	-129.52	368.36	7.99	-121.53
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC3CC3(F)F)C=C2)(C(=O)[O-])C1	REAL300013145092	0	40	-2.0	-119.89	353.31	6.99	-112.90
CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1C	REAL300013145382	0	41	-2.0	-125.47	347.43	6.46	-119.01
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC3=CC=CN=N3)C=C2)(C(=O)[O-])C1	REAL300013145818	0	41	-2.0	-124.97	360.81	4.88	-120.09
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013146131	0	46	-2.0	-137.56	390.53	6.89	-130.67
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3CCCCC3)=C2)(C(=O)[O-])C1	REAL300013146443	0	48	-2.0	-122.20	382.82	9.71	-112.49
CC1=CC=C(C(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300013146668	1	45	-2.0	-120.13	399.40	7.82	-112.31
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146669	1	38	-2.0	-106.99	357.98	5.69	-101.30
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CCSCC1	REAL300013146670	1	43	-2.0	-113.36	369.25	6.79	-106.57
COCC(C)(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146671	1	42	-2.0	-117.90	364.43	4.56	-113.34
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146672	1	45	-2.0	-107.84	387.16	6.68	-101.16
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146673	1	44	-2.0	-113.81	378.25	8.38	-105.43
O=C([O-])CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CC1	REAL300013146674	1	39	-2.0	-111.55	347.35	7.45	-104.10
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CCOC1	REAL300013146675	1	40	-2.0	-114.16	347.69	3.41	-110.75
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCCCC1	REAL300013146676	1	48	-2.0	-116.89	395.12	7.28	-109.61
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1=CC=C(O)C=C1	REAL300013146677	1	43	-2.0	-116.99	389.24	4.22	-112.77
C=CCOCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146678	1	43	-2.0	-116.31	388.66	4.79	-111.52
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146679	1	43	-2.0	-130.61	362.41	5.79	-124.82
C=CC(C)C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146680	1	42	-2.0	-111.62	372.07	6.16	-105.46
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCOCC1	REAL300013146681	1	46	-2.0	-116.36	386.54	4.79	-111.57
COC1CCN(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C(C(=O)[O-])C1	REAL300013146682	1	46	-2.0	-125.01	387.14	7.34	-117.67
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCCOC1	REAL300013146683	1	46	-2.0	-112.94	386.52	4.81	-108.13
CC1CCN(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C(C(=O)[O-])C1	REAL300013146684	1	45	-2.0	-126.45	368.84	8.71	-117.74
CC(C)C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146685	1	41	-2.0	-113.55	359.09	5.57	-107.98
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146686	1	42	-2.0	-125.42	354.49	8.38	-117.04
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146687	1	40	-2.0	-118.10	354.73	8.37	-109.73
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CCCCC1	REAL300013146688	1	45	-2.0	-119.70	371.57	7.12	-112.58
O=C([O-])C1CCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146689	1	39	-2.0	-120.33	342.64	6.98	-113.35
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CCCC1	REAL300013146690	1	42	-2.0	-120.01	356.51	5.98	-114.03
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CCCCCC1	REAL300013146691	1	48	-2.0	-120.38	377.23	7.77	-112.61
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146692	1	45	-2.0	-114.34	399.59	8.03	-106.31
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146693	1	45	-2.0	-115.61	401.09	10.11	-105.50
O=C([O-])CNC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146694	1	32	-2.0	-97.35	299.43	3.16	-94.19
O=C([O-])[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1=CC=CC=C1	REAL300013146695	1	42	-2.0	-119.88	377.98	7.15	-112.73
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1=CC=CC=C1	REAL300013146696	1	42	-2.0	-119.67	377.57	7.11	-112.56
CCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146697	1	38	-2.0	-112.05	341.81	5.06	-106.99
CC(C)C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146698	1	41	-2.0	-113.55	359.09	5.57	-107.98
CN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146699	1	35	-2.0	-109.23	320.28	6.12	-103.11
O=C([O-])C(CO)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146700	1	36	-2.0	-115.89	331.52	0.88	-115.01
O=C([O-])C(CO)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146701	1	36	-2.0	-115.89	331.52	0.88	-115.01
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146702	1	45	-2.0	-114.34	399.59	8.03	-106.31
CC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146703	1	35	-2.0	-98.82	320.53	3.93	-94.89
CCC(C)C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146704	1	44	-2.0	-114.53	372.70	5.97	-108.56
CN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146705	1	35	-2.0	-109.23	320.28	6.12	-103.11
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146706	1	42	-2.0	-125.42	354.49	8.38	-117.04
CCCC(C)(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146707	1	44	-2.0	-115.84	367.68	6.03	-109.81
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146708	1	41	-2.0	-111.19	352.32	7.44	-103.75
O=C([O-])CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CC1	REAL300013146709	1	39	-2.0	-111.55	347.35	7.45	-104.10
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146710	1	39	-2.0	-112.76	354.90	7.67	-105.09
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146711	1	44	-2.0	-113.81	378.25	8.38	-105.43
CC(C)(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146712	1	38	-2.0	-96.49	332.79	4.37	-92.12
CC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)(C(=O)[O-])C1CC1	REAL300013146713	1	42	-2.0	-117.72	358.90	6.10	-111.62
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1=CC=CS1	REAL300013146714	1	39	-2.0	-116.95	369.84	6.16	-110.79
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CCCCC1	REAL300013146715	1	45	-2.0	-119.70	371.57	7.12	-112.58
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146716	1	41	-2.0	-111.19	352.32	7.44	-103.75
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146717	1	41	-2.0	-112.66	363.59	7.86	-104.80
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146718	1	38	-2.0	-110.39	342.09	7.10	-103.29
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146719	1	36	-2.0	-115.79	331.16	0.83	-114.96
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146720	1	44	-2.0	-114.46	373.29	5.96	-108.50
CC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146721	1	35	-2.0	-98.82	320.53	3.93	-94.89
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CCCC1	REAL300013146722	1	42	-2.0	-120.01	356.51	5.98	-114.03
CCC(C)(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146723	1	41	-2.0	-114.96	346.19	5.28	-109.68
CC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013146724	1	45	-2.0	-121.83	386.30	7.78	-114.05
C[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146725	1	35	-2.0	-98.88	320.53	3.94	-94.94
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146726	1	38	-2.0	-110.39	342.09	7.10	-103.29
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146727	1	40	-2.0	-121.72	353.89	3.57	-118.15
C[C@@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146728	1	35	-2.0	-98.84	320.52	3.93	-94.91
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CC1	REAL300013146729	1	36	-2.0	-118.58	326.37	5.08	-113.50
O=C([O-])C1COCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146730	1	40	-2.0	-119.29	345.81	5.96	-113.33
CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013146731	1	48	-2.0	-119.57	382.97	8.87	-110.70
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CC1	REAL300013146732	1	39	-2.0	-114.67	348.44	5.49	-109.18
CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013146733	1	45	-2.0	-113.76	387.76	9.05	-104.71
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146734	1	42	-2.0	-113.93	373.47	6.28	-107.65
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146735	1	39	-2.0	-120.70	343.41	6.72	-113.98
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146736	1	42	-2.0	-125.56	354.58	8.41	-117.15
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146737	1	40	-2.0	-119.39	353.90	3.57	-115.82
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146738	1	38	-2.0	-103.80	334.68	6.24	-97.56
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146739	1	39	-2.0	-120.32	342.63	6.97	-113.35
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CCC1	REAL300013146740	1	39	-2.0	-119.03	343.20	5.60	-113.43
C=CCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146741	1	39	-2.0	-112.06	355.08	5.51	-106.55
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146742	1	42	-2.0	-120.28	359.80	7.52	-112.76
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146743	1	45	-2.0	-124.94	369.66	9.00	-115.94
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CC1	REAL300013146744	1	39	-2.0	-114.67	348.44	5.49	-109.18
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146745	1	38	-2.0	-103.90	335.19	6.34	-97.56
CCCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146746	1	44	-2.0	-112.72	385.05	6.54	-106.18
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C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146748	1	42	-2.0	-120.35	359.73	7.52	-112.83
CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013146749	1	48	-2.0	-119.57	382.97	8.87	-110.70
O=C([O-])CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCCC1	REAL300013146750	1	45	-2.0	-113.96	379.41	8.75	-105.21
COCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146751	1	39	-2.0	-114.91	353.77	3.28	-111.63
CCCCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146752	1	47	-2.0	-112.73	406.54	7.33	-105.40
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146753	1	44	-2.0	-114.19	371.23	6.12	-108.07
O=C([O-])CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCOCC1	REAL300013146754	1	46	-2.0	-113.88	386.87	7.00	-106.88
CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1(C(=O)[O-])CCCC1	REAL300013146755	1	45	-2.0	-123.65	370.95	8.19	-115.46
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CC1	REAL300013146756	1	42	-2.0	-103.83	359.81	8.80	-95.03
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CC1	REAL300013146757	1	45	-2.0	-108.74	376.87	9.02	-99.72
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146758	1	41	-2.0	-112.66	363.59	7.86	-104.80
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CC1	REAL300013146759	1	46	-2.0	-106.01	389.45	8.24	-97.77
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCC1	REAL300013146760	1	45	-2.0	-119.43	375.70	9.18	-110.25
CCCN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(COC)C(=O)[O-]	REAL300013146761	1	48	-2.0	-110.36	401.62	7.40	-102.96
CCCN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(CC)C(=O)[O-]	REAL300013146762	1	47	-2.0	-107.72	390.33	8.91	-98.81
O=C([O-])CNC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146763	1	32	-2.0	-97.35	299.43	3.16	-94.19
CC(C)C[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146764	1	44	-2.0	-113.76	380.51	6.36	-107.40
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CCOCC1	REAL300013146765	1	43	-2.0	-115.53	363.00	4.62	-110.91
C=CCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146766	1	42	-2.0	-112.37	376.36	6.33	-106.04
O=C([O-])C(CF)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146767	1	35	-2.0	-98.23	324.15	3.97	-94.26
CCC(CC)(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146768	1	44	-2.0	-116.86	362.57	6.17	-110.69
CCC(COC)(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146769	1	45	-2.0	-119.75	381.10	5.47	-114.28
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146770	1	42	-2.0	-113.20	373.93	6.49	-106.71
COCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146771	1	42	-2.0	-110.69	375.48	4.12	-106.57
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146772	1	38	-2.0	-108.00	352.42	5.58	-102.42
O=C([O-])C(CCF)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146773	1	38	-2.0	-107.60	348.40	5.20	-102.40
O=C([O-])CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCOCC1	REAL300013146774	1	46	-2.0	-113.88	386.87	7.00	-106.88
O=C([O-])CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCCCC1	REAL300013146775	1	48	-2.0	-115.28	395.82	9.37	-105.91
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)(C(=O)[O-])CC1	REAL300013146776	1	48	-2.0	-120.41	385.36	7.50	-112.91
CC(CCF)(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146777	1	41	-2.0	-110.05	352.78	5.42	-104.63
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC(COC3=CC=CC=C3)=CS1)OC=C2	REAL300013146778	1	43	-2.0	-115.67	377.79	8.00	-107.67
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146779	1	38	-2.0	-103.78	334.68	6.24	-97.54
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146780	1	40	-2.0	-124.36	349.00	7.53	-116.83
COC1CN(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C(C)(C(=O)[O-])C1	REAL300013146781	1	46	-2.0	-119.80	392.96	6.48	-113.32
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146782	1	44	-2.0	-114.19	371.23	6.12	-108.07
C=C(Cl)CC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146783	1	39	-2.0	-110.49	370.51	6.12	-104.37
C=C(C)CC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146784	1	42	-2.0	-112.17	374.95	6.36	-105.81
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146785	1	43	-2.0	-124.06	362.54	8.26	-115.80
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146786	1	40	-2.0	-119.39	354.66	3.33	-116.06
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146787	1	39	-2.0	-110.25	355.61	7.12	-103.13
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146788	1	39	-2.0	-115.21	349.11	7.07	-108.14
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C1	REAL300013146789	1	40	-2.0	-121.19	355.87	7.42	-113.77
CC(C)C[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146790	1	44	-2.0	-113.76	380.51	6.36	-107.40
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCOCC1	REAL300013146791	1	46	-2.0	-116.36	386.54	4.79	-111.57
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1=CC=CC=C1	REAL300013146792	1	42	-2.0	-119.67	377.57	7.11	-112.56
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146793	1	42	-2.0	-113.20	373.93	6.49	-106.71
CC(C)CCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146794	1	50	-2.0	-113.14	423.87	7.90	-105.24
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146795	1	46	-2.0	-119.45	397.99	5.44	-114.01
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146796	1	39	-2.0	-112.01	348.32	2.09	-109.92
CSCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146797	1	39	-2.0	-112.57	365.50	5.41	-107.16
COC[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146798	1	39	-2.0	-114.87	353.42	3.23	-111.64
CC[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146799	1	38	-2.0	-112.06	342.05	4.99	-107.07
CCC(C)CC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146800	1	47	-2.0	-113.92	398.98	6.96	-106.96
C=CCCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146801	1	45	-2.0	-112.53	397.61	7.16	-105.37
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146802	1	40	-2.0	-118.10	354.73	8.37	-109.73
CC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013146803	1	45	-2.0	-121.83	386.30	7.78	-114.05
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146804	1	39	-2.0	-120.70	343.41	6.72	-113.98
CCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146805	1	41	-2.0	-112.49	363.31	5.82	-106.67
CC(C)[C@@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146806	1	41	-2.0	-112.93	357.17	5.60	-107.33
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146807	1	43	-2.0	-126.66	365.35	8.61	-118.05
CCN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(C)(C)C(=O)[O-]	REAL300013146808	1	44	-2.0	-118.01	367.82	7.97	-110.04
CCCN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(C)C(=O)[O-]	REAL300013146809	1	44	-2.0	-106.97	373.32	7.97	-99.00
CCC[C@@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146810	1	41	-2.0	-112.49	363.30	5.82	-106.67
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146811	1	43	-2.0	-126.27	366.75	8.02	-118.25
O=C([O-])[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1=CC=CC=C1	REAL300013146812	1	42	-2.0	-119.88	377.98	7.15	-112.73
CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(C)(C)C(=O)[O-]	REAL300013146813	1	41	-2.0	-116.78	349.33	7.11	-109.67
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146814	1	39	-2.0	-120.32	342.63	6.97	-113.35
CCC(C)CC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146817	1	47	-2.0	-113.92	398.98	6.96	-106.96
C#CCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146818	1	37	-2.0	-111.87	348.31	5.41	-106.46
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146819	1	38	-2.0	-103.90	335.19	6.34	-97.56
CC(C)=CCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146820	1	45	-2.0	-114.13	394.55	6.90	-107.23
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146821	1	44	-2.0	-111.76	395.36	6.30	-105.46
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146822	1	48	-2.0	-108.53	407.43	7.44	-101.09
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146823	1	47	-2.0	-107.84	394.89	8.84	-99.00
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1=CC=CC=N1	REAL300013146824	1	41	-2.0	-123.18	374.59	5.49	-117.69
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146825	1	48	-2.0	-123.22	397.19	9.43	-113.79
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146827	1	44	-2.0	-111.76	395.36	6.30	-105.46
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1=CC=CN=C1	REAL300013146828	1	41	-2.0	-116.53	372.87	5.35	-111.18
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146829	1	46	-2.0	-122.20	388.21	7.71	-114.49
C=CCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146830	1	42	-2.0	-112.37	376.36	6.33	-106.04
CC#CCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146831	1	40	-2.0	-113.56	369.90	6.42	-107.14
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CC1=O	REAL300013146832	1	43	-2.0	-114.92	371.15	6.30	-108.62
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146833	1	42	-2.0	-120.31	359.73	7.52	-112.79
CC(C)[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146834	1	41	-2.0	-113.53	359.08	5.56	-107.97
O=C([O-])[C@@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1=CC=CC=C1	REAL300013146835	1	42	-2.0	-119.74	377.57	7.09	-112.65
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146836	1	38	-2.0	-103.78	334.68	6.24	-97.54
CCC[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146837	1	41	-2.0	-112.47	363.30	5.82	-106.65
CCN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(C)C(=O)[O-]	REAL300013146838	1	41	-2.0	-104.99	351.36	7.03	-97.96
O=C([O-])CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCCC1	REAL300013146839	1	45	-2.0	-113.96	379.41	8.75	-105.21
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146840	1	44	-2.0	-114.46	373.29	5.96	-108.50
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146841	1	41	-2.0	-105.31	354.58	7.28	-98.03
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CC(CO)C1	REAL300013146842	1	43	-2.0	-124.06	373.73	2.77	-121.29
CC1CCC(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013146843	1	45	-2.0	-120.38	377.09	6.61	-113.77
CC1(C)CCCC1(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146844	1	48	-2.0	-122.51	387.59	7.38	-115.13
COCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146845	1	42	-2.0	-110.69	375.48	4.12	-106.57
CC1(C)CC(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013146846	1	45	-2.0	-120.74	379.62	7.29	-113.45
CC1(C(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C(=O)[O-])CC1	REAL300013146847	1	42	-2.0	-115.51	370.78	6.12	-109.39
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146848	1	40	-2.0	-127.68	354.69	3.51	-124.17
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCOC1	REAL300013146849	1	43	-2.0	-111.21	369.28	3.93	-107.28
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146850	1	43	-2.0	-124.21	364.79	8.07	-116.14
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC(COC3=CC=CC=C3)=CS1)C2	REAL300013146851	1	41	-2.0	-119.64	356.49	5.74	-113.90
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C1	REAL300013146852	1	45	-2.0	-126.14	375.57	8.93	-117.21
CN(C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1(C(=O)[O-])CC1	REAL300013146853	1	39	-2.0	-116.59	349.67	6.87	-109.72
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCC1	REAL300013146854	1	42	-2.0	-114.69	366.91	6.04	-108.65
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCCCC1	REAL300013146855	1	48	-2.0	-116.89	395.12	7.28	-109.61
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCC1	REAL300013146856	1	42	-2.0	-114.69	366.91	6.04	-108.65
CC1CCN(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C1C(=O)[O-]	REAL300013146857	1	42	-2.0	-123.06	365.35	7.22	-115.84
C=CCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146858	1	39	-2.0	-112.06	355.08	5.51	-106.55
COC1CC(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013146859	1	43	-2.0	-115.87	374.76	4.47	-111.40
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CC(F)(F)C1	REAL300013146860	1	39	-2.0	-113.12	351.77	5.62	-107.50
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013146861	1	43	-2.0	-121.48	375.47	4.83	-116.65
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146862	1	45	-2.0	-122.44	373.13	8.75	-113.69
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146863	1	38	-2.0	-106.99	357.98	5.69	-101.30
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146864	1	46	-2.0	-113.48	395.85	5.01	-108.47
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)COC1	REAL300013146865	1	37	-2.0	-111.00	334.00	2.63	-108.37
CC(C)C(C)(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146866	1	44	-2.0	-116.17	361.11	5.90	-110.27
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146867	1	40	-2.0	-124.84	349.96	8.12	-116.72
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146868	1	43	-2.0	-124.07	365.76	7.62	-116.45
C=CCSCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146869	1	43	-2.0	-113.32	400.02	6.80	-106.52
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146870	1	44	-2.0	-106.02	368.87	8.10	-97.92
COC1(C(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C(=O)[O-])CCC1	REAL300013146871	1	46	-2.0	-113.77	389.65	4.67	-109.10
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CC(C(F)F)C1	REAL300013146872	1	42	-2.0	-118.92	375.00	6.42	-112.50
O=C([O-])C1CC(NC(=O)NC2=NC(COC3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013146873	0	42	-2.0	-115.89	375.30	7.39	-108.50
O=C([O-])C1CC(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013146873	1	41	-3.0	-195.00	372.40	6.16	-188.84
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146874	1	39	-2.0	-115.21	349.11	7.07	-108.14
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146875	1	41	-2.0	-121.31	358.48	7.83	-113.48
CC1(C)CCN(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C1C(=O)[O-]	REAL300013146876	1	45	-2.0	-123.73	376.61	7.76	-115.97
CC(C)CCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146877	1	47	-2.0	-113.16	402.37	7.12	-106.04
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146878	1	46	-2.0	-125.73	392.30	8.54	-117.19
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146879	1	46	-2.0	-113.48	395.85	5.01	-108.47
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C1	REAL300013146880	1	43	-2.0	-116.66	385.93	8.13	-108.53
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146881	1	39	-2.0	-117.01	352.01	1.75	-115.26
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146882	1	36	-2.0	-115.79	331.16	0.83	-114.96
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CCCC2CC21	REAL300013146883	1	46	-2.0	-122.55	377.39	7.75	-114.80
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CCC2CC21	REAL300013146884	1	43	-2.0	-120.47	365.68	6.61	-113.86
O=C([O-])C1(NC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CC2(CCC2)C1	REAL300013146885	1	46	-2.0	-120.80	385.80	7.21	-113.59
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCCC1	REAL300013146886	1	45	-2.0	-115.94	378.21	6.58	-109.36
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146887	1	42	-2.0	-115.46	371.56	4.24	-111.22
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146888	1	42	-2.0	-118.70	358.77	6.26	-112.44
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146889	1	45	-2.0	-115.61	401.09	10.11	-105.50
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C1	REAL300013146890	1	45	-2.0	-124.25	383.71	7.81	-116.44
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146891	1	42	-2.0	-116.61	366.05	8.45	-108.16
O=C([O-])C1N(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)CCC1(F)F	REAL300013146892	1	39	-2.0	-117.33	354.32	7.10	-110.23
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146893	1	42	-2.0	-114.38	372.23	7.72	-106.66
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146894	1	46	-2.0	-125.20	380.94	8.37	-116.83
O=C([O-])[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1=CC=C(O)C=C1	REAL300013146895	1	43	-2.0	-116.98	389.22	4.22	-112.76
COCCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146896	1	45	-2.0	-113.51	397.22	4.83	-108.68
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146897	1	44	-2.0	-105.62	376.63	8.09	-97.53
CCOCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146898	1	42	-2.0	-115.58	375.76	4.21	-111.37
CC(C)(C)CC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146899	1	47	-2.0	-114.16	392.64	7.46	-106.70
O=C([O-])C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C1CCCCO1	REAL300013146900	1	46	-2.0	-117.96	393.29	5.55	-112.41
C[C@H]1OCCN(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)[C@@H]1C(=O)[O-]	REAL300013146901	1	43	-2.0	-121.26	365.73	6.52	-114.74
N#CCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146902	1	39	-2.0	-107.13	362.66	5.56	-101.57
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146903	1	42	-2.0	-113.53	382.75	8.25	-105.28
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300013146904	1	38	-2.0	-103.80	334.68	6.24	-97.56
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C1	REAL300013146905	1	46	-2.0	-122.48	397.77	6.92	-115.56
CCCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300013147352	0	45	-2.0	-123.44	373.91	7.70	-115.74
COCC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300013147679	0	43	-2.0	-123.88	362.70	5.17	-118.71
CCCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013148004	0	42	-2.0	-126.76	360.07	7.02	-119.74
O=C([O-])C1CC(NC(=O)NC2=NOC(C3CC3)=C2)(C(=O)[O-])C1	REAL300013148229	0	35	-2.0	-116.81	309.02	6.70	-110.11
CCCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300013148535	0	46	-2.0	-122.19	383.08	6.84	-115.35
O=C([O-])C1CC(NC(=O)NC2=CC=CC(OCC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300013148807	0	46	-2.0	-117.59	390.42	9.10	-108.49
O=C([O-])C1CC(NC(=O)NC2=CC=CC(SC(F)(F)F)=C2)(C(=O)[O-])C1	REAL300013149093	0	36	-2.0	-121.73	337.38	7.39	-114.34
CN1N=C(C2CCOCC2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013149396	0	46	-2.0	-125.01	375.51	5.99	-119.02
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3CCOCC3)=C2)(C(=O)[O-])C1	REAL300013149713	0	46	-2.0	-124.47	373.57	7.32	-117.15
NC(=O)C1=CC2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2N1	REAL300013150035	0	40	-2.0	-138.71	349.38	2.65	-136.06
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150407	1	56	-2.0	-117.00	427.40	9.13	-107.87
CC1=CC=C(C(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C(=O)[O-])C=C1	REAL300013150408	1	50	-2.0	-122.19	404.66	8.71	-113.48
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150409	1	43	-2.0	-108.36	363.84	6.59	-101.77
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCSCC1	REAL300013150410	1	48	-2.0	-115.15	373.08	7.63	-107.52
COCC(C)(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150411	1	47	-2.0	-119.14	370.29	5.46	-113.68
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150412	1	50	-2.0	-109.30	393.02	7.59	-101.71
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150413	1	49	-2.0	-115.99	384.11	9.29	-106.70
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CC1	REAL300013150414	1	44	-2.0	-112.92	353.21	8.36	-104.56
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150415	1	46	-2.0	-109.65	387.59	9.15	-100.50
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCOC1	REAL300013150416	1	45	-2.0	-115.74	351.52	4.25	-111.49
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCCCC1	REAL300013150417	1	53	-2.0	-118.58	400.37	8.16	-110.42
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=CC=C(O)C=C1	REAL300013150418	1	48	-2.0	-118.91	394.26	5.18	-113.73
CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(COC1CCC1)C(=O)[O-]	REAL300013150419	1	54	-2.0	-110.75	420.18	8.99	-101.76
C=CCOCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150420	1	48	-2.0	-117.88	394.53	5.69	-112.19
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150421	1	48	-2.0	-131.98	368.28	6.70	-125.28
C=CC(C)C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150422	1	47	-2.0	-113.12	377.93	7.07	-106.05
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCOCC1	REAL300013150423	1	51	-2.0	-117.66	391.84	5.77	-111.89
COC1CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C(C(=O)[O-])C1	REAL300013150424	1	51	-2.0	-126.53	390.95	8.18	-118.35
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCCOC1	REAL300013150425	1	51	-2.0	-114.36	391.20	5.78	-108.58
CC1CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C(C(=O)[O-])C1	REAL300013150426	1	50	-2.0	-127.65	379.40	9.79	-117.86
CC(C)C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150427	1	46	-2.0	-114.38	359.04	6.23	-108.15
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150428	1	47	-2.0	-127.17	358.48	9.17	-118.00
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150429	1	45	-2.0	-119.33	358.55	9.21	-110.12
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCCCC1	REAL300013150430	1	50	-2.0	-121.05	377.43	8.03	-113.02
O=C([O-])C1CCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150431	1	44	-2.0	-122.01	346.48	7.80	-114.21
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCCC1	REAL300013150432	1	47	-2.0	-120.80	360.88	6.85	-113.95
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCCCCC1	REAL300013150433	1	53	-2.0	-122.15	381.03	8.61	-113.54
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150434	1	50	-2.0	-115.84	406.28	8.91	-106.93
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150435	1	50	-2.0	-117.81	406.95	11.02	-106.79
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=CC=CC=C1	REAL300013150436	1	47	-2.0	-121.93	383.48	7.96	-113.97
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=CC=CC=C1	REAL300013150437	1	47	-2.0	-121.64	383.85	8.06	-113.58
CCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150438	1	43	-2.0	-113.50	347.67	5.97	-107.53
CC(C)C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150439	1	46	-2.0	-114.38	359.04	6.23	-108.15
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150440	1	40	-2.0	-110.58	326.15	7.03	-103.55
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150441	1	41	-2.0	-117.24	337.52	1.73	-115.51
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150442	1	41	-2.0	-117.24	337.52	1.73	-115.51
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150443	1	50	-2.0	-115.84	406.28	8.91	-106.93
CC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150444	1	40	-2.0	-100.27	326.40	4.85	-95.42
CCC(C)C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150445	1	49	-2.0	-115.91	377.84	6.93	-108.98
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150446	1	40	-2.0	-110.58	326.15	7.03	-103.55
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150447	1	47	-2.0	-127.17	358.48	9.17	-118.00
CCCC(C)(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150448	1	49	-2.0	-117.17	373.55	6.94	-110.23
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150449	1	46	-2.0	-112.58	358.18	8.35	-104.23
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CC1	REAL300013150450	1	44	-2.0	-112.92	353.21	8.36	-104.56
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150451	1	44	-2.0	-114.99	360.77	8.58	-106.41
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150452	1	49	-2.0	-115.99	384.11	9.29	-106.70
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150453	1	51	-2.0	-129.02	396.87	11.37	-117.65
CC(C)(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150454	1	43	-2.0	-97.89	338.66	5.28	-92.61
CC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)(C(=O)[O-])C1CC1	REAL300013150455	1	47	-2.0	-119.08	364.77	7.01	-112.07
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=CC=CS1	REAL300013150456	1	44	-2.0	-118.50	375.07	7.10	-111.40
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCCCC1	REAL300013150457	1	50	-2.0	-121.05	377.43	8.03	-113.02
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150458	1	46	-2.0	-112.58	358.18	8.35	-104.23
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150459	1	46	-2.0	-114.84	369.45	8.77	-106.07
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150460	1	43	-2.0	-111.74	347.96	8.01	-103.73
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150461	1	41	-2.0	-117.17	337.52	1.74	-115.43
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150462	1	49	-2.0	-116.30	377.11	6.80	-109.50
CC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150463	1	40	-2.0	-100.27	326.40	4.85	-95.42
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCCC1	REAL300013150464	1	47	-2.0	-120.80	360.88	6.85	-113.95
CCC(C)(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150465	1	46	-2.0	-116.25	352.05	6.19	-110.06
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC2=CC=CC=C2C1	REAL300013150466	1	51	-2.0	-124.45	402.02	9.07	-115.38
CC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013150467	1	50	-2.0	-123.29	392.17	8.69	-114.60
C[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150468	1	40	-2.0	-100.11	325.92	4.91	-95.20
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150469	1	43	-2.0	-111.74	347.96	8.01	-103.73
CCCCCCC(C)(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150470	1	58	-2.0	-117.89	438.05	9.28	-108.61
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150471	1	45	-2.0	-123.32	357.75	4.41	-118.91
C[C@@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150472	1	40	-2.0	-100.13	326.08	4.89	-95.24
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013150473	1	41	-2.0	-119.92	330.20	5.91	-114.01
O=C([O-])C1COCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150474	1	45	-2.0	-120.78	349.60	6.79	-113.99
CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013150475	1	53	-2.0	-121.13	386.80	9.70	-111.43
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CC1	REAL300013150476	1	44	-2.0	-115.90	352.14	6.38	-109.52
CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013150477	1	50	-2.0	-116.95	397.02	10.16	-106.79
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150478	1	47	-2.0	-116.08	379.33	7.19	-108.89
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCC2=CC=CC=C21	REAL300013150479	1	51	-2.0	-128.59	398.16	8.93	-119.66
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150480	1	44	-2.0	-122.64	350.46	7.54	-115.10
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150481	1	47	-2.0	-126.93	360.56	9.25	-117.68
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150482	1	45	-2.0	-120.96	360.35	4.23	-116.73
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150483	1	43	-2.0	-105.65	339.01	7.18	-98.47
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150484	1	44	-2.0	-122.10	349.20	7.62	-114.48
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCC1	REAL300013150485	1	44	-2.0	-120.25	349.07	6.51	-113.74
C=CCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150486	1	44	-2.0	-113.54	361.19	6.35	-107.19
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150487	1	47	-2.0	-121.53	365.66	8.43	-113.10
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150488	1	50	-2.0	-126.54	373.33	9.99	-116.55
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CC1	REAL300013150489	1	44	-2.0	-115.90	352.14	6.38	-109.52
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150490	1	43	-2.0	-105.20	340.54	7.15	-98.05
CCCCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150491	1	49	-2.0	-114.12	390.67	7.51	-106.61
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=CC=CC(O)=C1	REAL300013150492	1	48	-2.0	-120.68	394.87	5.19	-115.49
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150493	1	47	-2.0	-121.59	365.59	8.43	-113.16
CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013150494	1	53	-2.0	-121.13	386.80	9.70	-111.43
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCCC1	REAL300013150495	1	50	-2.0	-116.79	383.69	9.55	-107.24
COCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150496	1	44	-2.0	-116.47	359.63	4.19	-112.28
CCCCCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150497	1	52	-2.0	-114.20	412.17	8.29	-105.91
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150498	1	49	-2.0	-116.57	378.10	6.99	-109.58
CCC1CCC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)(C(=O)[O-])CC1	REAL300013150499	1	56	-2.0	-121.90	414.46	9.20	-112.70
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCOCC1	REAL300013150500	1	51	-2.0	-116.03	392.73	7.91	-108.12
CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1(C(=O)[O-])CCCC1	REAL300013150501	1	50	-2.0	-122.78	373.44	8.75	-114.03
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CC1	REAL300013150502	1	47	-2.0	-104.94	365.68	9.71	-95.23
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CC1	REAL300013150503	1	50	-2.0	-110.36	380.72	9.85	-100.51
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=CC=CC=C1F	REAL300013150504	1	47	-2.0	-125.42	387.07	8.05	-117.37
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150505	1	51	-2.0	-121.21	399.05	10.71	-110.50
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150506	1	46	-2.0	-114.84	369.45	8.77	-106.07
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CC1	REAL300013150507	1	51	-2.0	-107.52	393.27	9.07	-98.45
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCC1	REAL300013150508	1	50	-2.0	-107.93	381.96	9.15	-98.78
CCCN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(COC)C(=O)[O-]	REAL300013150509	1	53	-2.0	-112.19	408.18	8.42	-103.77
CCCN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(CC)C(=O)[O-]	REAL300013150510	1	52	-2.0	-109.54	395.68	9.71	-99.83
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150511	1	49	-2.0	-115.08	385.79	7.28	-107.80
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCOCC1	REAL300013150512	1	48	-2.0	-117.23	366.81	5.46	-111.77
C=CCCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150513	1	47	-2.0	-113.86	382.22	7.23	-106.63
O=C([O-])C(CF)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150514	1	40	-2.0	-99.64	330.01	4.88	-94.76
CCC(CC)(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150515	1	49	-2.0	-118.23	368.43	7.08	-111.15
CCC(COC)(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150516	1	50	-2.0	-120.93	386.97	6.38	-114.55
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150517	1	47	-2.0	-115.11	378.91	7.44	-107.67
COCCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150518	1	47	-2.0	-112.02	381.58	4.96	-107.06
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150519	1	43	-2.0	-109.48	358.53	6.42	-103.06
O=C([O-])C(CCF)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150520	1	43	-2.0	-108.95	354.26	6.11	-102.84
COC1(CC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C(=O)[O-])CCC1	REAL300013150521	1	54	-2.0	-118.84	417.88	7.24	-111.60
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCOCC1	REAL300013150522	1	51	-2.0	-116.03	392.73	7.91	-108.12
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCCCC1	REAL300013150523	1	53	-2.0	-118.00	401.09	10.26	-107.74
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)(C(=O)[O-])CC1	REAL300013150524	1	53	-2.0	-121.87	391.09	8.40	-113.47
CC(CCF)(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150525	1	46	-2.0	-111.24	358.64	6.33	-104.91
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC(C3CCCCCC3)=CS1)OC=C2	REAL300013150526	1	48	-2.0	-117.46	381.62	8.84	-108.62
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150527	1	43	-2.0	-105.92	340.12	7.26	-98.66
CC1(C)CCCC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)(C(=O)[O-])C1	REAL300013150528	1	56	-2.0	-123.59	403.30	8.82	-114.77
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150529	1	45	-2.0	-125.64	352.79	8.34	-117.30
COC1CN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C(C)(C(=O)[O-])C1	REAL300013150530	1	51	-2.0	-121.46	396.79	7.32	-114.14
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150531	1	54	-2.0	-116.59	414.84	7.49	-109.10
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150532	1	49	-2.0	-116.57	378.10	6.99	-109.58
C=C(Cl)CC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150533	1	44	-2.0	-112.04	376.38	7.02	-105.02
C=C(C)CC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150534	1	47	-2.0	-113.61	380.81	7.27	-106.34
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150535	1	48	-2.0	-125.45	367.80	9.15	-116.30
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150536	1	45	-2.0	-120.72	360.39	4.23	-116.49
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150537	1	44	-2.0	-111.40	361.34	8.02	-103.38
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150538	1	44	-2.0	-116.41	354.84	7.96	-108.45
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013150539	1	45	-2.0	-122.88	361.04	8.30	-114.58
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150540	1	54	-2.0	-114.84	419.37	6.71	-108.13
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150541	1	49	-2.0	-115.08	385.79	7.28	-107.80
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCOCC1	REAL300013150542	1	51	-2.0	-117.66	391.84	5.77	-111.89
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=CC=CC=C1	REAL300013150543	1	47	-2.0	-121.64	383.85	8.06	-113.58
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150544	1	47	-2.0	-115.11	378.91	7.44	-107.67
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150545	1	46	-2.0	-114.06	392.29	6.06	-108.00
CC(C)CCCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150546	1	55	-2.0	-114.59	429.97	8.74	-105.85
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150547	1	51	-2.0	-121.28	403.26	6.33	-114.95
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150548	1	44	-2.0	-113.24	354.18	3.00	-110.24
CSCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150549	1	44	-2.0	-114.10	371.61	6.24	-107.86
COC[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150550	1	44	-2.0	-116.32	359.28	4.14	-112.18
CC[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150551	1	43	-2.0	-113.35	347.91	5.90	-107.45
CCC(C)CC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150552	1	52	-2.0	-115.42	404.60	7.92	-107.50
C=CCCCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150553	1	50	-2.0	-114.08	403.48	8.07	-106.01
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150554	1	45	-2.0	-119.33	358.55	9.21	-110.12
CC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013150555	1	50	-2.0	-123.29	392.17	8.69	-114.60
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150556	1	44	-2.0	-122.64	350.46	7.54	-115.10
CCCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150557	1	46	-2.0	-113.97	369.17	6.73	-107.24
CC(C)[C@@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150558	1	46	-2.0	-114.75	359.36	6.31	-108.44
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150559	1	48	-2.0	-128.00	370.57	9.50	-118.50
CCN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(C)(C)C(=O)[O-]	REAL300013150560	1	49	-2.0	-119.27	373.69	8.88	-110.39
CCCN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(C)C(=O)[O-]	REAL300013150561	1	49	-2.0	-108.90	379.18	8.88	-100.02
CCC[C@@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150562	1	46	-2.0	-113.93	369.41	6.66	-107.27
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150563	1	48	-2.0	-129.49	371.82	8.98	-120.51
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=CC=CC=C1	REAL300013150564	1	47	-2.0	-121.93	383.48	7.96	-113.97
CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(C)(C)C(=O)[O-]	REAL300013150565	1	46	-2.0	-117.98	355.19	8.02	-109.96
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150566	1	44	-2.0	-122.10	349.20	7.62	-114.48
CCC(C)CC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150569	1	52	-2.0	-115.42	404.60	7.92	-107.50
C#CCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150570	1	42	-2.0	-113.28	353.94	6.38	-106.90
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150571	1	43	-2.0	-105.20	340.54	7.15	-98.05
CC(C)=CCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150572	1	50	-2.0	-115.66	400.17	7.87	-107.79
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150573	1	49	-2.0	-113.03	401.22	7.21	-105.82
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150574	1	53	-2.0	-110.20	413.29	8.35	-101.85
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150575	1	52	-2.0	-107.61	398.85	9.58	-98.03
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=CC=CC=N1	REAL300013150576	1	46	-2.0	-124.83	380.46	6.40	-118.43
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150577	1	53	-2.0	-124.76	401.01	10.27	-114.49
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150580	1	49	-2.0	-113.03	401.22	7.21	-105.82
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=CC=CN=C1	REAL300013150581	1	46	-2.0	-118.29	378.98	6.19	-112.10
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150582	1	51	-2.0	-123.58	392.03	8.54	-115.04
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150583	0	51	-2.0	-125.54	401.88	11.83	-113.71
C=CCCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150584	1	47	-2.0	-113.86	382.22	7.23	-106.63
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150585	1	46	-2.0	-115.12	392.86	5.91	-109.21
CC#CCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150586	1	45	-2.0	-115.17	376.01	7.27	-107.90
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1=O	REAL300013150587	1	48	-2.0	-116.15	377.01	7.21	-108.94
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150588	1	47	-2.0	-122.02	363.49	8.36	-113.66
CC(C)[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150589	1	46	-2.0	-114.61	358.43	6.21	-108.40
O=C([O-])[C@@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=CC=CC=C1	REAL300013150590	1	47	-2.0	-121.41	383.43	8.02	-113.39
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150591	1	50	-2.0	-122.59	397.26	7.24	-115.35
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150592	1	43	-2.0	-105.92	340.12	7.26	-98.66
CCC[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150593	1	46	-2.0	-113.77	368.58	6.69	-107.08
CCN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(C)C(=O)[O-]	REAL300013150594	1	46	-2.0	-106.37	357.23	7.94	-98.43
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCCC1	REAL300013150595	1	50	-2.0	-116.79	383.69	9.55	-107.24
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150596	1	49	-2.0	-116.30	377.11	6.80	-109.50
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150597	1	46	-2.0	-106.62	360.45	8.19	-98.43
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC(CO)C1	REAL300013150598	1	48	-2.0	-123.10	379.28	3.71	-119.39
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150599	1	56	-2.0	-120.57	431.91	7.17	-113.40
CC1CCC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)(C(=O)[O-])C1	REAL300013150600	1	50	-2.0	-121.34	383.98	7.54	-113.80
CC1(C)CCCC1(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150601	1	53	-2.0	-123.87	391.78	8.15	-115.72
COCCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150602	1	47	-2.0	-112.02	381.58	4.96	-107.06
CC1(C)CC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)(C(=O)[O-])C1	REAL300013150603	1	50	-2.0	-122.37	383.43	8.14	-114.23
CC1(C(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C(=O)[O-])CC1	REAL300013150604	1	47	-2.0	-117.79	371.52	7.26	-110.53
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150605	1	56	-2.0	-120.79	431.34	7.09	-113.70
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150606	1	45	-2.0	-129.12	360.56	4.42	-124.70
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCOC1	REAL300013150607	1	48	-2.0	-112.62	375.15	4.84	-107.78
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150608	1	48	-2.0	-125.12	370.45	8.99	-116.13
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC(C3CCCCCC3)=CS1)C2	REAL300013150609	1	46	-2.0	-121.09	360.32	6.58	-114.51
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013150610	1	50	-2.0	-127.49	381.36	9.82	-117.67
CN(C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1(C(=O)[O-])CC1	REAL300013150611	1	44	-2.0	-117.55	355.54	7.78	-109.77
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150612	1	54	-2.0	-117.09	419.99	9.03	-108.06
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCC1	REAL300013150613	1	47	-2.0	-116.55	368.05	6.79	-109.76
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCCCC1	REAL300013150614	1	53	-2.0	-118.58	400.37	8.16	-110.42
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCC1	REAL300013150615	1	47	-2.0	-116.55	368.05	6.79	-109.76
CC1CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1C(=O)[O-]	REAL300013150616	1	47	-2.0	-122.89	360.22	8.34	-114.55
C=CCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150617	1	44	-2.0	-113.54	361.19	6.35	-107.19
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150618	1	54	-2.0	-119.16	422.12	7.08	-112.08
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150619	1	54	-2.0	-128.39	395.85	9.78	-118.61
CC1(C)CC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)(C(=O)[O-])CCO1	REAL300013150620	1	54	-2.0	-117.87	397.97	6.83	-111.04
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150621	1	54	-2.0	-117.09	419.99	9.03	-108.06
COC1CC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)(C(=O)[O-])C1	REAL300013150622	1	48	-2.0	-120.27	382.37	5.47	-114.80
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC(F)(F)C1	REAL300013150623	1	44	-2.0	-114.34	355.42	6.46	-107.88
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)(C(=O)[O-])C1	REAL300013150624	1	48	-2.0	-122.89	380.85	5.76	-117.13
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150625	1	50	-2.0	-124.03	376.95	9.59	-114.44
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150626	1	43	-2.0	-108.36	363.84	6.59	-101.77
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150627	1	51	-2.0	-115.05	400.87	5.96	-109.09
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)COC1	REAL300013150628	1	42	-2.0	-112.51	337.82	3.47	-109.04
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150629	1	47	-2.0	-114.61	397.94	7.90	-106.71
CC(C)C(C)(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150630	1	49	-2.0	-117.43	366.97	6.81	-110.62
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150631	1	45	-2.0	-126.20	355.69	9.02	-117.18
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150632	1	48	-2.0	-125.71	371.62	8.53	-117.18
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150633	1	56	-2.0	-117.00	427.40	9.13	-107.87
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CC2CCC1C2	REAL300013150634	1	54	-2.0	-120.15	408.58	8.67	-111.48
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150635	1	56	-2.0	-117.17	428.02	9.19	-107.98
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150636	1	56	-2.0	-117.43	427.64	9.08	-108.35
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150637	1	54	-2.0	-127.79	408.61	9.87	-117.92
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150638	1	54	-2.0	-126.37	407.32	9.65	-116.72
C=CCSCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150639	1	48	-2.0	-114.84	405.64	7.77	-107.07
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150640	1	49	-2.0	-107.28	374.23	8.90	-98.38
COC1(C(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C(=O)[O-])CCC1	REAL300013150641	1	51	-2.0	-115.11	394.84	5.54	-109.57
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC(C(F)F)C1	REAL300013150642	1	47	-2.0	-117.02	377.11	7.16	-109.86
O=C([O-])C1CC(NC(=O)NC2=NC(C3CCCCCC3)=CS2)(C(=O)[O-])C1	REAL300013150643	0	47	-2.0	-109.85	377.75	8.11	-101.74
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)(C(=O)[O-])C1	REAL300013150643	1	46	-3.0	-194.65	374.51	6.91	-187.74
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150644	1	44	-2.0	-116.41	354.84	7.96	-108.45
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150645	1	46	-2.0	-124.12	364.35	8.74	-115.38
CC1(C)CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1C(=O)[O-]	REAL300013150646	1	50	-2.0	-125.09	382.48	8.67	-116.42
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150647	1	54	-2.0	-129.49	404.75	10.86	-118.63
CC(C)CCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150648	1	52	-2.0	-114.63	408.48	7.96	-106.67
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150649	1	51	-2.0	-128.62	398.16	9.45	-119.17
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150650	1	51	-2.0	-115.05	400.87	5.96	-109.09
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013150651	1	48	-2.0	-118.30	392.62	8.87	-109.43
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150652	1	44	-2.0	-109.82	349.82	2.35	-107.47
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150653	1	41	-2.0	-117.17	337.52	1.74	-115.43
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCCC2CC21	REAL300013150654	1	51	-2.0	-124.00	383.26	8.66	-115.34
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCC2CC21	REAL300013150655	1	48	-2.0	-121.84	371.55	7.52	-114.32
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC2(CCC2)C1	REAL300013150656	1	51	-2.0	-122.07	391.66	8.12	-113.95
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCCC1	REAL300013150657	1	50	-2.0	-117.42	384.11	7.43	-109.99
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150658	1	47	-2.0	-117.16	376.82	5.13	-112.03
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150659	1	47	-2.0	-119.78	364.50	7.16	-112.62
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150660	1	50	-2.0	-117.81	406.95	11.02	-106.79
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013150661	1	50	-2.0	-127.31	386.72	8.68	-118.63
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150662	1	47	-2.0	-117.83	369.80	9.37	-108.46
O=C([O-])C1N(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCC1(F)F	REAL300013150663	1	44	-2.0	-118.73	358.15	7.94	-110.79
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150664	1	47	-2.0	-113.74	395.73	7.84	-105.90
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150665	1	47	-2.0	-111.15	377.69	8.55	-102.60
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150666	1	47	-2.0	-113.74	395.73	7.84	-105.90
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150667	1	51	-2.0	-126.87	386.80	9.28	-117.59
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=CC=C(O)C=C1	REAL300013150668	1	48	-2.0	-118.73	394.84	5.20	-113.53
COCCCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150669	1	50	-2.0	-114.92	403.08	5.74	-109.18
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150670	1	49	-2.0	-107.16	382.99	9.11	-98.05
CCOCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150671	1	47	-2.0	-117.26	381.49	5.17	-112.09
CC(C)(C)CC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150672	1	52	-2.0	-115.70	398.50	8.37	-107.33
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CCCCO1	REAL300013150673	1	51	-2.0	-120.99	396.36	5.98	-115.01
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC2=CC=CC=C2C1	REAL300013150674	1	51	-2.0	-124.45	402.02	9.07	-115.38
C[C@H]1OCCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)[C@@H]1C(=O)[O-]	REAL300013150675	1	48	-2.0	-122.44	371.53	7.42	-115.02
N#CCCC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150676	1	44	-2.0	-108.29	368.52	6.47	-101.82
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150677	1	47	-2.0	-117.43	388.62	9.16	-108.27
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013150678	1	43	-2.0	-105.65	339.01	7.18	-98.47
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013150679	1	51	-2.0	-123.94	403.48	7.82	-116.12
COCC(C)(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150680	1	47	-2.0	-119.91	387.80	6.58	-113.33
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150681	1	50	-2.0	-109.81	409.92	8.61	-101.20
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150682	1	49	-2.0	-116.03	401.37	10.17	-105.86
CC(C)(C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1)C1=CC=CC=C1	REAL300013150683	1	44	-2.0	-113.69	371.08	9.48	-104.21
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1)C1=CC=CC=C1	REAL300013150684	1	45	-2.0	-116.73	371.06	5.43	-111.30
C=CCOCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150685	1	48	-2.0	-118.66	412.03	6.80	-111.86
CC(C)(C1=CSC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150686	1	48	-2.0	-133.81	385.95	7.86	-125.95
C=CC(C)C(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150687	1	47	-2.0	-114.50	396.93	8.13	-106.37
CC1CCN(C(=O)[N-]C2=NC(C(C)(C)C3=CC=CC=C3)=CS2)C(C(=O)[O-])C1	REAL300013150688	1	50	-2.0	-128.49	398.87	11.07	-117.42
CC(C)C(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150689	1	46	-2.0	-115.94	382.48	7.58	-108.36
CC(C)(C1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150690	1	47	-2.0	-127.95	377.94	10.44	-117.51
CC(C)(C1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150691	1	45	-2.0	-120.05	378.08	10.42	-109.63
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1)C1=CC=CC=C1	REAL300013150692	1	50	-2.0	-121.98	394.93	9.13	-112.85
CC(C)(C1=CSC([N-]C(=O)N2CCCC2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150693	1	44	-2.0	-123.23	366.03	8.99	-114.24
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1)C1=CC=CC=C1	REAL300013150694	1	47	-2.0	-121.34	380.42	8.03	-113.31
CC(C)(C1=CSC([N-]C(=O)NCC(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150695	1	37	-2.0	-100.10	322.79	5.17	-94.93
CC(C)(C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1)C1=CC=CC=C1	REAL300013150696	1	47	-2.0	-122.71	401.59	9.09	-113.62
CC(C)(C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1)C1=CC=CC=C1	REAL300013150697	1	47	-2.0	-123.03	400.94	9.13	-113.90
CCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150698	1	43	-2.0	-114.40	365.17	7.07	-107.33
CC(C)C(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150699	1	46	-2.0	-115.94	382.48	7.58	-108.36
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150700	1	40	-2.0	-111.44	343.66	8.14	-103.30
CC(C)(C1=CSC([N-]C(=O)NC(CO)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150701	1	41	-2.0	-118.16	355.02	2.85	-115.31
CC(C)(C1=CSC([N-]C(=O)NC(CO)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150702	1	41	-2.0	-118.16	355.02	2.85	-115.31
CC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150703	1	40	-2.0	-101.18	343.58	6.00	-95.18
CCC(C)C(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150704	1	49	-2.0	-116.78	395.36	8.04	-108.74
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150705	1	40	-2.0	-111.44	343.66	8.14	-103.30
CC(C)(C1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150706	1	47	-2.0	-127.95	377.94	10.44	-117.51
CCCC(C)(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150707	1	49	-2.0	-118.55	391.05	8.05	-110.50
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150708	1	46	-2.0	-113.36	375.69	9.46	-103.90
CC(C)(C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1)C1=CC=CC=C1	REAL300013150709	1	44	-2.0	-113.69	371.08	9.48	-104.21
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150710	1	44	-2.0	-116.25	378.27	9.68	-106.57
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150711	1	49	-2.0	-116.03	401.37	10.17	-105.86
CC(C)(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150712	1	43	-2.0	-98.88	356.16	6.39	-92.49
CC(C)(C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1)C1=CC=CC=C1	REAL300013150713	1	47	-2.0	-119.86	382.40	8.12	-111.74
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1)C1=CC=CC=C1	REAL300013150714	1	50	-2.0	-121.98	394.93	9.13	-112.85
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150715	1	46	-2.0	-113.36	375.69	9.46	-103.90
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150716	1	46	-2.0	-116.09	386.96	9.88	-106.21
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150717	1	43	-2.0	-112.50	365.46	9.12	-103.38
CC(C)(C1=CSC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150718	1	41	-2.0	-118.86	354.54	2.84	-116.02
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150719	1	49	-2.0	-117.16	395.01	7.97	-109.19
CC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150720	1	40	-2.0	-101.18	343.58	6.00	-95.18
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1)C1=CC=CC=C1	REAL300013150721	1	47	-2.0	-121.34	380.42	8.03	-113.31
CCC(C)(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150722	1	46	-2.0	-116.97	369.56	7.29	-109.68
C[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150723	1	40	-2.0	-101.32	343.42	6.01	-95.31
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150724	1	43	-2.0	-112.50	365.46	9.12	-103.38
CC(C)(C1=CSC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150725	1	45	-2.0	-123.90	377.31	5.60	-118.30
C[C@@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150726	1	40	-2.0	-101.34	343.89	5.95	-95.39
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1)C1=CC=CC=C1	REAL300013150727	1	41	-2.0	-120.46	349.74	7.09	-113.37
CC(C)(C1=CSC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150728	1	45	-2.0	-120.87	368.65	7.69	-113.18
CC(C)(C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1)C1=CC=CC=C1	REAL300013150729	1	44	-2.0	-116.79	369.65	7.49	-109.30
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150730	1	47	-2.0	-117.29	396.83	8.29	-109.00
CC(C)(C1=CSC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150731	1	44	-2.0	-122.96	366.78	8.74	-114.22
CC(C)(C1=CSC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150732	1	47	-2.0	-127.03	377.43	10.16	-116.87
CC(C)(C1=CSC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150733	1	45	-2.0	-121.87	377.27	5.61	-116.26
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150734	1	43	-2.0	-106.18	358.56	8.36	-97.82
CC(C)(C1=CSC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150735	1	44	-2.0	-123.23	366.04	8.99	-114.24
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1)C1=CC=CC=C1	REAL300013150736	1	44	-2.0	-121.11	366.59	7.61	-113.50
C=CCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150737	1	44	-2.0	-114.47	378.45	7.53	-106.94
CC(C)(C1=CSC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150738	1	47	-2.0	-122.98	383.17	9.54	-113.44
CC(C)(C1=CSC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150739	1	50	-2.0	-126.28	392.19	11.03	-115.25
CC(C)(C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1)C1=CC=CC=C1	REAL300013150740	1	44	-2.0	-116.79	369.65	7.49	-109.30
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150741	1	43	-2.0	-106.09	358.05	8.25	-97.84
CCCCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150742	1	49	-2.0	-115.08	408.19	8.62	-106.46
CC(C)(C1=CSC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150743	1	47	-2.0	-123.03	383.11	9.54	-113.49
CC(C)(C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1)C1=CC=CC=C1	REAL300013150744	1	50	-2.0	-117.26	401.79	10.68	-106.58
COCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150745	1	44	-2.0	-117.30	377.14	5.30	-112.00
CCCCCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150746	1	52	-2.0	-115.09	429.67	9.40	-105.69
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150747	1	49	-2.0	-117.98	396.21	8.12	-109.86
CN(C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C1(C(=O)[O-])CCCC1	REAL300013150748	1	50	-2.0	-124.39	393.20	10.23	-114.16
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C1CC1	REAL300013150749	1	47	-2.0	-108.62	376.58	9.41	-99.21
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C1CC1	REAL300013150750	1	50	-2.0	-110.50	399.93	11.16	-99.34
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150751	1	46	-2.0	-116.09	386.96	9.88	-106.21
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C1CCC1	REAL300013150752	1	50	-2.0	-108.58	399.39	10.27	-98.31
CCCN(C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(CC)C(=O)[O-]	REAL300013150753	1	52	-2.0	-110.59	413.19	10.82	-99.77
CC(C)(C1=CSC([N-]C(=O)NCC(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150754	1	37	-2.0	-100.10	322.79	5.17	-94.93
CC(C)C[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150755	1	49	-2.0	-116.69	403.29	8.33	-108.36
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1)C1=CC=CC=C1	REAL300013150756	1	48	-2.0	-117.71	386.36	6.64	-111.07
C=CCCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150757	1	47	-2.0	-114.85	399.72	8.34	-106.51
CC(C)(C1=CSC([N-]C(=O)NC(CF)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150758	1	40	-2.0	-100.52	347.20	6.01	-94.51
CCC(CC)(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150759	1	49	-2.0	-119.54	386.22	8.18	-111.36
CCC(COC)(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150760	1	50	-2.0	-122.39	404.47	7.48	-114.91
CC(C)(C1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150761	1	47	-2.0	-116.35	396.19	8.58	-107.77
COCCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150762	1	47	-2.0	-112.94	399.09	6.08	-106.86
CC(C)(C1=CSC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150763	1	43	-2.0	-110.34	375.79	7.60	-102.74
CC(C)(C1=CSC([N-]C(=O)NC(CCF)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150764	1	43	-2.0	-109.81	372.00	7.16	-102.65
CC(C)(C1=CSC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150765	1	46	-2.0	-111.99	376.14	7.43	-104.56
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150766	1	43	-2.0	-107.28	357.62	8.37	-98.91
CC(C)(C1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1)C1=CC=CC=C1	REAL300013150767	1	45	-2.0	-125.30	370.33	9.59	-115.71
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150768	1	49	-2.0	-117.98	396.21	8.12	-109.86
C=C(Cl)CC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150769	1	44	-2.0	-112.77	393.66	8.19	-104.58
C=C(C)CC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150770	1	47	-2.0	-114.53	396.16	8.48	-106.05
CC(C)(C1=CSC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1)C1=CC=CC=C1	REAL300013150771	1	48	-2.0	-128.12	387.80	10.38	-117.74
CC(C)(C1=CSC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150772	1	45	-2.0	-121.92	378.06	5.35	-116.57
CC(C)(C1=CSC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150773	1	44	-2.0	-112.83	378.98	9.14	-103.69
CC(C)(C1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150774	1	44	-2.0	-117.91	372.48	9.08	-108.83
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)(C)C3=CC=CC=C3)=CS2)C1	REAL300013150775	1	45	-2.0	-124.14	379.24	9.43	-114.71
CC(C)C[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150776	1	49	-2.0	-116.69	403.29	8.33	-108.36
CC(C)(C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1)C1=CC=CC=C1	REAL300013150777	1	47	-2.0	-123.03	400.94	9.13	-113.90
CC(C)(C1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150778	1	47	-2.0	-116.35	396.19	8.58	-107.77
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150779	1	44	-2.0	-119.96	374.06	3.90	-116.06
CSCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150780	1	44	-2.0	-115.07	388.87	7.43	-107.64
COC[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150781	1	44	-2.0	-117.88	376.79	5.25	-112.63
CC[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150782	1	43	-2.0	-115.10	365.41	7.01	-108.09
CCC(C)CC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150783	1	52	-2.0	-116.52	422.35	8.97	-107.55
C=CCCCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150784	1	50	-2.0	-114.91	420.98	9.18	-105.73
CC(C)(C1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150785	1	45	-2.0	-120.05	378.08	10.42	-109.63
CC(C)(C1=CSC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150786	1	44	-2.0	-122.96	366.78	8.74	-114.22
CCCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150787	1	46	-2.0	-114.90	386.91	7.78	-107.12
CC(C)[C@@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150788	1	46	-2.0	-115.78	377.53	7.34	-108.44
CC(C)(C1=CSC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150789	1	48	-2.0	-129.00	388.74	10.64	-118.36
CCN(C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(C)(C)C(=O)[O-]	REAL300013150790	1	49	-2.0	-120.39	391.78	10.06	-110.33
CCCN(C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(C)C(=O)[O-]	REAL300013150791	1	49	-2.0	-109.89	396.18	9.88	-100.01
CCC[C@@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150792	1	46	-2.0	-114.90	386.92	7.77	-107.13
CC(C)(C1=CSC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150793	1	48	-2.0	-128.68	389.48	10.09	-118.59
CC(C)(C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1)C1=CC=CC=C1	REAL300013150794	1	47	-2.0	-122.71	401.59	9.09	-113.62
CN(C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(C)(C)C(=O)[O-]	REAL300013150795	1	46	-2.0	-119.24	372.94	9.19	-110.05
CC(C)(C1=CSC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150796	1	44	-2.0	-123.23	366.04	8.99	-114.24
CCC(C)CC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150799	1	52	-2.0	-116.52	422.35	8.97	-107.55
C#CCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150800	1	42	-2.0	-114.28	371.68	7.43	-106.85
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150801	1	43	-2.0	-106.09	358.05	8.25	-97.84
CC(C)=CCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150802	1	50	-2.0	-116.53	417.85	8.98	-107.55
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150803	1	52	-2.0	-110.57	417.78	10.77	-99.80
CC(C)(C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1)C1=CC=CC=C1	REAL300013150804	1	46	-2.0	-126.20	397.71	7.57	-118.63
CC(C)(C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1)C1=CC=CC=C1	REAL300013150806	1	46	-2.0	-119.19	396.47	7.29	-111.90
C=CCCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150807	1	47	-2.0	-114.85	399.72	8.34	-106.51
CC#CCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150808	1	45	-2.0	-116.13	393.27	8.44	-107.69
CC(C)(C1=CSC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150809	1	47	-2.0	-122.30	383.14	9.53	-112.77
CC(C)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150810	1	46	-2.0	-116.41	378.10	7.34	-109.07
CC(C)(C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1)C1=CC=CC=C1	REAL300013150811	1	47	-2.0	-123.04	400.95	9.13	-113.91
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150812	1	43	-2.0	-107.28	357.62	8.37	-98.91
CCC[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150813	1	46	-2.0	-115.57	386.92	7.77	-107.80
CCN(C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(C)C(=O)[O-]	REAL300013150814	1	46	-2.0	-107.28	375.24	9.15	-98.13
CC(C)(C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1)C1=CC=CC=C1	REAL300013150815	1	50	-2.0	-117.26	401.79	10.68	-106.58
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150816	1	49	-2.0	-117.16	395.01	7.97	-109.19
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150817	1	46	-2.0	-108.13	377.91	9.45	-98.68
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1)C1=CC=CC=C1	REAL300013150818	1	48	-2.0	-123.67	398.82	4.90	-118.77
CC1CCC(NC(=O)[N-]C2=NC(C(C)(C)C3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013150819	1	50	-2.0	-122.57	400.45	8.63	-113.94
COCCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150820	1	47	-2.0	-112.94	399.09	6.08	-106.86
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1)C1=CC=CC=C1	REAL300013150821	1	50	-2.0	-122.85	402.97	9.32	-113.53
CC(C)(C1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1)C1=CC=CC=C1	REAL300013150822	1	47	-2.0	-118.80	389.01	8.37	-110.43
CC(C)(C1=CSC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150823	1	45	-2.0	-129.65	376.69	5.54	-124.11
CC(C)(C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1)C1=CC=CC=C1	REAL300013150824	1	48	-2.0	-113.44	392.58	6.02	-107.42
CC(C)(C1=CSC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150825	1	48	-2.0	-126.71	388.15	10.08	-116.63
CC(C)(C1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1)C1=CC=CC=C1	REAL300013150826	1	46	-2.0	-122.52	379.55	7.92	-114.60
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)(C)C3=CC=CC=C3)=CS2)C1	REAL300013150827	1	50	-2.0	-129.36	398.88	11.06	-118.30
CN(C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C1(C(=O)[O-])CC1	REAL300013150828	1	44	-2.0	-118.96	373.05	8.88	-110.08
CC(C)(C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1)C1=CC=CC=C1	REAL300013150829	1	47	-2.0	-117.40	385.55	7.90	-109.50
CC(C)(C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1)C1=CC=CC=C1	REAL300013150830	1	47	-2.0	-117.40	385.55	7.90	-109.50
CC1CCN(C(=O)[N-]C2=NC(C(C)(C)C3=CC=CC=C3)=CS2)C1C(=O)[O-]	REAL300013150831	1	47	-2.0	-124.03	379.77	9.53	-114.50
C=CCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150832	1	44	-2.0	-114.47	378.45	7.53	-106.94
COC1CC(NC(=O)[N-]C2=NC(C(C)(C)C3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013150833	1	48	-2.0	-118.48	398.14	6.49	-111.99
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1)C1=CC=CC=C1	REAL300013150834	1	44	-2.0	-114.84	374.97	7.64	-107.20
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C(C)(C)C3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013150835	1	48	-2.0	-124.21	398.83	6.87	-117.34
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150836	1	50	-2.0	-125.02	396.95	10.59	-114.43
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1)C1=CC=CC=C1	REAL300013150837	1	42	-2.0	-113.15	357.36	4.65	-108.50
CC(C)C(C)(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150838	1	49	-2.0	-118.32	384.48	7.92	-110.40
CC(C)(C1=CSC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150839	1	45	-2.0	-127.36	373.27	10.09	-117.27
CC(C)(C1=CSC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150840	1	48	-2.0	-126.58	389.12	9.64	-116.94
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150841	1	49	-2.0	-108.13	392.24	10.12	-98.01
CC(C)(C1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150842	1	44	-2.0	-117.91	372.48	9.08	-108.83
CC(C)(C1=CSC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150843	1	46	-2.0	-124.99	381.84	9.85	-115.14
CC(C)(C1=CSC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150844	1	50	-2.0	-126.37	402.20	9.69	-116.68
CC(C)CCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150845	1	52	-2.0	-115.55	425.98	9.08	-106.47
CC(C)(C1=CSC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150846	1	51	-2.0	-129.73	415.68	10.55	-119.18
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150847	1	44	-2.0	-110.96	369.36	3.54	-107.42
CC(C)(C1=CSC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150848	1	41	-2.0	-118.86	354.54	2.84	-116.02
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1)C1=CC=CC=C1	REAL300013150849	1	51	-2.0	-125.63	400.76	9.77	-115.86
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1)C1=CC=CC=C1	REAL300013150850	1	48	-2.0	-124.15	387.91	8.87	-115.28
CC(C)(C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1)C1=CC=CC=C1	REAL300013150851	1	51	-2.0	-122.83	409.17	9.24	-113.59
CC(C)(C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1)C1=CC=CC=C1	REAL300013150852	1	50	-2.0	-118.34	401.58	8.59	-109.75
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150853	1	47	-2.0	-118.51	394.93	6.26	-112.25
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150854	1	47	-2.0	-120.82	378.20	8.27	-112.55
CC(C)(C1=CSC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150855	1	50	-2.0	-126.24	406.26	9.86	-116.38
CC(C)(C1=CSC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150856	1	44	-2.0	-119.96	377.70	9.13	-110.83
CC(C)(C1=CSC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150857	1	51	-2.0	-127.57	404.31	10.39	-117.18
COCCCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150858	1	50	-2.0	-115.89	420.61	6.84	-109.05
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150859	1	49	-2.0	-107.93	400.51	10.22	-97.71
CCOCC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150860	1	47	-2.0	-118.10	398.99	6.27	-111.83
CC(C)(C)CC(NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150861	1	52	-2.0	-117.26	416.41	9.49	-107.77
C[C@H]1OCCN(C(=O)[N-]C2=NC(C(C)(C)C3=CC=CC=C3)=CS2)[C@@H]1C(=O)[O-]	REAL300013150862	1	48	-2.0	-123.71	388.99	8.66	-115.05
CC(C)(C1=CSC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013150863	1	44	-2.0	-109.01	386.02	7.57	-101.44
CC(C)(C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1)C1=CC=CC=C1	REAL300013150864	1	47	-2.0	-118.62	406.12	10.26	-108.36
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013150865	1	43	-2.0	-106.18	358.56	8.36	-97.82
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C1CC1	REAL300013150866	1	44	-2.0	-112.80	365.63	8.83	-103.97
CC(C)C(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150867	1	46	-2.0	-115.29	376.58	6.82	-108.47
O=C([O-])C1CCCN1C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150868	1	44	-2.0	-122.56	365.05	8.47	-114.09
O=C([O-])CNC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150869	1	37	-2.0	-100.16	321.86	4.66	-95.50
CCC(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150870	1	43	-2.0	-113.90	364.22	6.55	-107.35
CC(C)C(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150871	1	46	-2.0	-115.29	376.58	6.82	-108.47
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150872	1	40	-2.0	-110.91	342.70	7.62	-103.29
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150873	1	41	-2.0	-117.71	354.07	2.33	-115.38
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150874	1	41	-2.0	-117.71	354.07	2.33	-115.38
CC(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150875	1	40	-2.0	-101.33	342.95	5.43	-95.90
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150876	1	40	-2.0	-110.91	342.70	7.62	-103.29
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150877	1	46	-2.0	-112.61	374.74	8.94	-103.67
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C1CC1	REAL300013150878	1	44	-2.0	-112.80	365.63	8.83	-103.97
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150879	1	44	-2.0	-117.14	377.32	9.16	-107.98
CC(C)(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150880	1	43	-2.0	-98.92	355.21	5.87	-93.05
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150881	1	46	-2.0	-112.61	374.74	8.94	-103.67
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150882	1	46	-2.0	-117.10	386.01	9.36	-107.74
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150883	1	43	-2.0	-111.84	364.51	8.60	-103.24
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150884	1	41	-2.0	-118.61	354.07	2.33	-116.28
CC(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150885	1	40	-2.0	-101.33	342.95	5.43	-95.90
CCC(C)(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150886	1	46	-2.0	-116.23	368.60	6.78	-109.45
C[C@H](NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150887	1	40	-2.0	-101.44	342.64	5.48	-95.96
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150888	1	43	-2.0	-111.84	364.51	8.60	-103.24
C[C@@H](NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150889	1	40	-2.0	-101.29	342.95	5.43	-95.86
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)CC1	REAL300013150890	1	41	-2.0	-119.65	348.78	6.57	-113.08
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C1CC1	REAL300013150891	1	44	-2.0	-116.66	370.85	6.99	-109.67
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150892	1	44	-2.0	-121.34	373.49	8.11	-113.23
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150893	1	43	-2.0	-105.87	357.61	7.84	-98.03
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150894	1	44	-2.0	-122.26	365.87	8.22	-114.04
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)CCC1	REAL300013150895	1	44	-2.0	-120.21	365.59	7.09	-113.12
C=CCC(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150896	1	44	-2.0	-113.97	377.50	7.01	-106.96
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C1CC1	REAL300013150897	1	44	-2.0	-116.66	370.85	6.99	-109.67
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150898	1	43	-2.0	-105.83	357.61	7.84	-97.99
COCC(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150899	1	44	-2.0	-116.73	376.32	4.73	-112.00
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150900	1	46	-2.0	-117.10	386.01	9.36	-107.74
O=C([O-])CNC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150901	1	37	-2.0	-100.16	321.86	4.66	-95.50
O=C([O-])C(CF)NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150902	1	40	-2.0	-100.44	346.25	5.49	-94.95
O=C([O-])C(CCF)NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150903	1	43	-2.0	-109.31	370.81	6.69	-102.62
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150904	1	43	-2.0	-107.07	356.54	7.79	-99.28
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150905	1	44	-2.0	-114.30	371.22	3.60	-110.70
COC[C@H](NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150906	1	44	-2.0	-117.58	376.32	4.72	-112.86
CC[C@H](NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150907	1	43	-2.0	-114.71	363.63	6.51	-108.20
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150908	1	44	-2.0	-121.34	373.49	8.11	-113.23
CCCC(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150909	1	46	-2.0	-114.44	385.96	7.25	-107.19
CC(C)[C@@H](NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150910	1	46	-2.0	-114.73	379.59	7.10	-107.63
CCC[C@@H](NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150911	1	46	-2.0	-114.32	385.72	7.32	-107.00
CN(C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(C)(C)C(=O)[O-]	REAL300013150912	1	46	-2.0	-116.60	371.39	8.64	-107.96
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150913	1	44	-2.0	-122.26	365.87	8.22	-114.04
C#CCC(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150914	1	42	-2.0	-113.87	370.74	6.90	-106.97
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150915	1	43	-2.0	-105.83	357.61	7.84	-97.99
CC(C)[C@H](NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150916	1	46	-2.0	-114.75	379.57	7.10	-107.65
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150917	1	43	-2.0	-107.07	356.54	7.79	-99.28
CCC[C@H](NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150918	1	46	-2.0	-115.16	385.13	7.28	-107.88
CCN(C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(C)C(=O)[O-]	REAL300013150919	1	46	-2.0	-106.76	373.78	8.53	-98.23
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150920	1	46	-2.0	-107.90	377.00	8.78	-99.12
CN(C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C1(C(=O)[O-])CC1	REAL300013150921	1	44	-2.0	-117.59	372.10	8.36	-109.23
C=CCC(NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150922	1	44	-2.0	-113.97	377.50	7.01	-106.96
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)COC1	REAL300013150923	1	42	-2.0	-112.97	356.39	4.13	-108.84
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013150924	1	44	-2.0	-111.26	370.38	3.12	-108.14
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150925	1	41	-2.0	-118.61	354.07	2.33	-116.28
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013150926	1	43	-2.0	-105.87	357.61	7.84	-98.03
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C1CC1	REAL300013150927	1	44	-2.0	-116.34	369.54	9.00	-107.34
CC(C)C(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150928	1	46	-2.0	-112.95	383.57	6.79	-106.16
O=C([O-])C1CCCN1C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150929	1	44	-2.0	-127.38	365.07	8.49	-118.89
O=C([O-])CNC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150930	1	37	-2.0	-97.56	329.51	4.55	-93.01
CCC(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150931	1	43	-2.0	-111.83	372.13	6.39	-105.44
CC(C)C(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150932	1	46	-2.0	-112.95	383.57	6.79	-106.16
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150933	1	40	-2.0	-108.88	350.36	7.51	-101.37
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150934	1	41	-2.0	-115.65	361.60	2.26	-113.39
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150935	1	41	-2.0	-115.65	361.60	2.26	-113.39
CC(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150936	1	40	-2.0	-98.76	350.30	5.37	-93.39
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150937	1	40	-2.0	-108.88	350.36	7.51	-101.37
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150938	1	46	-2.0	-110.68	382.40	8.83	-101.85
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C1CC1	REAL300013150939	1	44	-2.0	-116.34	369.54	9.00	-107.34
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150940	1	44	-2.0	-113.12	384.98	9.05	-104.07
CC(C)(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150941	1	43	-2.0	-96.47	362.88	5.76	-90.71
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150942	1	46	-2.0	-110.68	382.40	8.83	-101.85
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150943	1	46	-2.0	-113.00	393.67	9.25	-103.75
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150944	1	43	-2.0	-110.00	372.17	8.49	-101.51
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150945	1	41	-2.0	-115.61	361.25	2.21	-113.40
CC(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150946	1	40	-2.0	-98.76	350.30	5.37	-93.39
CCC(C)(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150947	1	46	-2.0	-114.30	376.26	6.66	-107.64
C[C@H](NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150948	1	40	-2.0	-98.76	350.30	5.37	-93.39
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150949	1	43	-2.0	-110.00	372.17	8.49	-101.51
C[C@@H](NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150950	1	40	-2.0	-98.95	350.61	5.32	-93.63
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)CC1	REAL300013150951	1	41	-2.0	-123.53	348.77	6.60	-116.93
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C1CC1	REAL300013150952	1	44	-2.0	-114.24	376.35	6.86	-107.38
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150953	1	44	-2.0	-120.14	373.49	8.11	-112.03
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150954	1	43	-2.0	-103.67	364.76	7.62	-96.05
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150955	1	44	-2.0	-119.75	372.73	8.36	-111.39
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)CCC1	REAL300013150956	1	44	-2.0	-123.98	365.58	7.11	-116.87
C=CCC(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150957	1	44	-2.0	-111.89	385.41	6.84	-105.05
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C1CC1	REAL300013150958	1	44	-2.0	-114.24	376.35	6.86	-107.38
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150959	1	43	-2.0	-103.67	364.76	7.62	-96.05
COCC(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150960	1	44	-2.0	-114.53	383.99	4.62	-109.91
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150961	1	46	-2.0	-113.00	393.67	9.25	-103.75
O=C([O-])CNC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150962	1	37	-2.0	-97.56	329.51	4.55	-93.01
O=C([O-])C(CF)NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150963	1	40	-2.0	-98.19	354.23	5.35	-92.84
O=C([O-])C(CCF)NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150964	1	43	-2.0	-107.29	378.48	6.58	-100.71
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150965	1	43	-2.0	-104.38	364.34	7.74	-96.64
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150966	1	44	-2.0	-111.38	378.89	3.49	-107.89
COC[C@H](NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150967	1	44	-2.0	-114.54	383.98	4.61	-109.93
CC[C@H](NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150968	1	43	-2.0	-111.85	372.13	6.38	-105.47
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150969	1	44	-2.0	-120.14	373.49	8.11	-112.03
CCCC(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150970	1	46	-2.0	-112.21	393.39	7.21	-105.00
CC(C)[C@@H](NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150971	1	46	-2.0	-112.67	387.25	6.99	-105.68
CCC[C@@H](NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150972	1	46	-2.0	-112.31	393.62	7.15	-105.16
CN(C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(C)(C)C(=O)[O-]	REAL300013150973	1	46	-2.0	-115.91	379.42	8.50	-107.41
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150974	1	44	-2.0	-119.75	372.73	8.36	-111.39
C#CCC(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150975	1	42	-2.0	-111.56	378.16	6.85	-104.71
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150976	1	43	-2.0	-103.67	364.76	7.62	-96.05
CC(C)[C@H](NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150977	1	46	-2.0	-113.27	389.16	6.96	-106.31
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150978	1	43	-2.0	-104.38	364.34	7.74	-96.64
CCC[C@H](NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150979	1	46	-2.0	-112.15	392.79	7.16	-104.99
CCN(C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(C)C(=O)[O-]	REAL300013150980	1	46	-2.0	-104.90	381.95	8.52	-96.38
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150981	1	46	-2.0	-105.07	384.67	8.67	-96.40
CN(C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C1(C(=O)[O-])CC1	REAL300013150982	1	44	-2.0	-118.31	371.96	8.42	-109.89
C=CCC(NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150983	1	44	-2.0	-111.89	385.41	6.84	-105.05
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)COC1	REAL300013150984	1	42	-2.0	-116.02	356.40	4.16	-111.86
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013150985	1	44	-2.0	-116.67	382.09	3.15	-113.52
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150986	1	41	-2.0	-115.61	361.25	2.21	-113.40
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013150987	1	43	-2.0	-103.67	364.76	7.62	-96.05
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013150988	1	53	-2.0	-117.08	415.07	8.66	-108.42
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013150989	1	50	-2.0	-118.02	405.99	11.23	-106.79
CC1=CC=C(C(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)C(=O)[O-])C=C1	REAL300013150990	1	47	-2.0	-121.87	392.10	8.29	-113.58
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013150991	1	40	-2.0	-108.25	350.43	6.23	-102.02
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCSCC1	REAL300013150992	1	45	-2.0	-114.71	361.96	7.27	-107.44
COCC(C)(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013150993	1	44	-2.0	-119.01	357.13	5.03	-113.98
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013150994	1	47	-2.0	-109.21	379.85	7.15	-102.06
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013150995	1	46	-2.0	-114.89	370.70	8.62	-106.27
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CC1	REAL300013150996	1	41	-2.0	-112.90	340.05	7.92	-104.98
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013150997	1	43	-2.0	-109.55	374.42	8.71	-100.84
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCOC1	REAL300013150998	1	42	-2.0	-115.24	340.39	3.89	-111.35
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CCCCC1	REAL300013150999	1	50	-2.0	-118.31	387.82	7.74	-110.57
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1=CC=C(O)C=C1	REAL300013151000	1	45	-2.0	-118.58	381.71	4.76	-113.82
CN(C(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(COC1CCC1)C(=O)[O-]	REAL300013151001	1	51	-2.0	-110.28	406.40	8.46	-101.82
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151002	1	51	-2.0	-131.08	410.17	11.81	-119.27
C=CCOCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151003	1	45	-2.0	-117.94	381.22	5.30	-112.64
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151004	1	45	-2.0	-131.84	355.11	6.26	-125.58
C=CC(C)C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151005	1	44	-2.0	-113.53	366.28	6.61	-106.92
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CCOCC1	REAL300013151006	1	48	-2.0	-117.53	378.67	5.33	-112.20
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1=CC=C(F)C(F)=C1	REAL300013151007	1	44	-2.0	-111.52	382.99	7.70	-103.82
COC1CCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C(C(=O)[O-])C1	REAL300013151008	1	48	-2.0	-126.05	379.82	7.81	-118.24
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CCCOC1	REAL300013151009	1	48	-2.0	-114.35	379.22	5.27	-109.08
CC1CCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C(C(=O)[O-])C1	REAL300013151010	1	47	-2.0	-127.28	368.27	9.42	-117.86
CC1=CC(C(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)C(=O)[O-])=CC=C1F	REAL300013151011	1	47	-2.0	-114.78	397.38	8.31	-106.47
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CC(CCF)(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151118	1	43	-2.0	-111.23	345.47	5.89	-105.34
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC(C3CCCCC3)=CS1)OC=C2	REAL300013151119	1	45	-2.0	-117.06	370.48	8.48	-108.58
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)C(=O)[O-])=C1	REAL300013151120	1	48	-2.0	-123.15	400.38	6.83	-116.32
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151121	1	40	-2.0	-105.82	326.95	6.82	-99.00
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300013151122	1	50	-2.0	-122.08	402.04	9.41	-112.67
CC1(C)CCCC(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)(C(=O)[O-])C1	REAL300013151123	1	53	-2.0	-123.16	392.18	8.46	-114.70
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151124	1	42	-2.0	-125.26	341.66	7.98	-117.28
COC1CN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C(C)(C(=O)[O-])C1	REAL300013151125	1	48	-2.0	-122.57	384.24	7.03	-115.54
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151126	1	51	-2.0	-116.59	401.92	6.97	-109.62
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151127	1	46	-2.0	-116.24	365.53	6.57	-109.67
C=C(Cl)CC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151128	1	41	-2.0	-111.91	363.21	6.59	-105.32
C=C(C)CC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151129	1	44	-2.0	-113.53	365.49	6.93	-106.60
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151130	1	45	-2.0	-125.22	355.24	8.73	-116.49
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151131	1	42	-2.0	-120.65	347.37	3.80	-116.85
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151132	1	41	-2.0	-111.29	348.33	7.60	-103.69
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151133	1	41	-2.0	-116.38	341.82	7.53	-108.85
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300013151134	1	42	-2.0	-122.53	348.56	7.89	-114.64
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151135	1	51	-2.0	-114.68	405.38	6.30	-108.38
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151136	1	46	-2.0	-115.00	372.62	6.78	-108.22
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CCOCC1	REAL300013151137	1	48	-2.0	-117.53	378.67	5.33	-112.20
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1=CC=CC=C1	REAL300013151138	1	44	-2.0	-121.62	370.93	7.54	-114.08
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151139	1	44	-2.0	-114.59	365.52	7.03	-107.56
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151140	1	43	-2.0	-113.79	378.91	5.66	-108.13
CC(C)CCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151141	1	52	-2.0	-114.61	416.81	8.30	-106.31
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151142	1	48	-2.0	-120.99	390.93	5.83	-115.16
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151143	1	41	-2.0	-113.13	341.01	2.57	-110.56
CSCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151144	1	41	-2.0	-113.98	358.20	5.88	-108.10
COC[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151145	1	41	-2.0	-116.24	346.12	3.70	-112.54
CC[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151146	1	40	-2.0	-113.25	333.91	5.48	-107.77
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151147	1	47	-2.0	-111.77	399.58	8.54	-103.23
CCC(C)CC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151148	1	49	-2.0	-115.38	391.68	7.43	-107.95
C=CCCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151149	1	47	-2.0	-113.99	390.55	7.58	-106.41
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151150	1	47	-2.0	-111.69	399.54	8.54	-103.15
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151151	1	42	-2.0	-118.92	347.42	8.84	-110.08
CC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013151152	1	47	-2.0	-123.29	379.00	8.25	-115.04
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151153	1	41	-2.0	-122.00	336.10	7.19	-114.81
CCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151154	1	43	-2.0	-113.91	356.24	6.23	-107.68
CC(C)[C@@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151155	1	43	-2.0	-114.76	346.85	5.79	-108.97
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151156	1	45	-2.0	-127.40	357.28	9.13	-118.27
CCN(C(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(C)(C)C(=O)[O-]	REAL300013151157	1	46	-2.0	-119.16	360.51	8.44	-110.72
CCCN(C(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(C)C(=O)[O-]	REAL300013151158	1	46	-2.0	-108.71	365.51	8.33	-100.38
CCC[C@@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151159	1	43	-2.0	-113.89	356.24	6.22	-107.67
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151160	1	45	-2.0	-129.29	358.80	8.54	-120.75
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1=CC=CC=C1	REAL300013151161	1	44	-2.0	-121.56	370.68	7.61	-113.95
CN(C(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(C)(C)C(=O)[O-]	REAL300013151162	1	43	-2.0	-117.89	342.02	7.58	-110.31
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151163	1	41	-2.0	-122.01	336.18	7.19	-114.82
CCC(C)CC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151166	1	49	-2.0	-115.38	391.68	7.43	-107.95
C#CCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151167	1	39	-2.0	-113.25	340.77	5.94	-107.31
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151168	1	50	-2.0	-113.54	397.98	10.41	-103.13
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151169	1	40	-2.0	-105.12	327.38	6.71	-98.41
CC(C)=CCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151170	1	47	-2.0	-115.46	387.39	7.36	-108.10
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151171	1	46	-2.0	-112.96	388.29	6.71	-106.25
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151172	1	50	-2.0	-110.11	400.13	7.91	-102.20
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151173	1	49	-2.0	-109.22	387.02	9.19	-100.03
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1=CC=CC=N1	REAL300013151174	1	43	-2.0	-124.80	367.30	5.96	-118.84
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151175	1	50	-2.0	-124.32	389.88	9.90	-114.42
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151176	1	50	-2.0	-113.51	398.55	10.54	-102.97
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151179	1	46	-2.0	-112.96	388.29	6.71	-106.25
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1=CC=CN=C1	REAL300013151180	1	43	-2.0	-118.16	365.57	5.82	-112.34
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151181	1	48	-2.0	-123.06	380.90	8.17	-114.89
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151182	0	48	-2.0	-125.19	389.28	11.42	-113.77
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)[C@H]1C(=O)[O-]	REAL300013151183	0	51	-2.0	-119.96	400.01	10.91	-109.05
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151184	1	49	-2.0	-113.61	410.20	7.50	-106.11
C=CCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151185	1	44	-2.0	-113.80	369.05	6.79	-107.01
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151186	1	43	-2.0	-115.07	379.46	5.54	-109.53
CC#CCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151187	1	42	-2.0	-115.04	362.60	6.89	-108.15
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC1=O	REAL300013151188	1	45	-2.0	-116.11	363.85	6.77	-109.34
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151189	1	44	-2.0	-121.47	352.45	7.99	-113.48
CC(C)[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151190	1	43	-2.0	-114.80	351.78	6.04	-108.76
O=C([O-])[C@@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1=CC=CC=C1	REAL300013151191	1	44	-2.0	-121.31	370.28	7.57	-113.74
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151192	1	47	-2.0	-122.15	384.70	6.82	-115.33
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151193	1	40	-2.0	-105.82	326.95	6.82	-99.00
CCC[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151194	1	43	-2.0	-113.84	356.25	6.22	-107.62
CCN(C(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(C)C(=O)[O-]	REAL300013151195	1	43	-2.0	-106.52	344.57	7.60	-98.92
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CCCC1	REAL300013151196	1	47	-2.0	-116.24	371.13	9.13	-107.11
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151197	1	46	-2.0	-115.47	364.32	6.42	-109.05
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151198	1	43	-2.0	-106.63	347.28	7.75	-98.88
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC(CO)C1	REAL300013151199	1	45	-2.0	-122.63	368.15	3.36	-119.27
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151200	1	53	-2.0	-119.96	414.48	6.69	-113.27
CC1CCC(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)(C(=O)[O-])C1	REAL300013151201	1	47	-2.0	-121.62	369.80	7.08	-114.54
CC1(C)CCCC1(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151202	1	50	-2.0	-123.80	378.62	7.71	-116.09
COCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151203	1	44	-2.0	-112.01	368.18	4.59	-107.42
CC1(C)CC(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)(C(=O)[O-])C1	REAL300013151204	1	47	-2.0	-121.87	372.31	7.76	-114.11
CC1(C(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)C(=O)[O-])CC1	REAL300013151205	1	44	-2.0	-117.73	358.35	6.82	-110.91
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151206	1	53	-2.0	-120.35	418.63	6.74	-113.61
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151207	1	42	-2.0	-128.78	346.03	3.97	-124.81
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CCOC1	REAL300013151208	1	45	-2.0	-112.64	361.91	4.47	-108.17
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151209	1	45	-2.0	-125.12	357.74	8.57	-116.55
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1=CNC2=CC=CC=C12	REAL300013151210	1	48	-2.0	-127.69	403.04	7.59	-120.10
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC(C3CCCCC3)=CS1)C2	REAL300013151211	1	43	-2.0	-120.67	349.19	6.21	-114.46
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300013151212	1	47	-2.0	-127.32	368.18	9.38	-117.94
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151213	1	50	-2.0	-116.73	408.05	8.80	-107.93
CN(C(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1(C(=O)[O-])CC1	REAL300013151214	1	41	-2.0	-117.44	342.38	7.33	-110.11
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151215	1	51	-2.0	-116.78	407.43	8.59	-108.19
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CCC1	REAL300013151216	1	44	-2.0	-116.34	354.89	6.35	-109.99
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CCCCC1	REAL300013151217	1	50	-2.0	-118.31	387.82	7.74	-110.57
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CCC1	REAL300013151218	1	44	-2.0	-116.34	354.89	6.35	-109.99
CC1CCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1C(=O)[O-]	REAL300013151219	1	44	-2.0	-124.38	358.05	7.69	-116.69
C=CCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151220	1	41	-2.0	-113.39	347.78	5.98	-107.41
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151221	1	51	-2.0	-118.96	408.12	6.66	-112.30
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151222	1	51	-2.0	-128.35	382.82	9.34	-119.01
CC1(C)CC(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)(C(=O)[O-])CCO1	REAL300013151223	1	51	-2.0	-117.87	384.81	6.39	-111.48
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC(C3CCCCC3)=CS1)C2C(=O)[O-]	REAL300013151224	1	51	-2.0	-121.69	405.47	10.83	-110.86
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151225	1	51	-2.0	-116.78	407.43	8.59	-108.19
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151226	1	47	-2.0	-113.38	399.60	8.54	-104.84
COC1CC(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)(C(=O)[O-])C1	REAL300013151227	1	45	-2.0	-120.14	369.21	5.02	-115.12
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC(F)(F)C1	REAL300013151228	1	41	-2.0	-113.87	344.30	6.09	-107.78
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)(C(=O)[O-])C1	REAL300013151229	1	45	-2.0	-116.81	367.34	4.94	-111.87
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1(C(F)(F)F)CC1	REAL300013151230	1	44	-2.0	-112.76	374.87	7.22	-105.54
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151231	1	47	-2.0	-123.62	365.83	9.22	-114.40
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151232	1	40	-2.0	-108.25	350.43	6.23	-102.02
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151233	1	48	-2.0	-114.78	388.31	5.54	-109.24
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)COC1	REAL300013151234	1	39	-2.0	-112.15	326.70	3.10	-109.05
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151235	1	44	-2.0	-114.25	385.14	7.53	-106.72
CC(C)C(C)(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151236	1	46	-2.0	-117.52	355.61	6.43	-111.09
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151237	1	42	-2.0	-126.06	342.67	8.58	-117.48
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151238	1	45	-2.0	-125.52	358.46	8.09	-117.43
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151239	1	50	-2.0	-113.51	398.55	10.54	-102.97
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151240	1	53	-2.0	-117.08	415.07	8.66	-108.42
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151241	1	50	-2.0	-116.06	416.15	9.25	-106.81
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151242	1	50	-2.0	-116.11	415.91	9.31	-106.80
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CC2CCC1C2	REAL300013151243	1	51	-2.0	-119.43	396.54	8.32	-111.11
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151244	1	53	-2.0	-117.16	415.11	8.67	-108.49
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151245	1	53	-2.0	-116.95	414.24	8.68	-108.27
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151246	1	51	-2.0	-127.13	397.54	9.50	-117.63
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151247	1	51	-2.0	-126.17	394.19	9.21	-116.96
C=CCSCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151248	1	45	-2.0	-114.79	392.72	7.27	-107.52
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)C(=O)[O-])C=C1	REAL300013151249	1	48	-2.0	-110.86	413.11	8.90	-101.96
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151250	1	46	-2.0	-107.18	361.06	8.46	-98.72
COC1(C(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)C(=O)[O-])CCC1	REAL300013151251	1	48	-2.0	-115.19	382.33	5.13	-110.06
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCC2=CC=CC=C2C1	REAL300013151252	1	51	-2.0	-124.64	402.23	9.50	-115.14
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC(C(F)F)C1	REAL300013151253	1	44	-2.0	-116.56	365.99	6.80	-109.76
O=C([O-])C1CC(NC(=O)NC2=NC(C3CCCCC3)=CS2)(C(=O)[O-])C1	REAL300013151254	0	44	-2.0	-109.64	366.63	7.74	-101.90
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)(C(=O)[O-])C1	REAL300013151254	1	43	-3.0	-193.98	363.38	6.55	-187.43
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151255	1	41	-2.0	-116.38	341.82	7.53	-108.85
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151256	1	43	-2.0	-123.99	351.19	8.30	-115.69
CC1(C)CCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1C(=O)[O-]	REAL300013151257	1	47	-2.0	-124.99	369.31	8.23	-116.76
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151258	1	51	-2.0	-129.46	391.59	10.42	-119.04
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CCC2=CC=CC=C21	REAL300013151259	1	51	-2.0	-112.91	408.67	9.81	-103.10
CC(C)CCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151260	1	49	-2.0	-114.44	395.07	7.59	-106.85
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151261	1	48	-2.0	-128.54	385.00	9.01	-119.53
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151262	1	48	-2.0	-114.78	388.31	5.54	-109.24
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300013151263	1	45	-2.0	-118.14	379.61	8.44	-109.70
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151264	1	41	-2.0	-109.72	340.66	2.11	-107.61
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151265	1	38	-2.0	-117.10	324.35	1.29	-115.81
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCCC2CC21	REAL300013151266	1	48	-2.0	-123.89	370.09	8.22	-115.67
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCC2CC21	REAL300013151267	1	45	-2.0	-122.47	357.24	7.32	-115.15
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC2(CCC2)C1	REAL300013151268	1	48	-2.0	-121.92	378.50	7.68	-114.24
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC(C3CCCCC3)=CS1)CCCCC2	REAL300013151269	1	54	-2.0	-128.70	411.84	9.96	-118.74
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CCCC1	REAL300013151270	1	47	-2.0	-117.35	370.96	6.99	-110.36
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151271	1	44	-2.0	-116.79	364.75	4.70	-112.09
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151272	1	44	-2.0	-120.15	348.89	6.59	-113.56
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151273	1	47	-2.0	-117.76	393.79	10.58	-107.18
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300013151274	1	47	-2.0	-126.64	375.59	8.31	-118.33
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151275	1	44	-2.0	-117.49	358.67	9.00	-108.49
O=C([O-])C1N(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCC1(F)F	REAL300013151276	1	41	-2.0	-118.30	347.01	7.57	-110.73
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151277	1	47	-2.0	-113.38	399.60	8.54	-104.84
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151278	1	44	-2.0	-113.39	383.18	7.42	-105.97
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151279	1	44	-2.0	-111.05	364.53	8.10	-102.95
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC2(CC(F)(F)C2)C1	REAL300013151280	1	48	-2.0	-120.20	397.69	8.12	-112.08
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151281	1	44	-2.0	-113.39	383.18	7.42	-105.97
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151282	1	48	-2.0	-125.91	374.48	8.65	-117.26
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1=CC=C(O)C=C1	REAL300013151283	1	45	-2.0	-118.57	381.70	4.76	-113.81
COCCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151284	1	47	-2.0	-114.89	389.67	5.36	-109.53
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151285	1	46	-2.0	-106.98	369.32	8.56	-98.42
CCOCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151286	1	44	-2.0	-117.21	368.32	4.72	-112.49
CC(C)(C)CC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151287	1	49	-2.0	-115.64	385.58	7.88	-107.76
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CCCCO1	REAL300013151288	1	48	-2.0	-119.53	385.49	6.02	-113.51
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC2=CC=CC=C2C1	REAL300013151289	1	48	-2.0	-124.38	390.23	8.75	-115.63
C[C@H]1OCCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)[C@@H]1C(=O)[O-]	REAL300013151290	1	45	-2.0	-122.34	358.43	6.99	-115.35
N#CCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151291	1	41	-2.0	-108.19	355.36	6.03	-102.16
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151292	1	44	-2.0	-117.35	375.45	8.72	-108.63
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013151293	1	40	-2.0	-105.25	327.89	6.81	-98.44
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300013151294	1	48	-2.0	-123.73	390.47	7.39	-116.34
O=C([O-])C1CC(NC(=O)NC2=CC=C3OC=CC3=C2)(C(=O)[O-])C1	REAL300013151505	0	35	-2.0	-126.78	308.43	6.27	-120.51
CC1=CC=C(OC2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)C(C)=C1	REAL300013151739	0	49	-2.0	-130.02	411.00	10.16	-119.86
O=C([O-])C1CC(NC(=O)NC2=CC=C(F)C(C(F)F)=C2)(C(=O)[O-])C1	REAL300013152045	0	35	-2.0	-121.19	317.66	6.83	-114.36
NS(=O)(=O)C1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300013152348	0	34	-2.0	-124.80	327.39	-0.09	-124.89
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C(=O)C1=CC=CC=C1	REAL300013152580	0	47	-2.0	-137.17	401.21	9.86	-127.31
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013152670	1	53	-2.0	-130.09	435.59	5.56	-124.53
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300013152671	1	47	-2.0	-133.28	412.85	5.11	-128.17
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013152672	1	40	-2.0	-119.53	370.94	3.13	-116.40
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300013152673	1	45	-2.0	-127.06	382.46	4.16	-122.90
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)(COC)C(=O)[O-])=N1	REAL300013152674	1	44	-2.0	-129.81	377.63	1.93	-127.88
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C(COCC)C(=O)[O-])=N1	REAL300013152675	1	47	-2.0	-120.20	399.75	3.96	-116.24
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013152676	1	46	-2.0	-130.27	391.46	5.75	-124.52
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013152677	1	41	-2.0	-123.65	360.56	4.82	-118.83
CCCNC(=O)CC1=CSC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300013152678	1	43	-2.0	-123.80	394.93	5.61	-118.19
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013152679	1	42	-2.0	-127.84	360.90	0.77	-127.07
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013152680	1	50	-2.0	-129.68	409.00	4.56	-125.12
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013152681	1	45	-2.0	-129.98	402.45	1.58	-128.40
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])=N1	REAL300013152682	1	51	-2.0	-121.77	426.91	5.36	-116.41
C=CCOCC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152683	1	45	-2.0	-128.71	401.87	2.16	-126.55
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013152684	1	45	-2.0	-143.63	375.60	3.16	-140.47
C=CC(C)C(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152685	1	44	-2.0	-124.19	385.26	3.52	-120.67
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013152686	1	48	-2.0	-128.74	399.75	2.16	-126.58
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(OC)CC2C(=O)[O-])=N1	REAL300013152687	1	48	-2.0	-138.06	400.33	4.71	-133.35
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300013152688	1	48	-2.0	-125.57	399.73	2.18	-123.39
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C)CC2C(=O)[O-])=N1	REAL300013152689	1	47	-2.0	-138.70	382.03	6.08	-132.62
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013152690	1	43	-2.0	-125.93	367.36	2.69	-123.24
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013152691	1	44	-2.0	-138.12	367.68	5.76	-132.36
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013152692	1	42	-2.0	-130.35	367.93	5.74	-124.61
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013152693	1	47	-2.0	-133.67	384.77	4.48	-129.19
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013152694	1	41	-2.0	-134.45	355.85	4.34	-130.11
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013152695	1	44	-2.0	-133.95	369.73	3.34	-130.61
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300013152696	1	50	-2.0	-132.24	390.43	5.14	-127.10
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013152697	1	47	-2.0	-128.81	412.80	5.40	-123.41
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013152698	1	47	-2.0	-132.14	414.29	7.48	-124.66
CCCNC(=O)CC1=CSC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013152699	1	34	-2.0	-110.83	312.64	0.53	-110.30
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013152700	1	44	-2.0	-132.93	391.19	4.52	-128.41
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013152701	1	44	-2.0	-134.45	390.79	4.47	-129.98
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC)C(=O)[O-])=N1	REAL300013152702	1	40	-2.0	-124.53	355.25	2.37	-122.16
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013152703	1	43	-2.0	-125.93	367.36	2.69	-123.24
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013152704	1	37	-2.0	-121.40	333.49	3.49	-117.91
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013152705	1	38	-2.0	-128.29	344.72	-1.76	-130.05
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013152706	1	38	-2.0	-128.29	344.72	-1.76	-130.05
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013152707	1	47	-2.0	-128.81	412.80	5.40	-123.41
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013152708	1	37	-2.0	-111.81	333.42	1.35	-110.46
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)CC)=N1	REAL300013152709	1	46	-2.0	-126.89	385.20	3.39	-123.50
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013152710	1	37	-2.0	-121.40	333.49	3.49	-117.91
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013152711	1	44	-2.0	-138.12	367.68	5.76	-132.36
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)(CCC)C(=O)[O-])=N1	REAL300013152712	1	46	-2.0	-129.75	380.89	3.40	-126.35
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013152713	1	43	-2.0	-123.17	365.54	4.81	-118.36
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013152714	1	41	-2.0	-123.65	360.56	4.82	-118.83
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(=O)NCCC)=CS1	REAL300013152715	1	41	-2.0	-129.24	368.11	5.03	-124.21
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013152716	1	46	-2.0	-130.27	391.46	5.75	-124.52
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013152717	1	40	-2.0	-109.79	346.00	1.74	-108.05
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013152718	1	44	-2.0	-129.71	372.09	3.47	-126.24
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300013152719	1	41	-2.0	-130.00	382.81	3.59	-126.41
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013152720	1	47	-2.0	-133.67	384.77	4.48	-129.19
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013152721	1	43	-2.0	-123.17	365.54	4.81	-118.36
CCCNC(=O)CC1=CSC([N-]C(=O)N(CCC)CC(=O)[O-])=N1	REAL300013152722	1	43	-2.0	-129.09	376.80	5.23	-123.86
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC)CC(=O)[O-])=N1	REAL300013152723	1	40	-2.0	-122.47	355.30	4.47	-118.00
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013152724	1	38	-2.0	-130.31	344.38	-1.81	-132.12
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=N1	REAL300013152725	1	46	-2.0	-128.83	385.76	3.37	-125.46
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013152726	1	37	-2.0	-111.81	333.42	1.35	-110.46
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013152727	1	44	-2.0	-133.95	369.73	3.34	-130.61
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)(CC)C(=O)[O-])=N1	REAL300013152728	1	43	-2.0	-126.95	359.39	2.65	-124.30
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013152729	1	47	-2.0	-136.09	399.52	5.15	-130.94
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013152730	1	37	-2.0	-112.42	333.26	1.37	-111.05
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC)CC(=O)[O-])=N1	REAL300013152731	1	40	-2.0	-122.47	355.30	4.47	-118.00
CCCCCCC(C)(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152732	1	55	-2.0	-128.59	445.39	5.74	-122.85
CCCNC(=O)CC1=CSC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013152733	1	42	-2.0	-135.50	367.09	0.94	-134.56
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013152734	1	37	-2.0	-111.84	333.41	1.35	-110.49
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013152735	1	38	-2.0	-131.88	339.58	2.44	-129.44
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013152736	1	42	-2.0	-131.72	359.02	3.32	-128.40
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013152737	1	50	-2.0	-133.31	396.18	6.22	-127.09
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013152738	1	41	-2.0	-127.24	361.65	2.86	-124.38
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013152739	1	47	-2.0	-126.69	400.97	6.42	-120.27
CCCNC(=O)CC1=CSC([N-]C(=O)N(CCOC)CC(=O)[O-])=N1	REAL300013152740	1	44	-2.0	-130.34	386.68	3.65	-126.69
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013152741	1	41	-2.0	-133.53	357.92	4.01	-129.52
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013152742	1	44	-2.0	-138.15	367.78	5.78	-132.37
CCCNC(=O)CC1=CSC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013152743	1	42	-2.0	-133.81	367.84	0.69	-133.12
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013152744	1	40	-2.0	-116.28	347.89	3.61	-112.67
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013152745	1	41	-2.0	-134.40	355.83	4.34	-130.06
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013152746	1	41	-2.0	-131.04	356.39	2.97	-128.07
C=CCC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152747	1	41	-2.0	-124.51	368.29	2.88	-121.63
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013152748	1	44	-2.0	-134.41	372.93	4.89	-129.52
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013152749	1	47	-2.0	-136.91	382.85	6.37	-130.54
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013152750	1	41	-2.0	-127.24	361.65	2.86	-124.38
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013152751	1	40	-2.0	-116.28	347.89	3.61	-112.67
CCCCC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152752	1	46	-2.0	-125.22	398.25	3.91	-121.31
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300013152753	1	45	-2.0	-131.98	402.22	1.65	-130.33
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013152754	1	44	-2.0	-134.38	372.92	4.89	-129.49
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013152755	1	50	-2.0	-133.31	396.18	6.22	-127.09
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013152756	1	47	-2.0	-127.14	392.62	6.11	-121.03
CCCNC(=O)CC1=CSC([N-]C(=O)NC(COC)C(=O)[O-])=N1	REAL300013152757	1	41	-2.0	-127.23	367.11	0.60	-126.63
CCCCCC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152758	1	49	-2.0	-125.30	419.75	4.70	-120.60
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013152759	1	46	-2.0	-129.40	386.03	3.47	-125.93
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(CC)CC2)=N1	REAL300013152760	1	53	-2.0	-132.21	423.84	5.74	-126.47
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013152761	1	48	-2.0	-130.22	400.08	4.37	-125.85
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)=N1	REAL300013152762	1	47	-2.0	-135.31	384.17	5.56	-129.75
CCCNC(=O)CC1=CSC([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)=N1	REAL300013152763	1	44	-2.0	-115.28	373.02	6.17	-109.11
CCCNC(=O)CC1=CSC([N-]C(=O)N(C(CC)C(=O)[O-])C2CC2)=N1	REAL300013152764	1	47	-2.0	-122.58	390.08	6.39	-116.19
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300013152765	1	44	-2.0	-138.40	395.59	4.60	-133.80
CCCNC(=O)CC1=CSC([N-]C(=O)N(CCC)CC(=O)[O-])=N1	REAL300013152766	1	43	-2.0	-129.09	376.80	5.23	-123.86
CCCNC(=O)CC1=CSC([N-]C(=O)N(C(COC)C(=O)[O-])C2CC2)=N1	REAL300013152767	1	48	-2.0	-119.42	402.66	5.59	-113.83
CCCNC(=O)CC1=CSC([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)=N1	REAL300013152768	1	47	-2.0	-121.30	389.31	5.60	-115.70
CCCNC(=O)CC1=CSC([N-]C(=O)N(CCC)C(COC)C(=O)[O-])=N1	REAL300013152769	1	50	-2.0	-122.74	414.84	4.77	-117.97
CCCNC(=O)CC1=CSC([N-]C(=O)N(CCC)C(CC)C(=O)[O-])=N1	REAL300013152770	1	49	-2.0	-122.99	403.53	6.28	-116.71
CCCNC(=O)CC1=CSC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013152771	1	34	-2.0	-110.83	312.64	0.53	-110.30
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013152772	1	46	-2.0	-128.10	393.92	3.71	-124.39
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013152773	1	45	-2.0	-127.29	376.21	1.99	-125.30
C=CCCC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152774	1	44	-2.0	-124.82	389.32	3.75	-121.07
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013152775	1	37	-2.0	-111.22	337.05	1.36	-109.86
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC)(CC)C(=O)[O-])=N1	REAL300013152776	1	46	-2.0	-130.76	376.07	3.54	-127.22
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC)(COC)C(=O)[O-])=N1	REAL300013152777	1	47	-2.0	-133.54	394.32	2.84	-130.70
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013152778	1	44	-2.0	-125.65	387.14	3.86	-121.79
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CCOC)C(=O)[O-])=N1	REAL300013152779	1	44	-2.0	-122.98	388.93	1.43	-121.55
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013152780	1	40	-2.0	-120.61	365.87	2.89	-117.72
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013152781	1	40	-2.0	-119.79	361.84	2.51	-117.28
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2(OC)CCC2)C(=O)[O-])=N1	REAL300013152782	1	51	-2.0	-131.23	425.35	3.77	-127.46
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013152783	1	48	-2.0	-130.22	400.08	4.37	-125.85
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300013152784	1	50	-2.0	-128.53	409.04	6.74	-121.79
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)=N1	REAL300013152785	1	50	-2.0	-134.44	398.59	4.86	-129.58
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013152786	1	43	-2.0	-121.94	365.98	2.79	-119.15
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300013152787	1	45	-2.0	-129.85	390.98	5.37	-124.48
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013152788	1	40	-2.0	-117.72	347.87	3.61	-114.11
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300013152789	1	53	-2.0	-135.53	412.67	5.36	-130.17
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013152790	1	42	-2.0	-136.91	362.19	4.90	-132.01
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC(OC)CC2(C)C(=O)[O-])=N1	REAL300013152791	1	48	-2.0	-134.01	406.17	3.85	-130.16
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300013152792	1	51	-2.0	-129.35	422.18	3.94	-125.41
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013152793	1	46	-2.0	-129.40	386.03	3.47	-125.93
C=C(Cl)CC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152794	1	41	-2.0	-122.92	383.48	3.55	-119.37
C=C(C)CC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152795	1	44	-2.0	-124.42	385.77	3.90	-120.52
CCCNC(=O)CC1=CSC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013152796	1	45	-2.0	-136.51	375.75	5.63	-130.88
CCCNC(=O)CC1=CSC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013152797	1	42	-2.0	-131.21	367.89	0.69	-130.52
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013152798	1	41	-2.0	-123.95	368.82	4.49	-119.46
CCCNC(=O)CC1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013152799	1	41	-2.0	-129.27	362.32	4.43	-124.84
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC(=O)NCCC)=CS2)C1	REAL300013152800	1	42	-2.0	-135.51	369.08	4.79	-130.72
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300013152801	1	51	-2.0	-127.71	426.71	3.17	-124.54
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013152802	1	46	-2.0	-128.10	393.92	3.71	-124.39
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013152803	1	48	-2.0	-128.74	399.75	2.16	-126.58
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013152804	1	44	-2.0	-134.45	390.79	4.47	-129.98
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013152805	1	44	-2.0	-125.65	387.14	3.86	-121.79
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])=N1	REAL300013152806	1	43	-2.0	-126.63	399.41	2.55	-124.08
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])=N1	REAL300013152807	1	52	-2.0	-125.75	437.08	5.27	-120.48
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300013152808	1	48	-2.0	-132.33	411.45	2.75	-129.58
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300013152809	1	41	-2.0	-125.71	361.99	-0.53	-126.24
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CSC)C(=O)[O-])=N1	REAL300013152810	1	41	-2.0	-125.31	378.71	2.78	-122.53
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](COC)C(=O)[O-])=N1	REAL300013152811	1	41	-2.0	-129.22	367.11	0.59	-128.63
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](CC)C(=O)[O-])=N1	REAL300013152812	1	40	-2.0	-126.28	355.26	2.36	-123.92
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC(C)CC)C(=O)[O-])=N1	REAL300013152813	1	49	-2.0	-126.42	411.95	4.38	-122.04
C=CCCCC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152814	1	47	-2.0	-125.16	411.06	4.48	-120.68
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013152815	1	42	-2.0	-130.35	367.93	5.74	-124.61
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013152816	1	47	-2.0	-136.09	399.52	5.15	-130.94
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013152817	1	41	-2.0	-133.53	357.92	4.01	-129.52
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CCC)C(=O)[O-])=N1	REAL300013152818	1	43	-2.0	-124.97	376.51	3.19	-121.78
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300013152819	1	43	-2.0	-125.39	370.36	2.97	-122.42
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013152820	1	45	-2.0	-139.84	378.56	5.97	-133.87
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC)C(C)(C)C(=O)[O-])=N1	REAL300013152821	1	46	-2.0	-129.71	381.04	5.33	-124.38
CCCNC(=O)CC1=CSC([N-]C(=O)N(CCC)C(C)C(=O)[O-])=N1	REAL300013152822	1	46	-2.0	-122.27	386.02	5.23	-117.04
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H](CCC)C(=O)[O-])=N1	REAL300013152823	1	43	-2.0	-124.92	376.49	3.19	-121.73
CCCNC(=O)CC1=CSC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013152824	1	45	-2.0	-140.52	379.94	5.39	-135.13
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013152825	1	44	-2.0	-132.93	391.19	4.52	-128.41
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300013152826	1	43	-2.0	-128.48	362.53	4.48	-124.00
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013152827	1	41	-2.0	-134.40	355.83	4.34	-130.06
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC(C)CC)C(=O)[O-])=N1	REAL300013152830	1	49	-2.0	-126.42	411.95	4.38	-122.04
C#CCC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152831	1	39	-2.0	-124.20	361.28	2.84	-121.36
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013152832	1	40	-2.0	-116.28	347.89	3.61	-112.67
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])=N1	REAL300013152833	1	47	-2.0	-126.71	407.66	4.33	-122.38
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013152834	1	46	-2.0	-123.92	408.57	3.67	-120.25
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])=N1	REAL300013152835	1	50	-2.0	-121.35	420.64	4.81	-116.54
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N1	REAL300013152836	1	49	-2.0	-120.17	408.10	6.21	-113.96
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1	REAL300013152837	1	43	-2.0	-137.85	387.56	2.93	-134.92
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC2(CCC)C(=O)[O-])=N1	REAL300013152838	1	50	-2.0	-137.24	410.40	6.80	-130.44
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013152841	1	46	-2.0	-123.92	408.57	3.67	-120.25
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300013152842	1	43	-2.0	-129.68	386.32	2.65	-127.03
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC2(COC)C(=O)[O-])=N1	REAL300013152843	1	48	-2.0	-135.85	401.42	5.07	-130.78
C=CCCC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152844	1	44	-2.0	-124.82	389.32	3.75	-121.07
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300013152845	1	43	-2.0	-125.78	400.22	2.36	-123.42
CC#CCC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152846	1	42	-2.0	-126.15	383.35	3.74	-122.41
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=N1	REAL300013152847	1	45	-2.0	-127.67	384.34	3.67	-124.00
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013152848	1	44	-2.0	-132.23	372.94	4.89	-127.34
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013152849	1	43	-2.0	-127.72	367.95	2.69	-125.03
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013152850	1	44	-2.0	-134.53	390.75	4.47	-130.06
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300013152851	1	47	-2.0	-135.12	405.21	3.71	-131.41
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013152852	1	40	-2.0	-117.72	347.87	3.61	-114.11
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](CCC)C(=O)[O-])=N1	REAL300013152853	1	43	-2.0	-126.65	375.92	3.15	-123.50
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC)C(C)C(=O)[O-])=N1	REAL300013152854	1	43	-2.0	-117.46	365.07	4.51	-112.95
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013152855	1	47	-2.0	-127.14	392.62	6.11	-121.03
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=N1	REAL300013152856	1	46	-2.0	-128.83	385.76	3.37	-125.46
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)[C@@H](CC)C(=O)[O-])=N1	REAL300013152857	1	43	-2.0	-119.26	367.79	4.65	-114.61
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013152858	1	45	-2.0	-137.61	386.92	0.14	-137.47
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)=N1	REAL300013152859	1	47	-2.0	-132.45	390.28	3.98	-128.47
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300013152860	1	50	-2.0	-136.67	399.13	4.61	-132.06
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CCOC)C(=O)[O-])=N1	REAL300013152861	1	44	-2.0	-122.98	388.93	1.43	-121.55
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013152862	1	47	-2.0	-132.81	392.80	4.66	-128.15
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013152863	1	44	-2.0	-128.46	376.71	3.70	-124.76
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013152864	1	42	-2.0	-139.82	367.90	0.87	-138.95
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013152865	1	45	-2.0	-123.63	382.49	1.30	-122.33
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013152866	1	45	-2.0	-137.93	378.00	5.44	-132.49
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013152867	1	43	-2.0	-132.61	369.69	3.11	-129.50
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC(C)CCC2C(=O)[O-])=N1	REAL300013152868	1	47	-2.0	-138.47	388.75	6.30	-132.17
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300013152869	1	41	-2.0	-130.11	362.89	4.22	-125.89
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013152870	1	51	-2.0	-129.72	427.85	5.57	-124.15
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013152871	1	44	-2.0	-127.51	382.03	3.41	-124.10
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013152872	1	50	-2.0	-129.68	409.00	4.56	-125.12
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013152873	1	44	-2.0	-127.51	382.03	3.41	-124.10
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300013152874	1	44	-2.0	-135.36	378.56	4.59	-130.77
C=CCC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152875	1	41	-2.0	-124.51	368.29	2.88	-121.63
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300013152876	1	51	-2.0	-129.79	427.49	4.10	-125.69
CCCNC(=O)CC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300013152877	1	51	-2.0	-139.18	403.32	6.24	-132.94
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=N1	REAL300013152878	1	51	-2.0	-128.32	405.27	3.28	-125.04
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013152879	1	51	-2.0	-129.72	427.85	5.57	-124.15
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(OC)C2)=N1	REAL300013152880	1	45	-2.0	-129.53	387.95	1.84	-127.69
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013152881	1	41	-2.0	-126.38	364.95	2.99	-123.39
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)=N1	REAL300013152882	1	45	-2.0	-133.96	388.46	2.23	-131.73
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC2(CC)C(=O)[O-])=N1	REAL300013152883	1	47	-2.0	-134.23	386.34	6.12	-128.11
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013152884	1	40	-2.0	-119.53	370.94	3.13	-116.40
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013152885	1	48	-2.0	-125.73	408.82	2.44	-123.29
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013152886	1	39	-2.0	-123.17	347.21	0.00	-123.17
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300013152887	1	44	-2.0	-125.20	405.64	4.42	-120.78
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300013152888	1	46	-2.0	-128.38	376.13	3.34	-125.04
CCCNC(=O)CC1=CSC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013152889	1	42	-2.0	-137.30	363.26	5.45	-131.85
CCCNC(=O)CC1=CSC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013152890	1	45	-2.0	-136.49	378.95	4.99	-131.50
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013152891	1	53	-2.0	-130.09	435.59	5.56	-124.53
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300013152892	1	51	-2.0	-131.66	417.52	5.00	-126.66
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013152893	1	53	-2.0	-128.42	435.59	5.57	-122.85
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013152894	1	53	-2.0	-130.04	435.57	5.57	-124.47
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300013152895	1	51	-2.0	-138.73	418.14	6.39	-132.34
CCCNC(=O)CC1=CSC([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300013152896	1	51	-2.0	-137.26	414.69	6.11	-131.15
C=CCSCC(NC(=O)[N-]C1=NC(CC(=O)NCCC)=CS1)C(=O)[O-]	REAL300013152897	1	45	-2.0	-126.20	413.23	4.17	-122.03
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC)C(CC)C(=O)[O-])=N1	REAL300013152898	1	46	-2.0	-118.09	381.56	5.36	-112.73
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2(OC)CCC2)=N1	REAL300013152899	1	48	-2.0	-132.17	403.48	2.15	-130.02
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300013152900	1	44	-2.0	-132.56	388.19	3.79	-128.77
CCCNC(=O)CC1=CSC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013152901	0	44	-2.0	-125.93	388.51	4.76	-121.17
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013152901	1	43	-3.0	-209.54	385.59	3.53	-206.01
CCCNC(=O)CC1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013152902	1	41	-2.0	-129.27	362.32	4.43	-124.84
CCCNC(=O)CC1=CSC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013152903	1	43	-2.0	-138.99	371.69	5.20	-133.79
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013152904	1	47	-2.0	-135.96	389.81	5.13	-130.83
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300013152905	1	51	-2.0	-140.51	412.07	7.32	-133.19
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N1	REAL300013152906	1	49	-2.0	-125.78	415.82	4.43	-121.35
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300013152907	1	48	-2.0	-143.95	405.48	5.91	-138.04
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013152908	1	48	-2.0	-125.73	408.82	2.44	-123.29
CCCNC(=O)CC1=CSC([N-]C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])=N1	REAL300013152909	1	45	-2.0	-130.85	400.11	5.34	-125.51
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300013152910	1	41	-2.0	-122.77	361.15	-1.00	-123.77
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013152911	1	38	-2.0	-130.31	344.38	-1.81	-132.12
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300013152912	1	48	-2.0	-136.65	390.60	5.12	-131.53
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013152913	1	45	-2.0	-132.48	378.89	3.98	-128.50
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300013152914	1	48	-2.0	-132.95	399.01	4.58	-128.37
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013152915	1	47	-2.0	-128.56	391.42	3.94	-124.62
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N1	REAL300013152916	1	44	-2.0	-130.05	384.75	1.61	-128.44
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300013152917	1	44	-2.0	-131.41	369.41	3.48	-127.93
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013152918	1	47	-2.0	-132.14	414.29	7.48	-124.66
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013152919	1	47	-2.0	-138.53	396.92	5.18	-133.35
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300013152920	1	44	-2.0	-128.74	379.18	5.90	-122.84
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013152921	1	41	-2.0	-131.00	367.51	4.47	-126.53
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013152922	1	44	-2.0	-126.47	404.51	4.28	-122.19
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300013152923	1	44	-2.0	-123.71	385.04	5.00	-118.71
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013152924	1	44	-2.0	-126.47	404.51	4.28	-122.19
CCCNC(=O)CC1=CSC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013152925	1	48	-2.0	-137.53	394.15	5.74	-131.79
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013152926	1	45	-2.0	-130.05	402.41	1.59	-128.46
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CCCOC)C(=O)[O-])=N1	REAL300013152927	1	47	-2.0	-126.19	410.18	2.26	-123.93
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)C(CCC)C(=O)[O-])=N1	REAL300013152928	1	46	-2.0	-118.18	390.34	5.57	-112.61
CCCNC(=O)CC1=CSC([N-]C(=O)NC(COCC)C(=O)[O-])=N1	REAL300013152929	1	44	-2.0	-128.11	388.97	1.57	-126.54
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300013152930	1	49	-2.0	-126.54	405.84	4.83	-121.71
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300013152931	1	48	-2.0	-132.76	405.99	2.92	-129.84
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=N1	REAL300013152932	1	45	-2.0	-134.13	378.95	3.89	-130.24
CCCNC(=O)CC1=CSC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013152933	1	41	-2.0	-118.84	375.85	2.93	-115.91
CCCNC(=O)CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1	REAL300013152934	1	44	-2.0	-126.83	395.96	5.62	-121.21
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013152935	1	40	-2.0	-116.28	347.89	3.61	-112.67
CCCNC(=O)CC1=CSC([N-]C(=O)N2C[C@H](OCC)C[C@H]2C(=O)[O-])=N1	REAL300013152936	1	48	-2.0	-136.49	410.98	4.29	-132.20
O=C([O-])C1CC(NC(=O)NC2=CC(F)=CC(OC(F)F)=C2)(C(=O)[O-])C1	REAL300013153213	0	36	-2.0	-114.80	324.97	5.49	-109.31
CN(C)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013153508	0	40	-2.0	-125.66	341.93	5.47	-120.19
CC1=CC=CC(OC2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)=C1	REAL300013153789	0	46	-2.0	-129.79	391.55	9.47	-120.32
COCC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC	REAL300013154103	0	43	-2.0	-122.68	362.72	5.17	-117.51
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(S(C)(=O)=O)=C1	REAL300013154416	0	41	-2.0	-125.10	361.42	4.02	-121.08
COC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013154801	0	36	-2.0	-124.09	314.04	2.53	-121.56
CS(C)(=O)=NC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013155102	0	42	-2.0	-142.46	361.53	4.25	-138.21
O=C([O-])C1CC(NC(=O)NC2=CC=C(N3CCCCC3)C(F)=C2)(C(=O)[O-])C1	REAL300013155390	0	47	-2.0	-118.51	384.46	7.52	-110.99
CCCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C(C)C	REAL300013155677	0	51	-2.0	-122.15	412.44	8.96	-113.19
CN1C(=O)COC2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C21	REAL300013155990	0	41	-2.0	-122.91	343.67	5.71	-117.20
N#CCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013156331	0	35	-2.0	-136.04	317.49	6.67	-129.37
CC1=CC=C(C)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013156548	0	38	-2.0	-124.08	319.90	7.44	-116.64
O=C([O-])C1CC(NC(=O)NC2=CC=C(C(F)C(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300013156837	0	38	-2.0	-114.06	343.80	7.59	-106.47
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300013157045	0	38	-2.0	-118.80	319.57	7.41	-111.39
CC(C)(C)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013157362	0	44	-2.0	-118.68	359.16	8.20	-110.48
O=C([O-])C1CC(NC(=O)NC2=CC=C3NC(=O)CS(=O)(=O)C3=C2)(C(=O)[O-])C1	REAL300013157601	0	40	-2.0	-139.04	358.95	1.33	-137.71
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C1=CSC=C1	REAL300013157889	0	42	-2.0	-122.48	367.85	9.04	-113.44
O=C([O-])C1CC(NC(=O)NC2=CC=C3CCCCC3=N2)(C(=O)[O-])C1	REAL300013158181	0	41	-2.0	-127.63	338.59	8.00	-119.63
O=C([O-])C1CC(NC(=O)NC2=CC=C3OC4(C=CC3=C2)CCC4)(C(=O)[O-])C1	REAL300013158493	0	45	-2.0	-126.65	374.64	8.37	-118.28
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC3=CC=CC=C3F)C=C2)(C(=O)[O-])C1	REAL300013158745	0	43	-2.0	-121.84	375.57	8.78	-113.06
O=C([O-])C1CC(NC(=O)NC2=CC=CC(OC3=CC=CC=C3F)=C2)(C(=O)[O-])C1	REAL300013158992	0	43	-2.0	-131.46	375.75	8.85	-122.61
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC3=CC=C(F)C=C3)C=C2)(C(=O)[O-])C1	REAL300013159239	0	43	-2.0	-115.50	374.40	8.72	-106.78
COC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013159455	0	36	-2.0	-124.09	314.04	2.53	-121.56
CN(C)C1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Cl	REAL300013159771	0	40	-2.0	-118.68	351.61	6.17	-112.51
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300013160027	0	35	-2.0	-124.26	316.45	7.03	-117.23
O=C([O-])C1CC(NC(=O)NC2=CC=C(N3N=NC4=CC=CC=C43)C=C2)(C(=O)[O-])C1	REAL300013160270	0	44	-2.0	-117.19	378.61	7.59	-109.60
CN(C)C1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300013160512	0	43	-2.0	-119.16	369.84	7.21	-111.95
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3=NOC=C3)C=C2)(C(=O)[O-])C1	REAL300013160825	0	38	-2.0	-122.94	335.83	6.87	-116.07
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300013161278	0	42	-2.0	-120.17	354.12	7.44	-112.73
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3=NOC=C3)=C2)(C(=O)[O-])C1	REAL300013161604	0	38	-2.0	-126.48	335.16	6.92	-119.56
O=C([O-])C1CC(NC(=O)NC2=CC=NN2C2CCOC2)(C(=O)[O-])C1	REAL300013161906	0	40	-2.0	-119.04	336.83	4.96	-114.08
O=C([O-])C1CC(NC(=O)NC2=CN(C3CCC3)N=C2)(C(=O)[O-])C1	REAL300013162167	0	39	-2.0	-121.03	326.94	5.56	-115.47
CC(C)(C)OC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013162491	0	45	-2.0	-130.20	361.55	7.08	-123.12
CC(=O)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013162751	0	37	-2.0	-122.35	320.11	6.21	-116.14
CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300013162969	0	38	-2.0	-124.64	316.51	7.39	-117.25
O=C([O-])C1CC(NC(=O)NC2=CC=CC=C2Cl)(C(=O)[O-])C1	REAL300013163190	0	32	-2.0	-114.07	293.40	6.43	-107.64
CC1=CC(Cl)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013163440	0	35	-2.0	-114.48	314.90	7.25	-107.23
CC1=C(Cl)C=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013163698	0	35	-2.0	-118.62	312.59	7.20	-111.42
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(Cl)=C1	REAL300013164193	0	35	-2.0	-114.40	315.76	7.13	-107.27
CC1=CC=C(F)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013164420	0	35	-2.0	-125.73	304.90	6.85	-118.88
CC1=CC=C(Cl)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013164669	0	35	-2.0	-124.04	315.22	7.29	-116.75
CCC1=CC=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013164889	0	38	-2.0	-118.06	318.09	7.49	-110.57
CC1=CC(F)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013165106	0	35	-2.0	-114.43	304.58	6.81	-107.62
CC1=CC(Br)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013165412	0	35	-2.0	-114.38	319.45	7.36	-107.02
CC(C)N1N=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013165629	0	38	-2.0	-114.49	321.56	6.10	-108.39
CC1=CC(N2CCCC2)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013165947	0	47	-2.0	-118.92	370.96	7.06	-111.86
O=C([O-])C1CC(NC(=O)NC2=CC=NN2CC2=CC=CC=N2)(C(=O)[O-])C1	REAL300013166446	0	41	-2.0	-123.96	357.43	6.69	-117.27
CC(C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013167708	0	44	-2.0	-119.63	363.39	7.52	-112.11
CC1=NN(CC2=CC=CC=C2)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013168020	0	45	-2.0	-121.28	383.14	9.10	-112.18
CC1=CC=C(Cl)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013168268	0	35	-2.0	-120.59	316.21	7.21	-113.38
CC1=CC=C(Br)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013168583	0	35	-2.0	-123.82	319.79	7.40	-116.42
CC1=C(Br)C=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013168888	0	35	-2.0	-118.71	316.62	7.29	-111.42
CC1=CC=C(C(F)(F)F)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013169205	0	38	-2.0	-125.62	337.55	7.79	-117.83
O=C([O-])C1CC(NC(=O)NC2=CC=NN2CC2=CC=C(F)C=C2)(C(=O)[O-])C1	REAL300013169503	0	42	-2.0	-114.77	366.16	8.47	-106.30
COC1=CC=C(Cl)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013169808	0	36	-2.0	-124.50	324.28	5.83	-118.67
COC1=NC=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013170167	0	35	-2.0	-120.63	307.15	2.79	-117.84
CC1=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=CC=C1C(F)(F)F	REAL300013170485	0	38	-2.0	-117.82	332.50	7.68	-110.14
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300013170741	0	39	-2.0	-117.29	327.63	6.01	-111.28
CC1=C(F)C=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013170966	0	35	-2.0	-118.09	303.85	6.82	-111.27
CC(C)CC(C)N1N=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013171588	0	47	-2.0	-114.17	378.74	8.01	-106.16
COC1=CC=C(Cl)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013172013	0	36	-2.0	-124.50	324.28	5.83	-118.67
O=C([O-])C1CC(NC(=O)NC2=CC3=C(C=C2Cl)OCCCO3)(C(=O)[O-])C1	REAL300013172295	0	41	-2.0	-123.54	357.64	6.48	-117.06
COC1=C(C)C=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300013172583	0	42	-2.0	-121.68	349.37	6.97	-114.71
COC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300013172844	0	39	-2.0	-122.19	326.65	6.16	-116.03
O=C([O-])C1CC(NC(=O)NC2=CC3=C(C=C2Cl)OCCO3)(C(=O)[O-])C1	REAL300013173218	0	38	-2.0	-124.19	340.24	5.74	-118.45
CC1=CC(N(C)C)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013173534	0	43	-2.0	-120.61	349.69	7.13	-113.48
COCCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300013173875	0	46	-2.0	-118.66	383.14	6.22	-112.44
CC1=CC(OC(C)C)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013174193	0	45	-2.0	-117.62	368.51	7.59	-110.03
CCCCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300013174514	0	48	-2.0	-117.00	392.51	8.53	-108.47
CCCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300013174833	0	45	-2.0	-117.09	371.01	7.75	-109.34
CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300013175134	0	42	-2.0	-117.28	349.48	6.94	-110.34
CCCC(=O)NC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300013175601	0	48	-2.0	-129.74	394.77	7.53	-122.21
CCC(C)SC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300013175874	0	48	-2.0	-116.52	401.07	10.01	-106.51
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013176415	0	48	-2.0	-116.87	394.54	7.91	-108.96
CC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013176707	0	44	-2.0	-130.67	368.88	8.49	-122.18
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013176982	0	48	-2.0	-116.72	387.05	9.38	-107.34
CC1=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=CC=C1OCC(F)(F)F	REAL300013177224	0	42	-2.0	-121.93	368.09	7.54	-114.39
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013177739	0	46	-2.0	-117.18	386.04	9.53	-107.65
CC1=CC2=C(C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)OCO2	REAL300013178027	0	38	-2.0	-121.22	324.20	5.39	-115.83
CC1=CC(C)=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Br	REAL300013178308	0	38	-2.0	-125.52	338.97	8.01	-117.51
CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1Cl	REAL300013178553	0	35	-2.0	-120.16	313.53	7.12	-113.04
CCC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013178780	0	38	-2.0	-121.41	324.42	5.96	-115.45
CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013179008	0	49	-2.0	-118.64	409.40	10.00	-108.64
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013179267	0	44	-2.0	-138.88	377.24	5.02	-133.86
CC1=C(CSC(C)C)C=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013179938	0	48	-2.0	-125.29	401.03	10.12	-115.17
CCOC1=CC=C(Cl)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013180258	0	39	-2.0	-124.83	346.13	6.76	-118.07
CC1=CC(Cl)=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300013180558	0	38	-2.0	-120.78	333.89	7.76	-113.02
COC1=CC(C)=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300013180861	0	42	-2.0	-125.39	349.05	6.86	-118.53
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C(Cl)C(OC)=C1	REAL300013181173	0	40	-2.0	-119.78	352.56	5.12	-114.66
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(Cl)=C1C	REAL300013181464	0	38	-2.0	-120.81	330.51	7.67	-113.14
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)C=C1C	REAL300013181767	0	42	-2.0	-124.45	349.04	6.89	-117.56
COC1=CC(Cl)=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300013182100	0	39	-2.0	-119.75	344.35	6.57	-113.18
CC1=CC=C(N2CCOCC2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013182401	0	48	-2.0	-126.34	382.46	5.61	-120.73
COC1=CC(C)=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300013182690	0	42	-2.0	-118.01	347.72	6.77	-111.24
CN1N=C(C2CCC2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013182992	0	42	-2.0	-122.67	348.27	7.16	-115.51
CC1=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=CC=C1N(C)C	REAL300013183294	0	43	-2.0	-121.48	351.70	6.76	-114.72
CC1=NN(CC2=CC=CC=N2)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013183606	0	44	-2.0	-127.10	379.38	7.28	-119.82
CC(C)OC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(Cl)=C1	REAL300013183911	0	42	-2.0	-113.74	365.47	7.38	-106.36
O=C([O-])C1CC(NC(=O)NC2=CC3=C(C=C2Cl)CCC3)(C(=O)[O-])C1	REAL300013184228	0	39	-2.0	-121.93	341.20	8.49	-113.44
CSC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300013184526	0	39	-2.0	-121.91	335.79	7.70	-114.21
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013185044	0	53	-2.0	-117.97	414.17	8.66	-109.31
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013185328	0	51	-2.0	-124.48	405.48	8.77	-115.71
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013185596	0	43	-2.0	-126.21	368.40	2.50	-123.71
CN1N=C(C2=CC=C(Cl)S2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013185820	0	39	-2.0	-123.15	369.98	7.89	-115.26
CSC1=CC=C(C)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013186400	0	39	-2.0	-128.95	338.68	7.78	-121.17
CN1N=C(C2CCCOC2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013186716	0	46	-2.0	-122.31	375.54	6.00	-116.31
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013187019	0	45	-2.0	-131.36	373.23	7.74	-123.62
CN1N=C(C2=CC(F)=CC(F)=C2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013187275	0	42	-2.0	-121.20	373.38	8.32	-112.88
CN1N=C(C2=CC=C(F)C=C2F)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013187496	0	42	-2.0	-127.58	370.25	8.22	-119.36
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013187785	0	44	-2.0	-136.60	368.69	8.49	-128.11
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013188077	0	45	-2.0	-127.85	385.70	7.91	-119.94
CC1=CC=C(C2=CC=C(C)C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)O1	REAL300013188376	0	45	-2.0	-134.47	380.10	9.28	-125.19
COC1=CC=C(C2=CC=C(C)C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)C=N1	REAL300013188664	0	48	-2.0	-132.65	399.85	6.90	-125.75
CC1=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=CC=C1S(=O)(=O)N(C)C	REAL300013188990	0	46	-2.0	-125.62	380.63	4.67	-120.95
CNS(=O)(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300013189249	0	43	-2.0	-126.04	369.80	3.13	-122.91
CCCC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013189495	0	41	-2.0	-121.43	345.92	6.74	-114.69
O=C([O-])C1CC(NC(=O)NC2=CC3=C(C=C2Cl)OCO3)(C(=O)[O-])C1	REAL300013189825	0	35	-2.0	-115.46	319.51	5.08	-110.38
CC1=CC(N2CCCCCC2)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013190208	0	53	-2.0	-119.11	403.04	8.33	-110.78
O=C([O-])C1CC(NC(=O)NC2=CC(C3=CC=CC=C3)=CC=C2Cl)(C(=O)[O-])C1	REAL300013190455	0	42	-2.0	-126.49	368.97	9.95	-116.54
O=C([O-])C1CC(NC(=O)NC2=CC=NN2CC2CCC2)(C(=O)[O-])C1	REAL300013190741	0	42	-2.0	-120.14	351.05	7.55	-112.59
COC1=CC(C)=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1F	REAL300013191043	0	39	-2.0	-127.90	334.23	6.12	-121.78
CSC1=CC=C(Cl)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013191375	0	36	-2.0	-124.45	334.97	7.56	-116.89
CN1N=C(C2CCCO2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013191699	0	43	-2.0	-127.75	359.12	5.53	-122.22
C=CCN1N=CC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C21	REAL300013192027	0	42	-2.0	-122.39	364.75	7.34	-115.05
O=C([O-])C1CC(NC(=O)NC2=CC=C(C(F)F)C=C2)(C(=O)[O-])C1	REAL300013192305	0	35	-2.0	-116.84	311.78	6.68	-110.16
COCCOCCOC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013192642	0	50	-2.0	-132.83	421.45	5.75	-127.08
CC1CC2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2O1	REAL300013192923	0	40	-2.0	-117.59	336.53	6.38	-111.21
CC1=NOC(CC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)=N1	REAL300013193232	0	43	-2.0	-125.86	375.83	5.94	-119.92
CC1=CC=CC=C1OC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013193502	0	46	-2.0	-130.90	388.46	9.42	-121.48
CC(C)(C)OCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013193818	0	48	-2.0	-117.01	390.38	7.65	-109.36
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1N1CCOCC1=O	REAL300013194065	0	47	-2.0	-133.31	393.13	6.40	-126.91
CCC1=NC(OC)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013194591	0	41	-2.0	-113.63	346.34	4.13	-109.50
O=C([O-])C1CC(NC(=O)NC2=NC3=CC=CC=C3C=C2)(C(=O)[O-])C1	REAL300013195362	0	37	-2.0	-132.14	321.90	7.73	-124.41
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195411	1	50	-2.0	-124.18	417.62	9.94	-114.24
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195412	1	47	-2.0	-120.29	408.53	12.52	-107.77
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300013195413	1	44	-2.0	-128.95	394.63	9.57	-119.38
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195414	1	37	-2.0	-114.44	352.98	7.51	-106.93
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCSCC1	REAL300013195415	1	42	-2.0	-121.56	364.50	8.60	-112.96
COCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195416	1	41	-2.0	-126.08	359.66	6.37	-119.71
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195417	1	44	-2.0	-114.62	381.79	8.34	-106.28
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195418	1	43	-2.0	-117.12	373.24	9.91	-107.21
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CC1	REAL300013195419	1	38	-2.0	-119.50	342.59	9.19	-110.31
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195420	1	40	-2.0	-112.03	376.96	9.99	-102.04
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCOC1	REAL300013195421	1	39	-2.0	-122.31	342.93	5.21	-117.10
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCCCC1	REAL300013195422	1	47	-2.0	-125.30	390.36	9.02	-116.28
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1=CC=C(O)C=C1	REAL300013195423	1	42	-2.0	-125.42	384.24	6.03	-119.39
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013195424	1	48	-2.0	-116.12	408.94	9.75	-106.37
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195425	1	42	-2.0	-124.26	383.90	6.53	-117.73
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195426	1	42	-2.0	-140.46	360.68	6.82	-133.64
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195427	1	41	-2.0	-120.25	368.81	7.88	-112.37
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCOCC1	REAL300013195428	1	45	-2.0	-124.91	381.78	6.54	-118.37
COC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(C(=O)[O-])C1	REAL300013195429	1	45	-2.0	-135.00	382.36	9.17	-125.83
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCCOC1	REAL300013195430	1	45	-2.0	-120.73	381.18	6.64	-114.09
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(C(=O)[O-])C1	REAL300013195431	1	44	-2.0	-136.32	370.81	10.78	-125.54
CC1=CC(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(=O)[O-])=CC=C1F	REAL300013195432	1	44	-2.0	-121.50	399.92	9.59	-111.91
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(=O)[O-])=C1	REAL300013195433	1	47	-2.0	-130.87	415.64	10.18	-120.69
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(=O)[O-])C=C1C	REAL300013195434	1	47	-2.0	-130.82	411.64	10.10	-120.72
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195435	1	40	-2.0	-121.71	354.33	7.32	-114.39
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195436	1	41	-2.0	-135.70	349.89	10.15	-125.55
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195437	1	39	-2.0	-128.05	349.97	10.20	-117.85
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCCCC1	REAL300013195438	1	44	-2.0	-128.39	366.81	8.91	-119.48
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195439	1	38	-2.0	-129.07	337.90	8.75	-120.32
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCCC1	REAL300013195440	1	41	-2.0	-127.70	352.29	7.81	-119.89
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCCCCC1	REAL300013195441	1	47	-2.0	-128.86	372.46	9.57	-119.29
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195442	1	44	-2.0	-122.77	395.66	9.75	-113.02
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195443	1	44	-2.0	-120.63	396.33	11.86	-108.77
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1=CC=CC=C1	REAL300013195444	1	41	-2.0	-128.66	373.23	8.90	-119.76
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1=CC=CC=C1	REAL300013195445	1	41	-2.0	-128.46	372.81	8.86	-119.60
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195446	1	37	-2.0	-120.10	337.29	6.75	-113.35
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195447	1	40	-2.0	-121.71	354.33	7.32	-114.39
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195448	1	34	-2.0	-116.89	315.52	7.87	-109.02
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195449	1	35	-2.0	-123.65	326.76	2.62	-121.03
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195450	1	35	-2.0	-123.65	326.76	2.62	-121.03
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195451	1	44	-2.0	-122.77	395.66	9.75	-113.02
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195452	1	34	-2.0	-105.03	315.46	5.73	-99.30
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195453	1	43	-2.0	-123.02	367.94	7.72	-115.30
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195454	1	34	-2.0	-116.89	315.52	7.87	-109.02
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195455	1	41	-2.0	-135.70	349.89	10.15	-125.55
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195456	1	43	-2.0	-124.04	362.92	7.83	-116.21
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195457	1	40	-2.0	-118.98	347.56	9.19	-109.79
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CC1	REAL300013195458	1	38	-2.0	-119.50	342.59	9.19	-110.31
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195459	1	38	-2.0	-117.73	350.14	9.41	-108.32
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195460	1	43	-2.0	-117.12	373.24	9.91	-107.21
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195461	1	45	-2.0	-137.89	388.28	12.36	-125.53
CC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195462	1	37	-2.0	-101.78	328.04	6.13	-95.65
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)(C(=O)[O-])C1CC1	REAL300013195463	1	41	-2.0	-125.93	354.14	7.90	-118.03
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1=CC=CS1	REAL300013195464	1	38	-2.0	-125.50	364.84	7.97	-117.53
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCCCC1	REAL300013195465	1	44	-2.0	-128.39	366.81	8.91	-119.48
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195466	1	40	-2.0	-118.98	347.56	9.19	-109.79
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195467	1	40	-2.0	-117.52	358.83	9.61	-107.91
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195468	1	37	-2.0	-118.01	337.33	8.85	-109.16
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195469	1	35	-2.0	-123.61	326.89	2.57	-121.04
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195470	1	43	-2.0	-122.39	366.87	7.70	-114.69
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195471	1	34	-2.0	-105.03	315.46	5.73	-99.30
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCCC1	REAL300013195472	1	41	-2.0	-127.70	352.29	7.81	-119.89
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195473	1	44	-2.0	-114.62	402.74	11.93	-102.69
CCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195474	1	40	-2.0	-123.05	341.43	7.07	-115.98
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC2=CC=CC=C2C1	REAL300013195475	1	45	-2.0	-132.20	391.40	9.97	-122.23
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013195476	1	44	-2.0	-130.51	381.54	9.57	-120.94
C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195477	1	34	-2.0	-105.03	315.46	5.73	-99.30
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195478	1	37	-2.0	-118.01	337.33	8.85	-109.16
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195479	1	52	-2.0	-124.64	427.42	10.16	-114.48
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195480	1	39	-2.0	-130.10	349.16	5.37	-124.73
C[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195481	1	34	-2.0	-105.01	315.46	5.73	-99.28
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1	REAL300013195482	1	35	-2.0	-127.40	321.60	6.87	-120.53
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195483	1	39	-2.0	-129.22	341.01	7.77	-121.45
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1(C(=O)[O-])CCCCC1	REAL300013195484	1	47	-2.0	-127.72	378.21	10.63	-117.09
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CC1	REAL300013195485	1	38	-2.0	-122.69	341.52	7.22	-115.47
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195486	1	47	-2.0	-120.72	418.74	12.63	-108.09
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013195487	1	44	-2.0	-121.09	383.14	10.75	-110.34
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195488	1	41	-2.0	-118.40	368.71	8.03	-110.37
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCC2=CC=CC=C21	REAL300013195489	1	45	-2.0	-135.85	388.14	9.83	-126.02
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O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195492	1	39	-2.0	-127.66	349.14	5.38	-122.28
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195493	1	37	-2.0	-111.01	330.43	8.09	-102.92
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195494	1	38	-2.0	-129.05	337.87	8.77	-120.28
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCC1	REAL300013195495	1	38	-2.0	-127.84	338.44	7.40	-120.44
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195496	1	38	-2.0	-120.02	350.33	7.26	-112.76
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195497	1	41	-2.0	-128.50	355.04	9.32	-119.18
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CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195500	1	37	-2.0	-110.97	330.43	8.09	-102.88
CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195501	1	43	-2.0	-120.77	380.05	8.35	-112.42
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C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195504	1	41	-2.0	-128.55	354.96	9.30	-119.25
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1(C(=O)[O-])CCCCC1	REAL300013195505	1	47	-2.0	-127.72	378.21	10.63	-117.09
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCCC1	REAL300013195506	1	44	-2.0	-118.06	373.67	10.42	-107.64
COCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195507	1	38	-2.0	-122.75	349.01	5.03	-117.72
CCCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195508	1	46	-2.0	-120.82	401.55	9.13	-111.69
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195509	1	43	-2.0	-123.25	368.08	7.85	-115.40
CCC1CCC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)(C(=O)[O-])CC1	REAL300013195510	1	50	-2.0	-128.86	405.86	10.16	-118.70
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCOCC1	REAL300013195511	1	45	-2.0	-118.27	382.11	8.76	-109.51
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1(C(=O)[O-])CCCC1	REAL300013195512	1	44	-2.0	-129.46	364.85	9.68	-119.78
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CC1	REAL300013195513	1	41	-2.0	-111.29	355.05	10.55	-100.74
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CC1	REAL300013195514	1	44	-2.0	-115.62	371.86	10.58	-105.04
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1=CC=CC=C1F	REAL300013195515	1	41	-2.0	-133.37	377.85	8.91	-124.46
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195516	1	45	-2.0	-128.07	390.46	11.63	-116.44
CC1=CC=CC(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(=O)[O-])=C1C	REAL300013195517	1	47	-2.0	-129.81	404.19	9.95	-119.86
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195518	1	40	-2.0	-117.52	358.83	9.61	-107.91
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CC1	REAL300013195519	1	45	-2.0	-113.45	385.82	10.12	-103.33
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCC1	REAL300013195520	1	44	-2.0	-110.33	371.34	10.00	-100.33
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(COC)C(=O)[O-]	REAL300013195521	1	47	-2.0	-117.54	396.85	9.14	-108.40
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(CC)C(=O)[O-]	REAL300013195522	1	46	-2.0	-113.73	385.11	10.47	-103.26
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195523	1	43	-2.0	-122.07	375.94	8.09	-113.98
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCOCC1	REAL300013195524	1	42	-2.0	-123.73	358.23	6.42	-117.31
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195525	1	41	-2.0	-120.46	371.36	8.13	-112.33
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195526	1	34	-2.0	-104.71	319.38	5.73	-98.98
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195527	1	43	-2.0	-125.11	357.81	7.97	-117.14
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300013195528	1	45	-2.0	-126.02	402.72	8.18	-117.84
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195529	1	44	-2.0	-128.13	376.35	7.25	-120.88
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195530	1	41	-2.0	-121.49	368.07	8.31	-113.18
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195531	1	41	-2.0	-118.51	370.96	5.81	-112.70
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195532	1	37	-2.0	-115.15	347.67	7.33	-107.82
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013195533	1	47	-2.0	-131.95	398.15	10.41	-121.54
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COC1(CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(=O)[O-])CCC1	REAL300013195535	1	48	-2.0	-125.49	407.38	8.16	-117.33
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCOCC1	REAL300013195536	1	45	-2.0	-118.27	382.11	8.76	-109.51
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCCCC1	REAL300013195537	1	47	-2.0	-119.65	391.06	11.13	-108.52
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)(C(=O)[O-])CC1	REAL300013195538	1	47	-2.0	-129.27	380.61	9.29	-119.98
COC1=CC=CC(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(=O)[O-])=C1	REAL300013195539	1	45	-2.0	-130.65	402.97	8.10	-122.55
CC(CCF)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195540	1	40	-2.0	-117.73	348.02	7.21	-110.52
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC=C(CC3=CC=CC=C3)S1)OC=C2	REAL300013195541	1	42	-2.0	-124.35	373.04	9.75	-114.60
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(=O)[O-])=C1	REAL300013195542	1	45	-2.0	-130.54	402.92	8.11	-122.43
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195543	1	37	-2.0	-110.97	329.92	7.99	-102.98
CC1(C)CCCC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300013195544	1	50	-2.0	-130.55	394.72	9.79	-120.76
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195545	1	39	-2.0	-133.74	344.23	9.33	-124.41
COC1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(C)(C(=O)[O-])C1	REAL300013195546	1	45	-2.0	-127.81	388.20	8.27	-119.54
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195547	1	48	-2.0	-123.16	404.21	8.32	-114.84
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195548	1	43	-2.0	-123.25	368.08	7.85	-115.40
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195549	1	38	-2.0	-117.80	365.52	7.93	-109.87
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195550	1	41	-2.0	-120.01	368.62	8.12	-111.89
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195551	1	42	-2.0	-133.39	357.78	10.08	-123.31
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195552	1	39	-2.0	-128.32	349.92	5.09	-123.23
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195553	1	38	-2.0	-118.42	350.85	8.92	-109.50
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195554	1	38	-2.0	-123.46	344.35	8.85	-114.61
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013195555	1	39	-2.0	-130.11	351.11	9.20	-120.91
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195556	1	48	-2.0	-121.66	408.75	7.56	-114.10
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195557	1	43	-2.0	-122.07	375.94	8.09	-113.98
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCOCC1	REAL300013195558	1	45	-2.0	-124.91	381.78	6.54	-118.37
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1=CC=CC=C1	REAL300013195559	1	41	-2.0	-128.46	372.81	8.86	-119.60
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195560	1	41	-2.0	-121.49	368.07	8.31	-113.18
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195561	1	40	-2.0	-120.08	382.27	6.91	-113.17
CC(C)CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195562	1	49	-2.0	-121.39	419.35	9.58	-111.81
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195563	1	45	-2.0	-128.22	393.24	7.19	-121.03
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195564	1	38	-2.0	-119.58	344.04	3.85	-115.73
CSCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195565	1	38	-2.0	-120.80	360.99	7.09	-113.71
COC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195566	1	38	-2.0	-122.71	349.15	4.97	-117.74
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195567	1	37	-2.0	-120.13	337.29	6.74	-113.39
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195568	1	44	-2.0	-118.28	402.13	9.82	-108.46
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195569	1	46	-2.0	-122.10	393.98	8.76	-113.34
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195570	1	44	-2.0	-120.70	392.86	8.91	-111.79
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195571	1	44	-2.0	-118.19	401.83	9.89	-108.30
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195572	1	39	-2.0	-128.05	349.97	10.20	-117.85
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013195573	1	44	-2.0	-130.51	381.54	9.57	-120.94
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195574	1	38	-2.0	-129.44	338.65	8.49	-120.95
CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195575	1	40	-2.0	-120.68	358.79	7.51	-113.17
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195576	1	40	-2.0	-121.71	354.33	7.32	-114.39
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195577	1	42	-2.0	-136.29	360.59	10.42	-125.87
CCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(C)(C)C(=O)[O-]	REAL300013195578	1	43	-2.0	-125.90	363.07	9.77	-116.13
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(C)C(=O)[O-]	REAL300013195579	1	43	-2.0	-112.24	368.06	9.61	-102.63
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195580	1	40	-2.0	-120.69	358.79	7.51	-113.18
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195581	1	42	-2.0	-129.70	361.99	9.78	-119.92
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1=CC=CC=C1	REAL300013195582	1	41	-2.0	-128.66	373.23	8.90	-119.76
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(C)(C)C(=O)[O-]	REAL300013195583	1	40	-2.0	-124.71	344.57	8.90	-115.81
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195584	1	38	-2.0	-129.05	337.87	8.77	-120.28
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195587	1	46	-2.0	-122.10	393.98	8.76	-113.34
C#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195588	1	36	-2.0	-119.94	343.56	7.16	-112.78
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195589	1	47	-2.0	-117.21	401.15	11.81	-105.40
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195590	1	37	-2.0	-110.97	330.43	8.09	-102.88
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195591	1	44	-2.0	-122.29	389.72	8.71	-113.58
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195592	1	43	-2.0	-119.44	390.60	8.05	-111.39
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195593	1	47	-2.0	-115.32	402.06	9.09	-106.23
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195594	1	46	-2.0	-114.96	390.14	10.59	-104.37
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1=CC=CC=N1	REAL300013195595	1	40	-2.0	-131.72	369.83	7.24	-124.48
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195596	1	47	-2.0	-131.44	392.43	11.22	-120.22
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195597	1	47	-2.0	-117.08	401.08	11.82	-105.26
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195600	1	43	-2.0	-119.44	390.60	8.05	-111.39
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1=CC=CN=C1	REAL300013195601	1	40	-2.0	-124.68	368.11	7.10	-117.58
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195602	1	45	-2.0	-129.18	383.45	9.53	-119.65
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195603	0	45	-2.0	-132.75	391.83	12.75	-120.00
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195604	1	46	-2.0	-120.33	413.57	8.76	-111.57
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195605	1	41	-2.0	-120.46	371.36	8.13	-112.33
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195606	1	40	-2.0	-122.03	381.99	6.82	-115.21
CC#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195607	1	39	-2.0	-121.97	365.38	8.12	-113.85
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1=O	REAL300013195608	1	42	-2.0	-123.78	366.39	8.12	-115.66
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195609	1	41	-2.0	-128.45	355.02	9.31	-119.14
CC(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195610	1	40	-2.0	-121.37	349.32	7.13	-114.24
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1=CC=CC=C1	REAL300013195611	1	41	-2.0	-128.89	373.42	8.82	-120.07
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195612	1	44	-2.0	-128.53	387.24	8.15	-120.38
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195613	1	37	-2.0	-110.97	329.92	7.99	-102.98
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195614	1	40	-2.0	-120.50	357.96	7.53	-112.97
CCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(C)C(=O)[O-]	REAL300013195615	1	40	-2.0	-112.15	347.11	8.89	-103.26
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCCC1	REAL300013195616	1	44	-2.0	-118.06	373.67	10.42	-107.64
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195617	1	43	-2.0	-122.39	366.87	7.70	-114.69
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195618	1	40	-2.0	-112.48	349.83	9.03	-103.45
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC(CO)C1	REAL300013195619	1	42	-2.0	-130.38	370.69	4.67	-125.71
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195620	1	50	-2.0	-126.97	419.98	8.08	-118.89
CC1CCC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300013195621	1	44	-2.0	-129.11	372.33	8.41	-120.70
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195622	1	47	-2.0	-131.42	381.15	9.04	-122.38
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195623	1	41	-2.0	-118.51	370.96	5.81	-112.70
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300013195624	1	44	-2.0	-129.70	374.84	9.10	-120.60
CC1(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C(=O)[O-])CC1	REAL300013195625	1	41	-2.0	-124.40	358.74	8.08	-116.32
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195626	1	50	-2.0	-127.04	421.18	8.02	-119.02
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195627	1	39	-2.0	-136.49	349.93	5.26	-131.23
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCOC1	REAL300013195628	1	42	-2.0	-117.73	367.38	5.78	-111.95
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195629	1	42	-2.0	-133.15	360.03	9.87	-123.28
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(CC3=CC=CC=C3)S1)C2	REAL300013195630	1	40	-2.0	-128.77	351.73	7.55	-121.22
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013195631	1	44	-2.0	-136.21	370.73	10.73	-125.48
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195632	1	47	-2.0	-123.20	409.70	10.08	-113.12
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1(C(=O)[O-])CC1	REAL300013195633	1	38	-2.0	-120.89	343.91	8.51	-112.38
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195634	1	48	-2.0	-123.72	409.14	9.91	-113.81
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCC1	REAL300013195635	1	41	-2.0	-123.50	364.05	7.79	-115.71
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCCCC1	REAL300013195636	1	47	-2.0	-125.30	390.36	9.02	-116.28
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CCC1	REAL300013195637	1	41	-2.0	-123.50	364.05	7.79	-115.71
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1C(=O)[O-]	REAL300013195638	1	41	-2.0	-130.04	351.64	9.30	-120.74
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195639	1	38	-2.0	-120.02	350.33	7.26	-112.76
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195640	1	48	-2.0	-125.30	409.53	8.48	-116.82
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195641	1	48	-2.0	-127.89	385.36	10.63	-117.26
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)(C(=O)[O-])CCO1	REAL300013195642	1	48	-2.0	-124.99	387.31	7.70	-117.29
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195643	1	48	-2.0	-123.72	409.14	9.91	-113.81
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195644	1	44	-2.0	-120.34	401.89	9.89	-110.45
COC1CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300013195645	1	42	-2.0	-124.51	370.00	6.27	-118.24
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC(F)(F)C1	REAL300013195646	1	38	-2.0	-121.15	346.84	7.43	-113.72
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300013195647	1	42	-2.0	-130.49	370.54	6.65	-123.84
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1(C(F)(F)F)CC1	REAL300013195648	1	41	-2.0	-119.23	375.25	8.51	-110.72
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195649	1	44	-2.0	-130.88	368.37	10.55	-120.33
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195650	1	37	-2.0	-114.44	352.98	7.51	-106.93
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195651	1	45	-2.0	-121.57	390.85	6.82	-114.75
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)COC1	REAL300013195652	1	36	-2.0	-119.12	329.24	4.44	-114.68
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COCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195698	1	44	-2.0	-121.58	392.46	6.58	-115.00
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013195699	1	43	-2.0	-112.80	372.38	9.95	-102.85
CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195700	1	41	-2.0	-123.66	370.87	6.00	-117.66
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195701	1	46	-2.0	-122.55	388.11	9.15	-113.40
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O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=C(Br)C=C1	REAL300013195754	1	35	-2.0	-125.33	337.04	6.92	-118.41
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O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC(F)=CC=C1F	REAL300013195757	1	35	-2.0	-131.34	326.87	6.37	-124.97
CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013195758	1	38	-2.0	-134.54	324.11	6.97	-127.57
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195759	1	46	-2.0	-128.75	369.98	7.56	-121.19
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CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013195762	1	41	-2.0	-131.51	320.77	8.03	-123.48
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CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013195764	1	38	-2.0	-124.79	325.71	8.14	-116.65
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O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195767	1	38	-2.0	-138.73	307.31	8.35	-130.38
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC(O)=C1	REAL300013195768	1	36	-2.0	-132.46	326.40	3.39	-129.07
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CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013195770	1	41	-2.0	-131.51	320.77	8.03	-123.48
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CCCCCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195772	1	40	-2.0	-124.61	343.51	6.50	-118.11
CCC1CCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])CC1	REAL300013195773	1	44	-2.0	-132.71	348.43	7.57	-125.14
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CCOCC1	REAL300013195774	1	39	-2.0	-122.17	324.67	6.14	-116.03
CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1(C(=O)[O-])CCCC1	REAL300013195775	1	38	-2.0	-136.22	308.75	7.39	-128.83
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CC1	REAL300013195776	1	38	-2.0	-119.23	314.70	8.15	-111.08
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1Cl	REAL300013195777	1	35	-2.0	-132.92	327.98	6.64	-126.28
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1F	REAL300013195778	1	35	-2.0	-137.33	320.42	6.31	-131.02
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195779	1	39	-2.0	-131.87	332.92	9.02	-122.85
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])=C1C	REAL300013195780	1	41	-2.0	-133.99	346.01	7.24	-126.75
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1F	REAL300013195781	1	39	-2.0	-128.32	351.71	5.59	-122.73
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195782	1	41	-2.0	-112.78	371.59	9.96	-102.82
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CC1	REAL300013195783	1	39	-2.0	-116.97	327.46	7.54	-109.43
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CCC1	REAL300013195784	1	38	-2.0	-114.00	313.83	7.33	-106.67
CCCN(C(=O)[N-]C1=NC2=C(CCC2)S1)C(COC)C(=O)[O-]	REAL300013195785	1	41	-2.0	-128.87	343.96	7.85	-121.02
CCCN(C(=O)[N-]C1=NC2=C(CCC2)S1)C(CC)C(=O)[O-]	REAL300013195786	1	40	-2.0	-125.69	328.78	8.94	-116.75
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCOCC1	REAL300013195787	1	36	-2.0	-127.48	300.79	3.81	-123.67
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1	REAL300013195788	1	39	-2.0	-129.98	345.23	5.60	-124.38
CCC(COC)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195789	1	38	-2.0	-131.97	318.91	4.66	-127.31
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCS(=O)(=O)CC1	REAL300013195790	1	38	-2.0	-126.14	325.90	2.29	-123.85
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195791	1	31	-2.0	-118.56	291.36	4.45	-114.11
CCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013195792	1	41	-2.0	-129.19	357.51	8.37	-120.82
CCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013195793	1	41	-2.0	-135.92	340.82	7.85	-128.07
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C1	REAL300013195794	1	45	-2.0	-130.70	370.97	5.60	-125.10
COC1(CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])CCC1	REAL300013195795	1	42	-2.0	-129.70	349.81	5.48	-124.22
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC3=C(CCC3)S2)=C1	REAL300013195796	1	42	-2.0	-130.03	358.47	7.70	-122.33
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CCOCC1	REAL300013195797	1	39	-2.0	-122.17	324.67	6.14	-116.03
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CCCCC1	REAL300013195798	1	41	-2.0	-123.61	333.62	8.52	-115.09
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])CC1	REAL300013195799	1	41	-2.0	-133.12	323.17	6.69	-126.43
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])=C1	REAL300013195800	1	39	-2.0	-134.54	345.48	5.50	-129.04
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1Br	REAL300013195801	1	35	-2.0	-131.90	331.12	6.71	-125.19
CC(CCF)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195802	1	34	-2.0	-121.66	290.58	4.61	-117.05
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC3=C(CCC3)S1)OC=C2	REAL300013195803	1	36	-2.0	-127.84	315.59	7.15	-120.69
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])=C1	REAL300013195804	1	39	-2.0	-134.54	345.49	5.49	-129.05
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013195805	1	41	-2.0	-134.62	347.20	8.17	-126.45
COC1=CC=CC(CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])=C1	REAL300013195806	1	42	-2.0	-129.19	367.73	6.47	-122.72
CC1(C)CCCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])C1	REAL300013195807	1	44	-2.0	-134.37	337.28	7.19	-127.18
CC(CC1=CC=C(Cl)C=C1)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195808	1	41	-2.0	-126.01	358.14	7.82	-118.19
CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013195809	1	40	-2.0	-133.04	352.34	7.63	-125.41
COC1CN(C(=O)[N-]C2=NC3=C(CCC3)S2)C(C)(C(=O)[O-])C1	REAL300013195810	1	39	-2.0	-131.75	330.76	5.67	-126.08
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195811	1	42	-2.0	-126.99	346.18	5.68	-121.31
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195812	1	32	-2.0	-121.61	309.12	5.19	-116.42
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195813	1	36	-2.0	-137.39	300.34	7.47	-129.92
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195814	1	41	-2.0	-125.76	347.82	7.37	-118.39
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195815	1	32	-2.0	-115.17	291.35	5.87	-109.30
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195816	1	42	-2.0	-124.00	346.86	5.69	-118.31
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1CCOCC1	REAL300013195817	1	39	-2.0	-126.34	329.87	4.18	-122.16
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1	REAL300013195818	1	35	-2.0	-132.67	315.76	6.29	-126.38
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300013195819	1	38	-2.0	-127.51	354.72	7.21	-120.30
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195820	1	34	-2.0	-123.79	323.99	4.34	-119.45
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195821	1	43	-2.0	-125.20	361.91	6.98	-118.22
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195822	1	41	-2.0	-129.89	367.61	7.68	-122.21
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195823	1	39	-2.0	-132.08	335.80	4.58	-127.50
CSCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195824	1	32	-2.0	-124.52	303.32	4.55	-119.97
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195825	1	38	-2.0	-121.97	344.69	7.23	-114.74
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195826	1	40	-2.0	-127.01	336.78	6.14	-120.87
C=CCCCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195827	1	38	-2.0	-124.54	335.66	6.24	-118.30
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195828	1	38	-2.0	-122.00	344.63	7.23	-114.77
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC2=CC=CC=C21	REAL300013195829	1	41	-2.0	-126.27	356.25	8.63	-117.64
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195830	1	33	-2.0	-131.93	292.53	7.59	-124.34
CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013195831	1	38	-2.0	-134.54	324.11	6.97	-127.57
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195832	1	36	-2.0	-140.36	303.25	7.86	-132.50
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195833	1	40	-2.0	-124.88	337.72	7.72	-117.16
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195834	1	36	-2.0	-133.79	305.19	7.09	-126.70
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1	REAL300013195835	1	35	-2.0	-132.76	316.05	6.22	-126.54
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=C(C(F)(F)F)C=C1	REAL300013195836	1	38	-2.0	-123.47	354.75	7.22	-116.25
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195838	1	40	-2.0	-127.01	336.78	6.14	-120.87
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195839	1	41	-2.0	-126.87	351.10	10.37	-116.50
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195840	1	38	-2.0	-125.66	331.56	6.05	-119.61
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195841	1	37	-2.0	-123.33	333.40	5.39	-117.94
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195842	1	41	-2.0	-118.49	344.30	6.52	-111.97
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195843	1	40	-2.0	-117.20	330.21	7.91	-109.29
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=N1	REAL300013195844	1	34	-2.0	-135.46	312.15	4.70	-130.76
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195845	1	41	-2.0	-135.49	335.05	8.52	-126.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195846	1	41	-2.0	-121.08	344.09	9.28	-111.80
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195848	1	37	-2.0	-123.33	333.40	5.39	-117.94
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CN=C1	REAL300013195849	1	34	-2.0	-128.68	310.91	4.43	-124.25
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195850	1	39	-2.0	-133.42	326.46	6.93	-126.49
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195851	0	39	-2.0	-136.99	334.36	10.14	-126.85
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC3=C(CCC3)S2)[C@H]1C(=O)[O-]	REAL300013195852	0	42	-2.0	-123.53	343.04	9.07	-114.46
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195853	1	40	-2.0	-124.00	356.14	6.17	-117.83
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195854	1	34	-2.0	-125.71	324.56	4.21	-121.50
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195855	1	35	-2.0	-117.70	344.31	5.96	-111.74
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1=O	REAL300013195856	1	36	-2.0	-127.92	308.82	5.53	-122.39
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CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195858	1	38	-2.0	-130.24	325.46	5.50	-124.74
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CCN(C(=O)[N-]C1=NC2=C(CCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013195861	1	44	-2.0	-132.12	363.70	10.34	-121.78
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CC1CCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])C1	REAL300013195863	1	38	-2.0	-132.70	315.91	5.83	-126.87
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CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])C1	REAL300013195865	1	38	-2.0	-133.80	317.42	6.51	-127.29
CC1CCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])C2=CC=CC=C21	REAL300013195866	1	45	-2.0	-142.23	364.87	8.54	-133.69
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CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013195873	1	38	-2.0	-140.29	313.15	8.18	-132.11
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195874	1	41	-2.0	-127.59	353.37	7.50	-120.09
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CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])CC(C)(C)O1	REAL300013195876	1	48	-2.0	-130.74	373.27	6.89	-123.85
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CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])CCO1	REAL300013195880	1	42	-2.0	-128.61	329.91	5.10	-123.51
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CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC3=C(CCC3)S1)C2C(=O)[O-]	REAL300013195882	1	42	-2.0	-147.27	346.78	10.11	-137.16
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COC1CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])C1	REAL300013195885	1	36	-2.0	-128.47	312.56	3.67	-124.80
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CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])C1	REAL300013195887	1	36	-2.0	-128.22	312.71	3.66	-124.56
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COC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1	REAL300013195906	1	42	-2.0	-126.11	367.78	6.46	-119.65
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COC1(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])CCC1	REAL300013195910	1	39	-2.0	-131.09	328.58	4.57	-126.52
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O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])C1	REAL300013195914	1	34	-3.0	-206.99	308.00	5.29	-201.70
CC(C)(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1	REAL300013195915	1	47	-2.0	-132.71	391.99	8.62	-124.09
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1	REAL300013195916	1	44	-2.0	-132.49	376.01	8.22	-124.27
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CC1(C)CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)C1C(=O)[O-]	REAL300013195918	1	38	-2.0	-136.77	314.41	6.93	-129.84
CCOC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1	REAL300013195919	1	42	-2.0	-129.72	367.11	6.51	-123.21
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195920	1	42	-2.0	-143.11	337.99	9.31	-133.80
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1CCC2=CC=CC=C21	REAL300013195921	1	42	-2.0	-131.84	356.93	8.25	-123.59
CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195922	1	42	-2.0	-133.42	358.44	7.21	-126.21
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195923	1	38	-2.0	-125.10	352.24	7.14	-117.96
CC(C)CCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195924	1	40	-2.0	-125.18	340.41	6.20	-118.98
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O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195926	1	39	-2.0	-125.30	333.41	4.22	-121.08
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013195927	1	36	-2.0	-121.67	321.45	6.88	-114.79
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCCC2CC21	REAL300013195928	1	39	-2.0	-135.50	315.07	6.95	-128.55
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCC2CC21	REAL300013195929	1	36	-2.0	-133.90	302.34	6.04	-127.86
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O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC3=C(CCC3)S1)CCCCC2	REAL300013195931	1	45	-2.0	-134.54	356.94	8.64	-125.90
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CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013195935	1	38	-2.0	-132.09	320.64	6.98	-125.11
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CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300013195937	1	41	-2.0	-126.24	362.82	7.97	-118.27
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O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195940	1	38	-2.0	-124.14	344.69	7.22	-116.92
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CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195942	1	35	-2.0	-125.86	310.03	6.91	-118.95
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CC2(CC(F)(F)C2)C1	REAL300013195943	1	39	-2.0	-131.93	342.81	6.86	-125.07
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O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195945	1	35	-2.0	-124.26	329.11	6.10	-118.16
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195946	1	39	-2.0	-129.77	317.51	6.91	-122.86
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=C(O)C=C1	REAL300013195947	1	36	-2.0	-129.36	326.78	3.44	-125.92
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CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013195949	1	40	-2.0	-126.23	330.70	6.55	-119.68
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C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(CCC3)S2)[C@@H]1C(=O)[O-]	REAL300013195953	1	36	-2.0	-135.50	303.82	5.85	-129.65
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O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C12CC3CC(CC(C3)C1)C2	REAL300013195955	1	49	-2.0	-135.91	371.73	8.31	-127.60
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195956	1	41	-2.0	-129.04	362.77	7.53	-121.51
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195957	1	35	-2.0	-124.32	320.56	7.38	-116.94
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195958	1	46	-2.0	-132.69	352.90	7.60	-125.09
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013195959	1	37	-2.0	-121.87	350.01	5.77	-116.10
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013195960	1	39	-2.0	-128.82	334.79	6.17	-122.65
C=CCN(C(=O)[N-]C1=NC(C(C)C)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013195961	1	47	-2.0	-105.88	391.46	10.15	-95.73
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300013195962	1	40	-2.0	-116.47	366.27	6.84	-109.63
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300013195963	1	46	-2.0	-120.25	395.09	8.72	-111.53
CC(C)C1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013195964	1	46	-2.0	-116.09	372.64	6.80	-109.29
CC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013195965	1	43	-2.0	-116.85	364.36	9.35	-107.50
CC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])C=C1	REAL300013195966	1	40	-2.0	-120.86	350.46	6.41	-114.45
CC(C)C1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013195967	1	33	-2.0	-107.39	309.04	4.28	-103.11
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300013195968	1	43	-2.0	-123.60	374.67	7.95	-115.65
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300013195969	1	38	-2.0	-113.79	320.33	5.38	-108.41
COCC(C)(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013195970	1	37	-2.0	-118.15	315.49	3.15	-115.00
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)C)=CS1	REAL300013195971	1	40	-2.0	-108.03	337.61	5.18	-102.85
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)C)=CS1	REAL300013195972	1	46	-2.0	-116.96	379.26	9.38	-107.58
CC(C)C1=CSC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300013195973	1	36	-2.0	-108.50	332.79	6.83	-101.67
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013195974	1	43	-2.0	-117.35	346.20	5.86	-111.49
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013195975	1	38	-2.0	-117.71	340.06	2.88	-114.83
CC(C)C1=CSC([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])=N1	REAL300013195976	1	44	-2.0	-109.71	365.39	6.67	-103.04
CC(C)C1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=N1	REAL300013195977	1	44	-2.0	-129.28	368.54	9.93	-119.35
C=CCOCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013195978	1	38	-2.0	-116.75	339.73	3.38	-113.37
CC(C)C1=CSC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013195979	1	38	-2.0	-130.04	316.51	3.59	-126.45
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013195980	1	41	-2.0	-116.57	337.06	3.45	-113.12
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300013195981	1	37	-2.0	-110.74	342.01	5.77	-104.97
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300013195982	1	37	-2.0	-111.39	351.90	6.22	-105.17
COC1CCN(C(=O)[N-]C2=NC(C(C)C)=CS2)C(C(=O)[O-])C1	REAL300013195983	1	41	-2.0	-124.98	338.19	5.93	-119.05
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300013195984	1	41	-2.0	-113.38	337.58	3.40	-109.98
CC(C)C1=CSC([N-]C(=O)N2CCC(C)CC2C(=O)[O-])=N1	REAL300013195985	1	40	-2.0	-126.14	326.64	7.54	-118.60
CC1=CC(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])=CC=C1F	REAL300013195986	1	40	-2.0	-113.72	356.01	6.35	-107.37
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300013195987	1	42	-2.0	-119.17	364.60	5.53	-113.64
CC1=CC(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])=CC(C)=C1	REAL300013195988	1	43	-2.0	-122.71	371.49	7.02	-115.69
CC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])C=C1C	REAL300013195989	1	43	-2.0	-122.58	367.49	6.94	-115.64
COC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])C=C1O	REAL300013195990	1	42	-2.0	-118.21	368.92	2.81	-115.40
COC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])C=C1Cl	REAL300013195991	1	41	-2.0	-116.90	374.59	5.59	-111.31
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013195992	1	37	-2.0	-113.74	345.78	6.26	-107.48
CC(C)C1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013195993	1	35	-2.0	-118.07	305.82	6.96	-111.11
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013195994	1	40	-2.0	-120.09	322.64	5.71	-114.38
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300013195995	1	43	-2.0	-120.69	328.30	6.36	-114.33
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013195996	1	40	-2.0	-114.98	351.49	6.59	-108.39
CC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013195997	1	40	-2.0	-116.54	352.16	8.70	-107.84
CC(C)C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013195998	1	37	-2.0	-120.64	329.29	5.65	-114.99
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013195999	1	37	-2.0	-120.50	328.65	5.69	-114.81
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013196000	1	40	-2.0	-114.98	351.49	6.59	-108.39
CC(C)C1=CSC([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300013196001	1	41	-2.0	-127.40	343.73	9.00	-118.40
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300013196002	1	34	-2.0	-117.58	320.93	4.74	-112.84
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013196003	1	40	-2.0	-120.09	322.64	5.71	-114.38
CC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=N1	REAL300013196004	1	40	-2.0	-111.47	368.90	9.22	-102.25
CC(C)C1=CSC([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013196005	1	44	-2.0	-120.57	379.75	6.71	-113.86
COC1=CC(CN(CC(=O)[O-])C(=O)[N-]C2=NC(C(C)C)=CS2)=CC(OC)=C1	REAL300013196006	1	48	-2.0	-120.73	411.17	7.31	-113.42
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300013196007	1	37	-2.0	-113.76	350.35	6.36	-107.40
CC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300013196008	1	40	-2.0	-111.07	358.57	8.77	-102.30
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013196009	1	41	-2.0	-123.37	348.63	6.87	-116.50
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300013196010	1	37	-2.0	-119.08	339.90	5.87	-113.21
CC(C)C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013196011	1	40	-2.0	-122.37	337.37	6.37	-116.00
CCCCCCC(C)(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196012	1	48	-2.0	-116.84	383.24	6.96	-109.88
CC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)=N1	REAL300013196013	1	41	-2.0	-118.21	374.25	6.55	-111.66
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013196014	1	37	-2.0	-113.74	345.78	6.26	-107.48
CC(C)C1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013196015	1	43	-2.0	-119.70	334.05	7.45	-112.25
CC(C)C1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013196016	1	43	-2.0	-116.49	374.56	9.47	-107.02
CC(C)C1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013196017	1	40	-2.0	-114.63	338.26	7.53	-107.10
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)C)=CS1	REAL300013196018	1	37	-2.0	-114.88	324.53	4.87	-110.01
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300013196019	1	41	-2.0	-127.37	343.96	6.63	-120.74
CC(C)C1=CSC([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013196020	1	44	-2.0	-120.62	385.21	6.60	-114.02
CC(C)C1=CSC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013196021	1	40	-2.0	-125.17	320.57	7.75	-117.42
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300013196022	1	38	-2.0	-119.67	340.10	2.87	-116.80
CC(C)C1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013196023	1	43	-2.0	-116.49	374.56	9.47	-107.02
CC(C)C1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013196024	1	43	-2.0	-119.70	334.05	7.45	-112.25
CC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013196025	1	40	-2.0	-114.96	329.49	7.25	-107.71
CCCCCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196026	1	42	-2.0	-113.17	357.36	5.97	-107.20
CCC1CCC(NC(=O)[N-]C2=NC(C(C)C)=CS2)(C(=O)[O-])CC1	REAL300013196027	1	46	-2.0	-120.43	361.71	6.95	-113.48
CC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013196028	1	41	-2.0	-114.75	337.96	5.59	-109.16
CC(C)C1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)=N1	REAL300013196029	1	40	-2.0	-121.42	320.71	6.50	-114.92
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C(C)C)=CS1)C1CC1	REAL300013196030	1	40	-2.0	-109.09	327.98	7.60	-101.49
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300013196031	1	37	-2.0	-120.69	339.42	6.08	-114.61
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300013196032	1	37	-2.0	-124.16	332.90	5.76	-118.40
CC(C)C1=CSC([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013196033	1	41	-2.0	-119.91	346.31	8.47	-111.44
CC1=CC=CC(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])=C1C	REAL300013196034	1	43	-2.0	-122.05	362.06	6.78	-115.27
COC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])C=C1F	REAL300013196035	1	41	-2.0	-117.03	364.78	5.11	-111.92
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C(C)C)=CS1)C1CC1	REAL300013196036	1	41	-2.0	-106.58	341.67	6.96	-99.62
CC(C)C1=CSC([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)=N1	REAL300013196037	1	40	-2.0	-107.04	326.98	6.76	-100.28
CCCN(C(=O)[N-]C1=NC(C(C)C)=CS1)C(COC)C(=O)[O-]	REAL300013196038	1	43	-2.0	-110.91	352.68	5.99	-104.92
CCCN(C(=O)[N-]C1=NC(C(C)C)=CS1)C(CC)C(=O)[O-]	REAL300013196039	1	42	-2.0	-108.49	341.39	7.50	-100.99
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013196040	1	38	-2.0	-115.90	314.06	3.21	-112.69
COC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])C=C1	REAL300013196041	1	41	-2.0	-118.17	358.54	5.03	-113.14
CCC(COC)(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196042	1	40	-2.0	-120.01	332.17	4.06	-115.95
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)=N1	REAL300013196043	1	40	-2.0	-114.84	339.10	1.69	-113.15
COCCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196044	1	37	-2.0	-111.09	326.54	2.71	-108.38
CC(C)C1=CSC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013196045	1	33	-2.0	-107.52	305.46	3.88	-103.64
CCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013196046	1	43	-2.0	-117.43	370.78	7.76	-109.67
CCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013196047	1	43	-2.0	-123.76	354.09	7.24	-116.52
COC1CCCC(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])C1	REAL300013196048	1	47	-2.0	-120.04	379.34	4.79	-115.25
COC1(CC(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])CCC1	REAL300013196049	1	44	-2.0	-118.77	364.87	4.61	-114.16
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC(C(C)C)=CS2)=C1	REAL300013196050	1	44	-2.0	-117.10	367.77	6.83	-110.27
CC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013196051	1	41	-2.0	-114.75	337.96	5.59	-109.16
CC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300013196052	1	43	-2.0	-116.18	346.90	7.96	-108.22
CC(C)C1=CSC([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)=N1	REAL300013196053	1	43	-2.0	-120.78	336.44	6.09	-114.69
COC1=CC=CC(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])=C1	REAL300013196054	1	41	-2.0	-122.25	358.82	4.95	-117.30
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)=N1	REAL300013196055	1	37	-2.0	-119.88	344.35	6.15	-113.73
CC(C)C1=CSC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013196056	1	36	-2.0	-110.35	303.84	4.01	-106.34
CC(C)C1=CSC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300013196057	1	38	-2.0	-116.28	328.89	6.59	-109.69
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])=C1	REAL300013196058	1	41	-2.0	-122.23	358.74	4.95	-117.28
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)C)=CS2)C1	REAL300013196059	1	43	-2.0	-121.09	360.44	7.53	-113.56
COC1=CC=CC(CC(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])=C1	REAL300013196060	1	44	-2.0	-117.94	380.76	5.97	-111.97
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300013196061	1	46	-2.0	-122.08	350.57	6.57	-115.51
CC(C)C1=CSC([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=N1	REAL300013196062	1	43	-2.0	-114.37	371.42	7.22	-107.15
CC(C)C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300013196063	1	42	-2.0	-121.88	365.59	7.04	-114.84
COC1CN(C(=O)[N-]C2=NC(C(C)C)=CS2)C(C)(C(=O)[O-])C1	REAL300013196064	1	41	-2.0	-120.07	344.03	5.07	-115.00
CC(C)C1=CSC([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300013196065	1	44	-2.0	-115.72	360.30	5.11	-110.61
C=C(Cl)CC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196066	1	34	-2.0	-110.94	321.58	4.70	-106.24
CC(C)C1=CSC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013196067	1	38	-2.0	-124.25	313.61	6.85	-117.40
CC(C)C1=CSC([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013196068	1	43	-2.0	-114.20	361.10	6.77	-107.43
CC(C)C1=CSC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013196069	1	34	-2.0	-110.47	306.69	5.71	-104.76
CC(C)C1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013196070	1	34	-2.0	-115.44	300.18	5.65	-109.79
CC(C)C1=CSC([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300013196071	1	44	-2.0	-113.87	363.74	4.42	-109.45
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013196072	1	41	-2.0	-116.57	337.06	3.45	-113.12
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013196073	1	37	-2.0	-120.50	328.65	5.69	-114.81
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300013196074	1	40	-2.0	-115.53	368.05	6.65	-108.88
CC(C)C1=CSC([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])=N1	REAL300013196075	1	36	-2.0	-112.91	338.12	3.76	-109.15
CC(C)CCCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196076	1	45	-2.0	-113.56	374.93	6.49	-107.07
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300013196077	1	43	-2.0	-118.36	381.44	6.99	-111.37
CC(C)C1=CSC([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300013196078	1	41	-2.0	-120.00	349.06	4.03	-115.97
CSCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196079	1	34	-2.0	-113.10	316.57	4.00	-109.10
CC(C)C1=CSC([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013196080	1	40	-2.0	-110.80	357.71	6.73	-104.07
CCC(C)CC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196081	1	42	-2.0	-114.43	350.04	5.54	-108.89
C=CCCCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196082	1	40	-2.0	-113.00	348.68	5.75	-107.25
CC(C)C1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013196083	1	40	-2.0	-110.77	357.06	6.69	-104.08
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=N1	REAL300013196084	1	43	-2.0	-115.78	369.49	8.07	-107.71
CC(C)C1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013196085	1	35	-2.0	-118.07	305.82	6.96	-111.11
CC(C)C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013196086	1	40	-2.0	-122.37	337.37	6.37	-116.00
CC(C)C1=CSC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013196087	1	38	-2.0	-126.71	316.43	7.20	-119.51
CC(C)C1=CSC([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013196088	1	42	-2.0	-114.28	351.00	7.18	-107.10
CC(C)C1=CSC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013196089	1	38	-2.0	-127.64	317.18	6.66	-120.98
CC(C)C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013196090	1	37	-2.0	-120.64	329.29	5.65	-114.99
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013196091	1	40	-2.0	-112.08	368.03	6.66	-105.42
CCC(C)CC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196094	1	42	-2.0	-114.43	350.04	5.54	-108.89
CC(C)C1=CSC([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])=N1	REAL300013196095	1	43	-2.0	-112.52	356.97	8.64	-103.88
CC(C)=CCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196096	1	40	-2.0	-114.53	345.51	5.55	-108.98
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013196097	1	39	-2.0	-112.06	346.66	4.83	-107.23
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)C)=CS1	REAL300013196098	1	43	-2.0	-108.88	357.88	5.93	-102.95
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)C)=CS1	REAL300013196099	1	42	-2.0	-108.27	345.96	7.43	-100.84
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1	REAL300013196100	1	36	-2.0	-123.63	325.42	4.15	-119.48
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C(C)C)=CS1	REAL300013196101	1	43	-2.0	-123.40	348.26	8.02	-115.38
CC(C)C1=CSC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013196102	1	43	-2.0	-112.41	356.29	8.54	-103.87
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013196105	1	39	-2.0	-112.06	346.66	4.83	-107.23
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300013196106	1	36	-2.0	-117.33	324.19	3.87	-113.46
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C(C)C)=CS1	REAL300013196107	1	41	-2.0	-122.21	339.27	6.29	-115.92
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC(C(C)C)=CS1	REAL300013196108	0	41	-2.0	-124.39	347.70	9.54	-114.85
CC(C)C1=CSC([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])=N1	REAL300013196109	0	44	-2.0	-118.80	358.36	9.03	-109.77
CC(C)C1=CSC([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013196110	1	42	-2.0	-112.82	369.40	5.61	-107.21
CC(C)C1=CSC([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300013196111	1	36	-2.0	-114.12	338.09	3.59	-110.53
CC(C)C1=CSC([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300013196112	1	37	-2.0	-106.91	357.58	5.41	-101.50
CC(C)C1=CSC([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=N1	REAL300013196113	1	38	-2.0	-115.06	322.22	4.89	-110.17
CC(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013196114	1	37	-2.0	-120.68	329.24	5.67	-115.01
CC(C)C1=CSC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300013196115	1	40	-2.0	-121.18	343.08	4.94	-116.24
CC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013196116	1	40	-2.0	-114.96	329.49	7.25	-107.71
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013196117	1	38	-2.0	-121.74	326.54	1.47	-120.27
CCN(C(=O)[N-]C1=NC(C(C)C)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013196118	1	46	-2.0	-120.45	377.10	9.75	-110.70
CC(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N1	REAL300013196119	1	46	-2.0	-119.64	377.12	4.85	-114.79
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)=N1	REAL300013196120	1	40	-2.0	-120.70	328.17	5.20	-115.50
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300013196121	1	43	-2.0	-122.92	338.68	5.97	-116.95
COCCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196122	1	37	-2.0	-111.09	326.54	2.71	-108.38
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013196123	1	40	-2.0	-120.97	330.69	5.89	-115.08
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=N1	REAL300013196124	1	47	-2.0	-129.52	378.17	7.94	-121.58
CC(C)C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N1	REAL300013196125	1	46	-2.0	-119.51	377.16	4.80	-114.71
CC(C)C1=CSC([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013196126	1	45	-2.0	-124.94	373.47	9.57	-115.37
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013196127	1	38	-2.0	-111.66	320.34	2.52	-109.14
CC(C)C1=CSC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013196128	1	38	-2.0	-124.18	316.11	6.69	-117.49
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=N1	REAL300013196129	1	41	-2.0	-126.88	361.23	5.72	-121.16
CC(C)C1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013196130	1	36	-2.0	-119.85	307.58	4.33	-115.52
CC(C)C1=CSC([N-]C(=O)N2CC(C)CCC2C(=O)[O-])=N1	REAL300013196131	1	40	-2.0	-126.30	326.58	7.50	-118.80
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013196132	1	43	-2.0	-115.64	365.53	6.92	-108.72
CC(C)C1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013196133	1	44	-2.0	-115.92	365.81	6.73	-109.19
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=N1	REAL300013196134	1	50	-2.0	-118.90	386.53	6.28	-112.62
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013196135	1	43	-2.0	-117.35	346.20	5.86	-111.49
CC(C)C1=CSC([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300013196136	1	44	-2.0	-117.41	365.14	5.39	-112.02
CC(C)C1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300013196137	1	44	-2.0	-126.59	341.20	7.47	-119.12
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=N1	REAL300013196138	1	44	-2.0	-116.93	343.16	4.51	-112.42
CC(C)C1=CSC([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013196139	1	43	-2.0	-117.15	389.74	7.86	-109.29
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC(C(C)C)=CS1)C2C(=O)[O-]	REAL300013196140	1	44	-2.0	-120.81	363.87	8.95	-111.86
CC(C)C1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013196141	1	44	-2.0	-115.92	365.81	6.73	-109.19
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013196142	1	40	-2.0	-112.43	357.71	6.73	-105.70
COC1CC(NC(=O)[N-]C2=NC(C(C)C)=CS2)(C(=O)[O-])C1	REAL300013196143	1	38	-2.0	-116.10	325.84	3.06	-113.04
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013196144	1	34	-2.0	-113.12	302.69	4.21	-108.91
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C(C)C)=CS2)(C(=O)[O-])C1	REAL300013196145	1	38	-2.0	-121.83	326.32	3.45	-118.38
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300013196146	1	37	-2.0	-111.84	333.26	5.33	-106.51
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C(C)C)=CS1	REAL300013196147	1	40	-2.0	-122.68	324.20	7.34	-115.34
CC(C)C1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013196148	1	33	-2.0	-107.39	309.04	4.28	-103.11
CC(C)C1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013196149	1	41	-2.0	-113.85	346.94	3.59	-110.26
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300013196150	1	37	-2.0	-113.33	343.52	5.65	-107.68
COCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013196151	1	44	-2.0	-123.52	370.06	5.54	-117.98
CC(C)C1=CSC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013196152	1	38	-2.0	-124.58	316.83	6.21	-118.37
CC(C)C1=CSC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013196153	1	43	-2.0	-112.41	356.29	8.54	-103.87
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])=N1	REAL300013196154	1	44	-2.0	-116.46	390.74	6.19	-110.27
CC(C)C1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013196155	1	46	-2.0	-116.09	372.64	6.80	-109.29
CC(C)C1=CSC([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013196156	1	43	-2.0	-115.07	373.69	7.39	-107.68
CC(C)C1=CSC([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013196157	1	43	-2.0	-115.22	374.52	7.37	-107.85
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300013196158	1	44	-2.0	-118.49	354.90	6.44	-112.05
CC(C)C1=CSC([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013196159	1	46	-2.0	-116.17	373.49	6.79	-109.38
CC(C)C1=CSC([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013196160	1	46	-2.0	-116.16	373.44	6.79	-109.37
CC(C)C1=CSC([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300013196161	1	44	-2.0	-125.86	356.03	7.60	-118.26
CC(C)C1=CSC([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300013196162	1	44	-2.0	-124.96	351.46	7.39	-117.57
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)=N1	REAL300013196163	1	44	-2.0	-120.97	393.41	6.28	-114.69
COC1=CC=C(CC(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])C=C1	REAL300013196164	1	44	-2.0	-115.16	380.99	5.91	-109.25
C=CCSCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196165	1	38	-2.0	-113.74	350.84	5.45	-108.29
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=N1	REAL300013196166	1	41	-2.0	-109.98	371.44	7.03	-102.95
CC(C)C1=CSC([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=N1	REAL300013196167	1	44	-2.0	-126.28	390.96	6.65	-119.63
COC1(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])CCC1	REAL300013196168	1	41	-2.0	-114.35	340.71	3.25	-111.10
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=N1	REAL300013196169	1	43	-2.0	-115.99	355.06	6.54	-109.45
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=N1	REAL300013196170	1	44	-2.0	-123.91	360.56	7.63	-116.28
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300013196171	1	37	-2.0	-115.65	324.37	4.92	-110.73
CC(C)C1=CSC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013196172	0	37	-2.0	-115.53	326.38	5.98	-109.55
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013196172	1	36	-3.0	-192.64	321.77	4.67	-187.97
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300013196173	1	49	-2.0	-120.72	405.25	8.06	-112.66
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300013196174	1	46	-2.0	-120.50	389.52	7.59	-112.91
CC(C)C1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013196175	1	34	-2.0	-115.44	300.18	5.65	-109.79
CC(C)C1=CSC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013196176	1	36	-2.0	-121.92	308.99	6.49	-115.43
CC(C)C1=CSC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013196177	1	40	-2.0	-124.00	327.69	6.35	-117.65
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)C)=CS2)C(=O)[O-])C=C1	REAL300013196178	1	44	-2.0	-117.99	380.63	5.87	-112.12
CC(C)C1=CSC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300013196179	1	44	-2.0	-128.26	349.96	8.54	-119.72
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300013196180	1	44	-2.0	-118.04	371.28	7.53	-110.51
CC(C)C1=CSC([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013196181	1	44	-2.0	-121.36	371.71	6.61	-114.75
CC(C)C1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=N1	REAL300013196182	1	40	-2.0	-113.28	365.51	6.59	-106.69
CC(C)CCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196183	1	42	-2.0	-113.53	353.43	5.71	-107.82
CC(C)C1=CSC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300013196184	1	41	-2.0	-126.33	341.88	7.09	-119.24
CC(C)C1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013196185	1	41	-2.0	-113.85	346.94	3.59	-110.26
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)C)=CS2)C1	REAL300013196186	1	38	-2.0	-116.96	337.01	6.72	-110.24
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300013196187	1	41	-2.0	-123.02	328.48	6.34	-116.68
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013196188	1	38	-2.0	-121.64	315.63	5.44	-116.20
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300013196189	1	41	-2.0	-121.08	336.87	5.81	-115.27
CC(C)C1=CSC([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=N1	REAL300013196190	1	47	-2.0	-127.20	370.21	8.08	-119.12
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013196191	1	40	-2.0	-116.44	329.30	5.17	-111.27
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196192	1	37	-2.0	-115.87	323.12	2.82	-113.05
CC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013196193	1	40	-2.0	-116.54	352.16	8.70	-107.84
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300013196194	1	47	-2.0	-121.33	403.48	9.06	-112.27
CC(C)C1=CSC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013196195	1	40	-2.0	-125.12	333.99	6.43	-118.69
CC(C)C1=CSC([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=N1	REAL300013196196	1	41	-2.0	-117.92	354.87	8.90	-109.02
CC(C)C1=CSC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300013196197	1	37	-2.0	-116.48	317.06	7.12	-109.36
CC(C)C1=CSC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013196198	1	34	-2.0	-117.52	305.42	5.69	-111.83
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013196199	1	40	-2.0	-112.43	357.71	6.73	-105.70
CC(C)C1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013196200	1	37	-2.0	-112.69	342.37	5.51	-107.18
CC(C)C1=CSC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300013196201	1	37	-2.0	-110.24	322.92	6.22	-104.02
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=N1	REAL300013196202	1	41	-2.0	-119.29	356.08	6.24	-113.05
CC(C)C1=CSC([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=N1	REAL300013196203	1	45	-2.0	-120.57	380.98	7.95	-112.62
CC(C)C1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013196204	1	37	-2.0	-112.69	342.37	5.51	-107.18
CC(C)C1=CSC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013196205	1	41	-2.0	-125.69	332.02	6.95	-118.74
CC(C)C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013196206	1	38	-2.0	-117.76	340.30	2.80	-114.96
COCCCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196207	1	40	-2.0	-113.90	348.28	3.42	-110.48
CCOCC(NC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013196208	1	37	-2.0	-116.08	326.82	2.80	-113.28
CC(C)C1=CSC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300013196209	1	42	-2.0	-114.70	343.95	5.99	-108.71
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300013196210	1	41	-2.0	-118.63	343.88	4.14	-114.49
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300013196211	1	37	-2.0	-116.27	350.61	6.26	-110.01
CC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013196212	1	41	-2.0	-123.37	348.63	6.87	-116.50
CC(C)C1=CSC([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=N1	REAL300013196213	1	38	-2.0	-121.38	316.88	5.11	-116.27
CC(C)C1=CSC([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=N1	REAL300013196214	1	40	-2.0	-106.48	336.41	6.77	-99.71
CC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=N1	REAL300013196215	1	51	-2.0	-122.93	384.08	7.70	-115.23
CC(C)C1=CSC([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013196216	1	43	-2.0	-117.59	376.86	6.95	-110.64
CC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1	REAL300013196217	1	37	-2.0	-116.26	333.85	6.84	-109.42
CC(C)C1=CSC([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=N1	REAL300013196218	1	48	-2.0	-127.64	368.27	7.45	-120.19
CC(C)C1=CSC([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300013196219	1	39	-2.0	-111.34	363.29	5.22	-106.12
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)C)=CS2)C1	REAL300013196220	1	41	-2.0	-122.84	348.85	5.51	-117.33
COCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196221	1	41	-2.0	-127.25	371.33	6.70	-120.55
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196222	1	44	-2.0	-116.08	393.44	8.69	-107.39
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196223	1	43	-2.0	-120.63	385.13	10.46	-110.17
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CC1	REAL300013196224	1	38	-2.0	-120.69	354.25	9.54	-111.15
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CCOC1	REAL300013196225	1	39	-2.0	-123.14	354.60	5.56	-117.58
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196226	1	42	-2.0	-125.58	395.57	6.87	-118.71
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196227	1	42	-2.0	-141.08	369.31	7.94	-133.14
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196228	1	41	-2.0	-120.90	378.95	8.24	-112.66
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)C(C(=O)[O-])C1	REAL300013196229	1	44	-2.0	-136.84	382.47	11.11	-125.73
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196230	1	40	-2.0	-122.79	365.97	7.64	-115.15
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196231	1	41	-2.0	-136.20	361.55	10.49	-125.71
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196232	1	39	-2.0	-128.54	361.63	10.54	-118.00
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CCCCC1	REAL300013196233	1	44	-2.0	-129.23	378.47	9.25	-119.98
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196234	1	38	-2.0	-129.88	349.56	9.09	-120.79
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CCCC1	REAL300013196235	1	41	-2.0	-128.84	363.93	8.15	-120.69
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196236	1	31	-2.0	-105.39	306.33	5.24	-100.15
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196237	1	37	-2.0	-121.28	348.71	7.14	-114.14
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196238	1	40	-2.0	-122.79	365.97	7.64	-115.15
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196239	1	34	-2.0	-118.17	327.18	8.21	-109.96
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196240	1	35	-2.0	-124.99	338.56	2.92	-122.07
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196241	1	35	-2.0	-124.99	338.56	2.92	-122.07
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196242	1	34	-2.0	-106.57	327.12	6.06	-100.51
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196243	1	43	-2.0	-124.09	378.90	8.11	-115.98
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196244	1	34	-2.0	-118.17	327.18	8.21	-109.96
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196245	1	41	-2.0	-136.20	361.55	10.49	-125.71
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196246	1	43	-2.0	-124.92	374.58	8.15	-116.77
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196247	1	40	-2.0	-120.24	359.22	9.53	-110.71
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CC1	REAL300013196248	1	38	-2.0	-120.69	354.25	9.54	-111.15
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196249	1	38	-2.0	-119.59	361.79	9.75	-109.84
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196250	1	43	-2.0	-120.63	385.13	10.46	-110.17
CC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196251	1	37	-2.0	-103.40	339.70	6.47	-96.93
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)(C(=O)[O-])C1CC1	REAL300013196252	1	41	-2.0	-126.67	363.19	8.12	-118.55
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CCCCC1	REAL300013196253	1	44	-2.0	-129.23	378.47	9.25	-119.98
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196254	1	40	-2.0	-120.24	359.22	9.53	-110.71
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196255	1	40	-2.0	-119.44	370.47	9.95	-109.49
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196256	1	37	-2.0	-119.28	348.98	9.19	-110.09
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196257	1	35	-2.0	-124.68	338.07	2.91	-121.77
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196258	1	43	-2.0	-123.96	380.19	8.05	-115.91
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196259	1	34	-2.0	-106.57	327.12	6.06	-100.51
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CCCC1	REAL300013196260	1	41	-2.0	-128.84	363.93	8.15	-120.69
CCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196261	1	40	-2.0	-124.24	353.09	7.41	-116.83
C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196262	1	34	-2.0	-106.72	327.43	6.02	-100.70
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196263	1	37	-2.0	-119.28	348.98	9.19	-110.09
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196264	1	39	-2.0	-131.50	360.82	5.71	-125.79
C[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196265	1	34	-2.0	-106.79	327.43	6.02	-100.77
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CC1	REAL300013196266	1	35	-2.0	-128.27	333.28	7.22	-121.05
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196267	1	39	-2.0	-129.87	352.67	8.10	-121.77
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CC1	REAL300013196268	1	38	-2.0	-123.99	353.19	7.56	-116.43
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196269	1	41	-2.0	-120.33	380.35	8.36	-111.97
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196270	1	38	-2.0	-131.18	351.64	8.73	-122.45
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196271	1	41	-2.0	-136.34	361.61	10.51	-125.83
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196272	1	39	-2.0	-128.42	360.87	5.71	-122.71
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196273	1	37	-2.0	-112.35	341.57	8.32	-104.03
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196274	1	38	-2.0	-130.40	350.38	8.82	-121.58
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CCC1	REAL300013196275	1	38	-2.0	-128.87	350.10	7.74	-121.13
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196276	1	38	-2.0	-121.36	361.99	7.60	-113.76
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196277	1	41	-2.0	-129.31	366.70	9.65	-119.66
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196278	1	44	-2.0	-135.39	376.42	11.30	-124.09
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CC1	REAL300013196279	1	38	-2.0	-123.99	353.19	7.56	-116.43
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196280	1	37	-2.0	-112.37	342.09	8.43	-103.94
CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196281	1	43	-2.0	-122.13	391.71	8.69	-113.44
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196282	1	41	-2.0	-130.44	363.80	9.50	-120.94
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CCCC1	REAL300013196283	1	44	-2.0	-120.10	385.33	10.76	-109.34
COCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196284	1	38	-2.0	-124.09	360.81	5.32	-118.77
CCCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196285	1	46	-2.0	-122.26	413.45	9.41	-112.85
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196286	1	43	-2.0	-123.61	378.11	8.20	-115.41
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1(C(=O)[O-])CCCC1	REAL300013196287	1	44	-2.0	-133.35	377.86	10.33	-123.02
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CC1	REAL300013196288	1	41	-2.0	-112.43	366.71	10.88	-101.55
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CC1	REAL300013196289	1	44	-2.0	-116.83	383.77	11.10	-105.73
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196290	1	40	-2.0	-119.44	370.47	9.95	-109.49
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CCC1	REAL300013196291	1	44	-2.0	-112.20	382.99	10.33	-101.87
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(CC)C(=O)[O-]	REAL300013196292	1	46	-2.0	-114.63	396.72	10.89	-103.74
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196293	1	31	-2.0	-105.39	306.33	5.24	-100.15
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196294	1	43	-2.0	-123.09	387.61	8.42	-114.67
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CCOCC1	REAL300013196295	1	42	-2.0	-124.91	369.87	6.76	-118.15
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196296	1	41	-2.0	-121.77	383.02	8.47	-113.30
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196297	1	34	-2.0	-106.19	331.05	6.06	-100.13
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196298	1	43	-2.0	-126.29	369.48	8.31	-117.98
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196299	1	44	-2.0	-129.00	388.01	7.60	-121.40
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196300	1	41	-2.0	-122.93	381.07	8.50	-114.43
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196301	1	41	-2.0	-119.78	382.63	6.15	-113.63
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196302	1	37	-2.0	-116.11	361.06	7.43	-108.68
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196303	1	37	-2.0	-116.32	355.30	7.28	-109.04
CC(CCF)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196304	1	40	-2.0	-118.95	359.67	7.56	-111.39
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196305	1	37	-2.0	-112.20	342.09	8.43	-103.77
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196306	1	39	-2.0	-134.43	355.90	9.67	-124.76
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196307	1	43	-2.0	-123.61	378.11	8.20	-115.41
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196308	1	41	-2.0	-121.34	379.48	8.62	-112.72
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196309	1	42	-2.0	-134.09	369.45	10.42	-123.67
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196310	1	39	-2.0	-129.49	361.59	5.42	-124.07
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196311	1	38	-2.0	-124.33	356.06	9.19	-115.14
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)C1	REAL300013196312	1	39	-2.0	-130.98	362.77	9.54	-121.44
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196313	1	43	-2.0	-123.09	387.61	8.42	-114.67
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196314	1	41	-2.0	-122.93	381.07	8.50	-114.43
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196315	1	38	-2.0	-120.58	355.71	4.19	-116.39
CSCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196316	1	38	-2.0	-121.94	372.41	7.50	-114.44
COC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196317	1	38	-2.0	-123.89	360.32	5.31	-118.58
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196318	1	37	-2.0	-121.15	348.95	7.08	-114.07
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196319	1	46	-2.0	-123.39	405.65	9.10	-114.29
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196320	1	44	-2.0	-122.03	404.52	9.25	-112.78
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196321	1	39	-2.0	-128.54	361.63	10.54	-118.00
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196322	1	38	-2.0	-131.18	351.64	8.73	-122.45
CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196323	1	40	-2.0	-122.05	370.45	7.85	-114.20
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196324	1	40	-2.0	-122.67	360.40	7.49	-115.18
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196325	1	42	-2.0	-138.64	368.79	10.67	-127.97
CCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(C)(C)C(=O)[O-]	REAL300013196326	1	43	-2.0	-127.02	374.72	10.11	-116.91
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(C)C(=O)[O-]	REAL300013196327	1	43	-2.0	-114.00	379.72	9.95	-104.05
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196328	1	40	-2.0	-121.94	370.21	7.91	-114.03
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196329	1	42	-2.0	-132.07	373.62	10.12	-121.95
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(C)(C)C(=O)[O-]	REAL300013196330	1	40	-2.0	-125.85	356.23	9.24	-116.61
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196331	1	38	-2.0	-130.40	350.38	8.82	-121.58
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196333	1	46	-2.0	-123.39	405.65	9.10	-114.29
C#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196334	1	36	-2.0	-121.19	355.22	7.50	-113.69
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196335	1	37	-2.0	-112.37	342.09	8.43	-103.94
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196336	1	44	-2.0	-123.73	401.45	8.99	-114.74
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196337	1	46	-2.0	-116.41	401.79	10.93	-105.48
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196339	1	41	-2.0	-121.77	383.02	8.47	-113.30
CC#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196340	1	39	-2.0	-123.15	376.81	8.51	-114.64
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196341	1	41	-2.0	-129.58	366.64	9.64	-119.94
CC(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196342	1	40	-2.0	-121.63	363.13	7.63	-114.00
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196343	1	37	-2.0	-112.20	342.09	8.43	-103.77
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196344	1	40	-2.0	-121.78	370.45	7.84	-113.94
CCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(C)C(=O)[O-]	REAL300013196345	1	40	-2.0	-113.51	358.23	9.12	-104.39
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CCCC1	REAL300013196346	1	44	-2.0	-120.10	385.33	10.76	-109.34
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196347	1	43	-2.0	-123.96	380.19	8.05	-115.91
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196348	1	40	-2.0	-113.66	361.49	9.37	-104.29
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CC(CO)C1	REAL300013196349	1	42	-2.0	-131.46	382.36	5.03	-126.43
CC1CCC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)(C(=O)[O-])C1	REAL300013196350	1	44	-2.0	-130.28	383.99	8.75	-121.53
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196351	1	41	-2.0	-119.78	382.63	6.15	-113.63
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)(C(=O)[O-])C1	REAL300013196352	1	44	-2.0	-130.80	386.51	9.44	-121.36
CC1(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)C(=O)[O-])CC1	REAL300013196353	1	41	-2.0	-125.67	370.41	8.42	-117.25
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196354	1	39	-2.0	-138.64	358.92	5.46	-133.18
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CCOC1	REAL300013196355	1	42	-2.0	-122.07	375.72	6.12	-115.95
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196356	1	42	-2.0	-135.13	369.18	10.10	-125.03
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(CC3=CC=CC=C3Cl)S1)C2	REAL300013196357	1	40	-2.0	-129.37	362.90	7.95	-121.42
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)C1	REAL300013196358	1	44	-2.0	-136.84	382.39	11.07	-125.77
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1(C(=O)[O-])CC1	REAL300013196359	1	38	-2.0	-125.49	356.58	8.95	-116.54
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CCC1	REAL300013196360	1	41	-2.0	-124.82	375.72	8.13	-116.69
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CCC1	REAL300013196361	1	41	-2.0	-124.82	375.72	8.13	-116.69
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)C1C(=O)[O-]	REAL300013196362	1	41	-2.0	-130.91	363.29	9.64	-121.27
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196363	1	38	-2.0	-121.36	361.99	7.60	-113.76
COC1CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)(C(=O)[O-])C1	REAL300013196364	1	42	-2.0	-125.33	381.66	6.61	-118.72
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)(C(=O)[O-])C1	REAL300013196365	1	42	-2.0	-125.36	381.90	6.59	-118.77
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196366	1	44	-2.0	-131.67	379.92	10.86	-120.81
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)COC1	REAL300013196367	1	36	-2.0	-120.20	340.90	4.77	-115.43
CC(C)C(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196368	1	43	-2.0	-125.47	369.81	8.08	-117.39
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196369	1	39	-2.0	-135.48	356.97	10.22	-125.26
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196370	1	42	-2.0	-135.46	369.98	9.57	-125.89
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196371	1	43	-2.0	-114.27	375.27	10.08	-104.19
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196372	1	38	-2.0	-124.33	356.06	9.19	-115.14
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196373	1	40	-2.0	-127.09	365.35	9.93	-117.16
CC1(C)CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)C1C(=O)[O-]	REAL300013196374	1	44	-2.0	-133.74	383.51	9.87	-123.87
CC(C)CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196375	1	46	-2.0	-122.53	409.27	9.20	-113.33
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196376	1	38	-2.0	-116.81	352.91	3.61	-113.20
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196377	1	35	-2.0	-124.68	338.07	2.91	-121.77
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CCC2CC21	REAL300013196378	1	42	-2.0	-130.23	372.58	8.75	-121.48
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C1CCCC1	REAL300013196379	1	44	-2.0	-125.80	385.14	8.60	-117.20
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196380	1	41	-2.0	-124.57	378.95	6.32	-118.25
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196381	1	41	-2.0	-130.44	360.23	8.12	-122.32
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)C1	REAL300013196382	1	44	-2.0	-130.59	390.61	9.90	-120.69
COCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196383	1	44	-2.0	-123.01	404.12	6.92	-116.09
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196384	1	43	-2.0	-114.29	384.03	10.29	-104.00
CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196385	1	41	-2.0	-124.88	382.66	6.30	-118.58
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196386	1	46	-2.0	-123.67	399.53	9.55	-114.12
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)[C@@H]1C(=O)[O-]	REAL300013196387	1	42	-2.0	-131.87	372.67	8.67	-123.20
N#CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196388	1	38	-2.0	-115.40	369.81	7.59	-107.81
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013196389	1	37	-2.0	-112.35	341.57	8.32	-104.03
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300013196390	1	31	-2.0	-102.55	315.97	5.53	-97.02
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300013196391	1	37	-2.0	-118.43	358.59	7.36	-111.07
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300013196392	1	34	-2.0	-115.14	336.82	8.49	-106.65
CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300013196393	1	34	-2.0	-103.59	336.76	6.36	-97.23
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300013196394	1	34	-2.0	-115.14	336.82	8.49	-106.65
CC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300013196395	1	37	-2.0	-100.32	349.33	6.75	-93.57
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300013196396	1	37	-2.0	-116.17	358.63	9.48	-106.69
CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300013196397	1	34	-2.0	-103.59	336.76	6.36	-97.23
C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300013196398	1	34	-2.0	-103.69	336.76	6.36	-97.33
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300013196399	1	37	-2.0	-116.17	358.63	9.48	-106.69
C[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300013196400	1	34	-2.0	-103.78	337.07	6.31	-97.47
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(Br)C=C3)S2)CC1	REAL300013196401	1	35	-2.0	-125.65	342.90	7.51	-118.14
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300013196402	1	37	-2.0	-109.33	351.22	8.61	-100.72
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300013196403	1	37	-2.0	-109.31	351.22	8.61	-100.70
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300013196404	1	31	-2.0	-102.55	315.97	5.53	-97.02
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300013196405	1	37	-2.0	-110.27	350.79	8.73	-101.54
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300013196406	1	37	-2.0	-118.73	358.59	7.36	-111.37
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300013196407	1	37	-2.0	-109.31	351.22	8.61	-100.70
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300013196408	1	37	-2.0	-110.27	350.79	8.73	-101.54
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1	REAL300013196409	1	37	-2.0	-109.33	351.22	8.61	-100.72
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C1CC1	REAL300013196410	1	41	-2.0	-117.62	381.32	10.20	-107.42
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196411	1	41	-2.0	-127.44	376.63	9.76	-117.68
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196412	1	34	-2.0	-102.61	333.41	5.91	-96.70
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C(=O)[O-]	REAL300013196413	1	40	-2.0	-118.38	376.03	7.75	-110.63
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196414	1	37	-2.0	-115.04	354.27	8.87	-106.17
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196415	1	38	-2.0	-121.86	365.49	3.63	-118.23
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196416	1	38	-2.0	-121.86	365.49	3.63	-118.23
CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C(=O)[O-]	REAL300013196417	1	37	-2.0	-103.60	354.19	6.73	-96.87
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196418	1	37	-2.0	-115.04	354.27	8.87	-106.17
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C1CC1	REAL300013196419	1	41	-2.0	-117.62	381.32	10.20	-107.42
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196420	1	41	-2.0	-116.01	388.87	10.42	-105.59
CC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C(=O)[O-]	REAL300013196421	1	40	-2.0	-100.39	366.77	7.13	-93.26
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196422	1	40	-2.0	-116.12	376.06	9.85	-106.27
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196423	1	38	-2.0	-122.27	365.15	3.58	-118.69
CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C(=O)[O-]	REAL300013196424	1	37	-2.0	-103.60	354.19	6.73	-96.87
C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C(=O)[O-]	REAL300013196425	1	37	-2.0	-104.01	354.51	6.69	-97.32
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196426	1	40	-2.0	-116.12	376.06	9.85	-106.27
C[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C(=O)[O-]	REAL300013196427	1	37	-2.0	-103.60	354.20	6.73	-96.87
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(C(F)(F)F)C=C3)S2)CC1	REAL300013196428	1	38	-2.0	-125.53	360.34	7.89	-117.64
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C1CC1	REAL300013196429	1	41	-2.0	-120.91	380.27	8.22	-112.69
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196430	1	41	-2.0	-128.21	378.71	9.39	-118.82
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196431	1	40	-2.0	-109.32	368.67	8.99	-100.33
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196432	1	41	-2.0	-127.45	376.61	9.77	-117.68
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(C(F)(F)F)C=C3)S2)CCC1	REAL300013196433	1	41	-2.0	-125.71	377.18	8.40	-117.31
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C(=O)[O-]	REAL300013196434	1	41	-2.0	-118.34	389.30	8.21	-110.13
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C1CC1	REAL300013196435	1	41	-2.0	-120.91	380.27	8.22	-112.69
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196436	1	40	-2.0	-109.31	369.18	9.10	-100.21
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196437	1	34	-2.0	-102.61	333.41	5.91	-96.70
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196438	1	37	-2.0	-103.00	357.81	6.76	-96.24
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196439	1	40	-2.0	-110.29	368.23	9.11	-101.18
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C(=O)[O-]	REAL300013196440	1	40	-2.0	-118.54	375.20	7.77	-110.77
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196441	1	41	-2.0	-128.21	378.71	9.39	-118.82
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196442	1	41	-2.0	-127.45	376.61	9.77	-117.68
C#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C(=O)[O-]	REAL300013196443	1	39	-2.0	-118.14	382.29	8.16	-109.98
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196444	1	40	-2.0	-109.31	369.18	9.10	-100.21
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196445	1	40	-2.0	-110.29	368.23	9.11	-101.18
CN(C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C1(C(=O)[O-])CC1	REAL300013196446	1	41	-2.0	-123.12	383.65	9.62	-113.50
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C(=O)[O-]	REAL300013196447	1	41	-2.0	-118.34	389.30	8.21	-110.13
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196448	1	38	-2.0	-122.27	365.15	3.58	-118.69
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013196449	1	40	-2.0	-109.32	368.67	8.99	-100.33
CC1=CC(C)=NC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013196623	0	37	-2.0	-130.78	320.09	6.95	-123.83
CCC1=CC=C(C)N=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013196873	0	40	-2.0	-125.72	336.73	7.70	-118.02
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C(=O)[O-])C=C1	REAL300013196920	1	44	-2.0	-130.63	400.29	9.53	-121.10
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196921	1	37	-2.0	-116.25	358.45	7.55	-108.70
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCSCC1	REAL300013196922	1	42	-2.0	-122.80	369.95	8.61	-114.19
COCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196923	1	41	-2.0	-127.78	365.13	6.40	-121.38
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196924	1	44	-2.0	-116.84	387.85	8.46	-108.38
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196925	1	43	-2.0	-121.62	378.95	10.16	-111.46
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CC1	REAL300013196926	1	38	-2.0	-121.12	348.05	9.23	-111.89
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCOC1	REAL300013196927	1	39	-2.0	-123.62	348.39	5.25	-118.37
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCCCC1	REAL300013196928	1	47	-2.0	-127.56	396.48	8.98	-118.58
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196929	1	42	-2.0	-126.26	389.23	6.61	-119.65
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196930	1	42	-2.0	-141.42	363.11	7.63	-133.79
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196931	1	41	-2.0	-121.45	372.75	7.94	-113.51
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCOCC1	REAL300013196932	1	45	-2.0	-126.22	386.68	6.64	-119.58
COC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C(C(=O)[O-])C1	REAL300013196933	1	45	-2.0	-135.90	387.82	9.20	-126.70
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCCOC1	REAL300013196934	1	45	-2.0	-122.96	387.22	6.58	-116.38
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C(C(=O)[O-])C1	REAL300013196935	1	44	-2.0	-137.19	376.27	10.81	-126.38
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196936	1	40	-2.0	-123.19	355.44	7.11	-116.08
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196937	1	41	-2.0	-136.55	355.35	10.19	-126.36
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196938	1	39	-2.0	-128.85	355.43	10.23	-118.62
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCCCC1	REAL300013196939	1	44	-2.0	-129.73	372.26	8.94	-120.79
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196940	1	38	-2.0	-130.34	343.36	8.79	-121.55
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCCC1	REAL300013196941	1	41	-2.0	-129.21	357.75	7.85	-121.36
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCCCCC1	REAL300013196942	1	47	-2.0	-130.52	377.92	9.61	-120.91
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196943	1	44	-2.0	-124.09	400.30	9.81	-114.28
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196944	1	44	-2.0	-123.62	401.79	11.89	-111.73
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196945	1	31	-2.0	-105.94	300.13	4.94	-101.00
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1=CC=CC=C1	REAL300013196946	1	41	-2.0	-130.53	378.92	8.84	-121.69
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1=CC=CC=C1	REAL300013196947	1	41	-2.0	-130.21	378.66	8.93	-121.28
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196948	1	37	-2.0	-121.86	342.75	6.78	-115.08
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196949	1	40	-2.0	-123.19	355.44	7.11	-116.08
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196950	1	34	-2.0	-118.72	320.98	7.90	-110.82
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196951	1	35	-2.0	-125.45	332.35	2.61	-122.84
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196952	1	35	-2.0	-125.45	332.35	2.61	-122.84
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196953	1	44	-2.0	-124.09	400.30	9.81	-114.28
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196954	1	34	-2.0	-107.14	320.92	5.75	-101.39
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196955	1	43	-2.0	-124.51	372.70	7.81	-116.70
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196956	1	34	-2.0	-118.72	320.98	7.90	-110.82
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196957	1	41	-2.0	-136.55	355.35	10.19	-126.36
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196958	1	43	-2.0	-125.37	368.38	7.85	-117.52
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196959	1	40	-2.0	-120.79	353.02	9.22	-111.57
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CC1	REAL300013196960	1	38	-2.0	-121.12	348.05	9.23	-111.89
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196961	1	38	-2.0	-120.51	355.61	9.45	-111.06
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196962	1	43	-2.0	-121.62	378.95	10.16	-111.46
CC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196963	1	37	-2.0	-104.03	333.49	6.16	-97.87
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)(C(=O)[O-])C1CC1	REAL300013196964	1	41	-2.0	-127.14	356.99	7.81	-119.33
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1=CC=CS1	REAL300013196965	1	38	-2.0	-127.26	370.30	8.01	-119.25
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCCCC1	REAL300013196966	1	44	-2.0	-129.73	372.26	8.94	-120.79
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196967	1	40	-2.0	-120.79	353.02	9.22	-111.57
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196968	1	40	-2.0	-120.41	364.29	9.64	-110.77
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196969	1	37	-2.0	-119.75	342.79	8.89	-110.86
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196970	1	35	-2.0	-125.19	332.35	2.62	-122.57
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196971	1	43	-2.0	-124.38	373.99	7.75	-116.63
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196972	1	34	-2.0	-107.14	320.92	5.75	-101.39
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCCC1	REAL300013196973	1	41	-2.0	-129.21	357.75	7.85	-121.36
CCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196974	1	40	-2.0	-124.68	346.88	7.10	-117.58
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013196975	1	44	-2.0	-131.90	387.01	9.60	-122.30
C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196976	1	34	-2.0	-107.33	321.23	5.72	-101.61
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196977	1	37	-2.0	-119.75	342.79	8.89	-110.86
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196978	1	39	-2.0	-131.84	354.57	5.41	-126.43
C[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196979	1	34	-2.0	-107.38	321.22	5.72	-101.66
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013196980	1	35	-2.0	-128.65	327.08	6.91	-121.74
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196981	1	39	-2.0	-130.19	346.47	7.80	-122.39
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1(C(=O)[O-])CCCCC1	REAL300013196982	1	47	-2.0	-129.39	383.68	10.67	-118.72
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CC1	REAL300013196983	1	38	-2.0	-124.88	349.14	7.27	-117.61
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013196984	1	44	-2.0	-122.80	388.61	10.78	-112.02
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196985	1	41	-2.0	-121.41	374.17	8.06	-113.35
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196986	1	38	-2.0	-131.60	345.43	8.42	-123.18
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196987	1	41	-2.0	-136.68	355.40	10.21	-126.47
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196988	1	39	-2.0	-131.05	353.76	5.36	-125.69
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196989	1	37	-2.0	-112.88	335.38	8.02	-104.86
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196990	1	38	-2.0	-130.85	344.17	8.52	-122.33
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCC1	REAL300013196991	1	38	-2.0	-129.23	343.90	7.43	-121.80
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196992	1	38	-2.0	-121.81	355.79	7.29	-114.52
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196993	1	41	-2.0	-129.79	360.50	9.35	-120.44
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196994	1	44	-2.0	-135.88	370.21	11.00	-124.88
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CC1	REAL300013196995	1	38	-2.0	-124.88	349.14	7.27	-117.61
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196996	1	37	-2.0	-112.98	335.88	8.13	-104.85
CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013196997	1	43	-2.0	-122.70	385.75	8.33	-114.37
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013196998	1	41	-2.0	-132.00	359.39	9.29	-122.71
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1(C(=O)[O-])CCCCC1	REAL300013196999	1	47	-2.0	-129.39	383.68	10.67	-118.72
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCCC1	REAL300013197000	1	44	-2.0	-121.19	379.13	10.46	-110.73
COCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197001	1	38	-2.0	-124.59	354.60	5.02	-119.57
CCCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197002	1	46	-2.0	-122.72	407.25	9.11	-113.61
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197003	1	43	-2.0	-124.82	373.54	7.89	-116.93
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCOCC1	REAL300013197004	1	45	-2.0	-121.19	387.57	8.79	-112.40
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1(C(=O)[O-])CCCC1	REAL300013197005	1	44	-2.0	-133.84	371.65	10.02	-123.82
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CC1	REAL300013197006	1	41	-2.0	-112.96	360.51	10.58	-102.38
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CC1	REAL300013197007	1	44	-2.0	-117.47	377.57	10.80	-106.67
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197008	1	40	-2.0	-120.41	364.29	9.64	-110.77
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CC1	REAL300013197009	1	45	-2.0	-115.51	390.37	10.18	-105.33
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCC1	REAL300013197010	1	44	-2.0	-113.30	376.61	9.96	-103.34
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(COC)C(=O)[O-]	REAL300013197011	1	47	-2.0	-119.50	402.31	9.19	-110.31
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(CC)C(=O)[O-]	REAL300013197012	1	46	-2.0	-115.75	390.56	10.50	-105.25
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197013	1	31	-2.0	-105.94	300.13	4.94	-101.00
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197014	1	43	-2.0	-123.60	381.40	8.12	-115.48
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCOCC1	REAL300013197015	1	42	-2.0	-125.40	363.69	6.46	-118.94
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197016	1	41	-2.0	-122.38	377.06	8.11	-114.27
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197017	1	34	-2.0	-106.53	324.53	5.79	-100.74
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197018	1	43	-2.0	-126.76	363.27	8.00	-118.76
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197019	1	44	-2.0	-129.44	381.80	7.29	-122.15
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197020	1	41	-2.0	-123.30	374.87	8.20	-115.10
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197021	1	41	-2.0	-120.20	376.18	5.90	-114.30
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197022	1	37	-2.0	-116.57	354.86	7.12	-109.45
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197023	1	37	-2.0	-116.84	349.10	6.98	-109.86
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCOCC1	REAL300013197024	1	45	-2.0	-121.19	387.57	8.79	-112.40
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCCCC1	REAL300013197025	1	47	-2.0	-122.77	396.53	11.17	-111.60
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)(C(=O)[O-])CC1	REAL300013197026	1	47	-2.0	-130.90	386.06	9.33	-121.57
CC(CCF)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197027	1	40	-2.0	-119.46	353.47	7.25	-112.21
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197028	1	37	-2.0	-112.72	335.38	8.02	-104.70
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197029	1	39	-2.0	-134.77	349.69	9.37	-125.40
COC1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C(C)(C(=O)[O-])C1	REAL300013197030	1	45	-2.0	-129.16	393.66	8.30	-120.86
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197031	1	43	-2.0	-124.82	373.54	7.89	-116.93
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197032	1	38	-2.0	-119.79	371.00	7.96	-111.83
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197033	1	41	-2.0	-121.74	374.10	8.15	-113.59
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197034	1	42	-2.0	-134.51	363.24	10.11	-124.40
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197035	1	39	-2.0	-129.95	355.39	5.12	-124.83
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197036	1	38	-2.0	-119.75	356.31	8.95	-110.80
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197037	1	38	-2.0	-124.76	349.82	8.88	-115.88
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013197038	1	39	-2.0	-131.40	356.57	9.24	-122.16
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197039	1	43	-2.0	-123.60	381.40	8.12	-115.48
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCOCC1	REAL300013197040	1	45	-2.0	-126.22	386.68	6.64	-119.58
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1=CC=CC=C1	REAL300013197041	1	41	-2.0	-130.21	378.66	8.93	-121.28
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197042	1	41	-2.0	-123.30	374.87	8.20	-115.10
CC(C)CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197043	1	49	-2.0	-123.11	424.57	9.67	-113.44
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197044	1	45	-2.0	-129.89	398.70	7.22	-122.67
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197045	1	38	-2.0	-120.97	349.50	3.89	-117.08
CSCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197046	1	38	-2.0	-122.39	366.21	7.19	-115.20
COC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197047	1	38	-2.0	-124.36	354.12	5.01	-119.35
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197048	1	37	-2.0	-121.64	342.75	6.77	-114.87
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197049	1	46	-2.0	-124.04	399.68	8.74	-115.30
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197050	1	44	-2.0	-122.58	398.56	8.89	-113.69
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197051	1	39	-2.0	-128.85	355.43	10.23	-118.62
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013197052	1	44	-2.0	-131.90	387.01	9.60	-122.30
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197053	1	38	-2.0	-131.60	345.43	8.42	-123.18
CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197054	1	40	-2.0	-122.44	364.25	7.55	-114.89
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197055	1	40	-2.0	-122.73	357.87	7.38	-115.35
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197056	1	42	-2.0	-140.39	364.42	10.47	-129.92
CCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(C)(C)C(=O)[O-]	REAL300013197057	1	43	-2.0	-127.58	368.52	9.80	-117.78
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(C)C(=O)[O-]	REAL300013197058	1	43	-2.0	-114.87	373.51	9.64	-105.23
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197059	1	40	-2.0	-122.45	364.25	7.54	-114.91
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197060	1	42	-2.0	-133.36	367.45	9.82	-123.54
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1=CC=CC=C1	REAL300013197061	1	41	-2.0	-130.53	378.92	8.84	-121.69
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(C)(C)C(=O)[O-]	REAL300013197062	1	40	-2.0	-126.37	350.03	8.93	-117.44
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197063	1	38	-2.0	-130.85	344.17	8.52	-122.33
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197066	1	46	-2.0	-124.04	399.68	8.74	-115.30
C#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197067	1	36	-2.0	-121.69	349.02	7.19	-114.50
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197068	1	37	-2.0	-112.98	335.88	8.13	-104.85
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197069	1	44	-2.0	-124.16	395.01	8.74	-115.42
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197070	1	47	-2.0	-117.45	407.51	9.14	-108.31
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197071	1	46	-2.0	-117.01	395.59	10.62	-106.39
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1=CC=CC=N1	REAL300013197072	1	40	-2.0	-133.41	375.29	7.27	-126.14
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197073	1	47	-2.0	-133.12	397.95	11.16	-121.96
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1=CC=CN=C1	REAL300013197075	1	40	-2.0	-126.64	373.57	7.13	-119.51
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197076	1	45	-2.0	-131.21	389.36	9.56	-121.65
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197077	1	41	-2.0	-122.38	377.06	8.11	-114.27
CC#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197078	1	39	-2.0	-123.63	370.60	8.21	-115.42
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1=O	REAL300013197079	1	42	-2.0	-125.13	371.85	8.16	-116.97
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197080	1	41	-2.0	-130.17	360.43	9.34	-120.83
CC(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197081	1	40	-2.0	-122.06	356.92	7.33	-114.73
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1=CC=CC=C1	REAL300013197082	1	41	-2.0	-130.40	378.88	8.85	-121.55
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197083	1	37	-2.0	-112.72	335.38	8.02	-104.70
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197084	1	40	-2.0	-122.07	363.41	7.56	-114.51
CCN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(C)C(=O)[O-]	REAL300013197085	1	40	-2.0	-114.08	352.04	8.81	-105.27
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCCC1	REAL300013197086	1	44	-2.0	-121.19	379.13	10.46	-110.73
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197087	1	43	-2.0	-124.38	373.99	7.75	-116.63
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197088	1	40	-2.0	-114.24	355.25	9.22	-105.02
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC(CO)C1	REAL300013197089	1	42	-2.0	-131.91	376.15	4.72	-127.19
CC1CCC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)(C(=O)[O-])C1	REAL300013197090	1	44	-2.0	-130.75	377.79	8.45	-122.30
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197091	1	47	-2.0	-132.68	386.62	9.07	-123.61
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197092	1	41	-2.0	-120.20	376.18	5.90	-114.30
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)(C(=O)[O-])C1	REAL300013197093	1	44	-2.0	-131.22	380.30	9.13	-122.09
CC1(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C(=O)[O-])CC1	REAL300013197094	1	41	-2.0	-126.13	364.20	8.12	-118.01
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197095	1	39	-2.0	-140.07	354.53	5.26	-134.81
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCOC1	REAL300013197096	1	42	-2.0	-122.57	369.52	5.81	-116.76
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197097	1	42	-2.0	-136.73	364.78	9.90	-126.83
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(CC3=CC=CC=C3F)S1)C2	REAL300013197098	1	40	-2.0	-129.77	356.70	7.64	-122.13
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013197099	1	44	-2.0	-137.12	376.19	10.76	-126.36
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1(C(=O)[O-])CC1	REAL300013197100	1	38	-2.0	-125.89	350.37	8.65	-117.24
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCC1	REAL300013197101	1	41	-2.0	-124.76	367.61	7.83	-116.93
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCCCC1	REAL300013197102	1	47	-2.0	-127.56	396.48	8.98	-118.58
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCC1	REAL300013197103	1	41	-2.0	-124.76	367.61	7.83	-116.93
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1C(=O)[O-]	REAL300013197104	1	41	-2.0	-131.32	357.09	9.34	-121.98
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197105	1	38	-2.0	-121.81	355.79	7.29	-114.52
COC1CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)(C(=O)[O-])C1	REAL300013197106	1	42	-2.0	-125.84	375.46	6.31	-119.53
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC(F)(F)C1	REAL300013197107	1	38	-2.0	-122.54	352.47	7.46	-115.08
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)(C(=O)[O-])C1	REAL300013197108	1	42	-2.0	-131.93	375.99	6.70	-125.23
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197109	1	44	-2.0	-132.09	373.72	10.55	-121.54
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197110	1	37	-2.0	-116.25	358.45	7.55	-108.70
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197111	1	45	-2.0	-123.35	396.56	6.78	-116.57
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)COC1	REAL300013197112	1	36	-2.0	-120.68	334.70	4.47	-116.21
CC(C)C(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197113	1	43	-2.0	-125.76	361.82	7.72	-118.04
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197114	1	39	-2.0	-135.90	350.75	9.92	-125.98
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197115	1	42	-2.0	-136.89	365.59	9.37	-127.52
C=CCSCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197116	1	42	-2.0	-123.14	400.48	8.65	-114.49
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197117	1	43	-2.0	-114.89	369.06	9.77	-105.12
COC1(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C(=O)[O-])CCC1	REAL300013197118	1	45	-2.0	-123.74	390.34	6.45	-117.29
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC(C(F)F)C1	REAL300013197119	1	41	-2.0	-125.36	373.98	8.16	-117.20
O=C([O-])C1CC(NC(=O)NC2=NC=C(CC3=CC=CC=C3F)S2)(C(=O)[O-])C1	REAL300013197120	0	41	-2.0	-127.87	376.00	9.22	-118.65
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)(C(=O)[O-])C1	REAL300013197120	1	40	-3.0	-203.74	371.38	7.91	-195.83
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197121	1	38	-2.0	-124.76	349.82	8.88	-115.88
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197122	1	40	-2.0	-128.33	359.18	9.62	-118.71
CC1(C)CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1C(=O)[O-]	REAL300013197123	1	44	-2.0	-134.25	377.31	9.57	-124.68
CC(C)CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197124	1	46	-2.0	-123.21	403.31	8.84	-114.37
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197125	1	45	-2.0	-133.32	392.99	10.33	-122.99
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197126	1	45	-2.0	-123.35	396.56	6.78	-116.57
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013197127	1	42	-2.0	-126.68	386.63	9.96	-116.72
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197128	1	38	-2.0	-117.79	348.66	3.42	-114.37
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197129	1	35	-2.0	-125.19	332.35	2.62	-122.57
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCCC2CC21	REAL300013197130	1	45	-2.0	-131.17	380.59	9.32	-121.85
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCC2CC21	REAL300013197131	1	42	-2.0	-130.79	366.38	8.45	-122.34
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC2(CCC2)C1	REAL300013197132	1	45	-2.0	-131.25	386.50	9.05	-122.20
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCCC1	REAL300013197133	1	44	-2.0	-126.25	378.95	8.30	-117.95
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197134	1	41	-2.0	-124.99	372.25	6.00	-118.99
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197135	1	41	-2.0	-132.03	355.81	7.92	-124.11
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197136	1	44	-2.0	-123.62	401.79	11.89	-111.73
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013197137	1	44	-2.0	-131.74	384.41	9.60	-122.14
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197138	1	41	-2.0	-127.26	366.67	10.39	-116.87
O=C([O-])C1N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCC1(F)F	REAL300013197139	1	38	-2.0	-127.11	355.02	8.92	-118.19
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197140	1	41	-2.0	-123.65	372.93	9.56	-114.09
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197141	1	45	-2.0	-138.13	380.78	10.15	-127.98
COCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197142	1	44	-2.0	-123.41	397.92	6.62	-116.79
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197143	1	43	-2.0	-114.85	377.83	9.98	-104.87
CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197144	1	41	-2.0	-125.42	376.46	5.99	-119.43
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197145	1	46	-2.0	-124.28	393.57	9.18	-115.10
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CCCCO1	REAL300013197146	1	45	-2.0	-128.33	391.48	6.93	-121.40
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)[C@@H]1C(=O)[O-]	REAL300013197147	1	42	-2.0	-132.19	366.44	8.36	-123.83
N#CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197148	1	38	-2.0	-115.91	363.60	7.28	-108.63
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197149	1	41	-2.0	-121.24	383.45	10.03	-111.21
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013197150	1	37	-2.0	-112.88	335.38	8.02	-104.86
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013197151	1	45	-2.0	-132.70	398.48	8.74	-123.96
COCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197152	1	44	-2.0	-126.89	386.40	7.06	-119.83
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300013197153	1	47	-2.0	-115.07	408.51	9.05	-106.02
CC1=CC=C(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S2)C=C1F	REAL300013197154	1	46	-2.0	-116.91	399.97	10.62	-106.29
CC1=CC=C(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CC3)S2)C=C1F	REAL300013197155	1	41	-2.0	-120.21	369.31	9.91	-110.30
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCOC3)S2)C=C1F	REAL300013197156	1	42	-2.0	-123.29	369.66	5.93	-117.36
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197157	1	45	-2.0	-124.91	410.63	7.25	-117.66
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCC(O)C3C(=O)[O-])S2)C=C1F	REAL300013197158	1	45	-2.0	-141.93	387.41	7.53	-134.40
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197159	1	44	-2.0	-120.90	395.55	8.60	-112.30
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C)CC3C(=O)[O-])S2)C=C1F	REAL300013197160	1	47	-2.0	-137.56	397.54	11.49	-126.07
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S2)C=C1F	REAL300013197161	1	43	-2.0	-121.53	378.18	8.00	-113.53
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCCC3C(=O)[O-])S2)C=C1F	REAL300013197162	1	44	-2.0	-137.04	376.62	10.86	-126.18
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCSCC3C(=O)[O-])S2)C=C1F	REAL300013197163	1	42	-2.0	-129.50	376.70	10.91	-118.59
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCCC3)S2)C=C1F	REAL300013197164	1	47	-2.0	-129.37	393.53	9.62	-119.75
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCC3C(=O)[O-])S2)C=C1F	REAL300013197165	1	41	-2.0	-130.10	364.63	9.46	-120.64
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCC3)S2)C=C1F	REAL300013197166	1	44	-2.0	-128.57	379.02	8.52	-120.05
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(=O)[O-])S2)C=C1F	REAL300013197167	1	34	-2.0	-104.45	321.40	5.62	-98.83
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)S2)C=C1F	REAL300013197168	1	44	-2.0	-129.30	399.95	9.60	-119.70
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3)S2)C=C1F	REAL300013197169	1	44	-2.0	-129.71	400.17	9.53	-120.18
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197170	1	40	-2.0	-120.86	364.02	7.46	-113.40
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S2)C=C1F	REAL300013197171	1	43	-2.0	-121.53	378.18	8.00	-113.53
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)CC(=O)[O-])S2)C=C1F	REAL300013197172	1	37	-2.0	-117.55	342.25	8.58	-108.97
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(CO)C(=O)[O-])S2)C=C1F	REAL300013197173	1	38	-2.0	-124.32	353.49	3.33	-120.99
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(CO)C(=O)[O-])S2)C=C1F	REAL300013197174	1	38	-2.0	-124.32	353.49	3.33	-120.99
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C)C(=O)[O-])S2)C=C1F	REAL300013197175	1	37	-2.0	-105.67	342.50	6.39	-99.28
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197176	1	46	-2.0	-123.44	393.96	8.48	-114.96
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)CC(=O)[O-])S2)C=C1F	REAL300013197177	1	37	-2.0	-117.55	342.25	8.58	-108.97
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCCC3C(=O)[O-])S2)C=C1F	REAL300013197178	1	44	-2.0	-137.04	376.62	10.86	-126.18
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197179	1	46	-2.0	-125.02	389.65	8.54	-116.48
CC1=CC=C(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S2)C=C1F	REAL300013197180	1	43	-2.0	-119.67	374.29	9.90	-109.77
CC1=CC=C(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CC3)S2)C=C1F	REAL300013197181	1	41	-2.0	-120.21	369.31	9.91	-110.30
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300013197182	1	41	-2.0	-117.49	376.87	10.12	-107.37
CC1=CC=C(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S2)C=C1F	REAL300013197183	1	46	-2.0	-116.91	399.97	10.62	-106.29
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C)(C)C(=O)[O-])S2)C=C1F	REAL300013197184	1	40	-2.0	-102.11	354.76	6.84	-95.27
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C3CC3)S2)C=C1F	REAL300013197185	1	44	-2.0	-126.75	378.27	8.48	-118.27
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCCC3)S2)C=C1F	REAL300013197186	1	47	-2.0	-129.37	393.53	9.62	-119.75
CC1=CC=C(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S2)C=C1F	REAL300013197187	1	43	-2.0	-119.67	374.29	9.90	-109.77
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300013197188	1	43	-2.0	-117.28	385.56	10.32	-106.96
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300013197189	1	40	-2.0	-118.61	364.06	9.56	-109.05
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S2)C=C1F	REAL300013197190	1	38	-2.0	-124.53	353.14	3.28	-121.25
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197191	1	46	-2.0	-123.45	393.60	8.41	-115.04
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C)C(=O)[O-])S2)C=C1F	REAL300013197192	1	37	-2.0	-105.67	342.50	6.39	-99.28
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCC3)S2)C=C1F	REAL300013197193	1	44	-2.0	-128.57	379.02	8.52	-120.05
CCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197194	1	43	-2.0	-123.77	368.15	7.78	-115.99
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@@H](C)C(=O)[O-])S2)C=C1F	REAL300013197195	1	37	-2.0	-105.45	342.02	6.46	-98.99
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300013197196	1	40	-2.0	-118.61	364.06	9.56	-109.05
CC1=CC=C(CC2=CN=C([N-]C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])S2)C=C1F	REAL300013197197	1	42	-2.0	-131.31	375.89	6.08	-125.23
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H](C)C(=O)[O-])S2)C=C1F	REAL300013197198	1	37	-2.0	-105.67	342.49	6.39	-99.28
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC3)S2)C=C1F	REAL300013197199	1	38	-2.0	-128.56	348.33	7.59	-120.97
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCOCC3C(=O)[O-])S2)C=C1F	REAL300013197200	1	42	-2.0	-130.51	367.74	8.47	-122.04
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CC3)S2)C=C1F	REAL300013197201	1	41	-2.0	-123.39	368.25	7.93	-115.46
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300013197202	1	44	-2.0	-118.08	395.44	8.74	-109.34
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@@H]3C(=O)[O-])S2)C=C1F	REAL300013197203	1	41	-2.0	-131.02	366.71	9.10	-121.92
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCC[C@@H]3C(=O)[O-])S2)C=C1F	REAL300013197204	1	44	-2.0	-134.75	376.56	10.94	-123.81
CC1=CC=C(CC2=CN=C([N-]C(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])S2)C=C1F	REAL300013197205	1	42	-2.0	-127.92	376.61	5.81	-122.11
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S2)C=C1F	REAL300013197206	1	40	-2.0	-111.57	357.16	8.80	-102.77
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@H]3C(=O)[O-])S2)C=C1F	REAL300013197207	1	41	-2.0	-130.10	364.60	9.48	-120.62
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCC3)S2)C=C1F	REAL300013197208	1	41	-2.0	-128.67	365.17	8.11	-120.56
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197209	1	41	-2.0	-120.84	377.29	7.90	-112.94
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCC3(C)C(=O)[O-])S2)C=C1F	REAL300013197210	1	44	-2.0	-129.47	381.77	10.03	-119.44
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCCCC3C(=O)[O-])S2)C=C1F	REAL300013197211	1	47	-2.0	-135.24	391.64	11.52	-123.72
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CC3)S2)C=C1F	REAL300013197212	1	41	-2.0	-123.39	368.25	7.93	-115.46
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)C(C)C(=O)[O-])S2)C=C1F	REAL300013197213	1	40	-2.0	-111.55	357.16	8.80	-102.75
CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197214	1	46	-2.0	-121.52	407.01	9.00	-112.52
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@@]3(C)C(=O)[O-])S2)C=C1F	REAL300013197215	1	44	-2.0	-129.50	381.69	10.01	-119.49
CC1=CC=C(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CCCC3)S2)C=C1F	REAL300013197216	1	47	-2.0	-117.76	400.40	11.13	-106.63
COCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197217	1	41	-2.0	-123.45	375.74	5.74	-117.71
CCCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197218	1	49	-2.0	-121.63	428.51	9.78	-111.85
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S2)C=C1F	REAL300013197219	1	46	-2.0	-123.52	393.20	8.58	-114.94
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)C3(C(=O)[O-])CCCC3)S2)C=C1F	REAL300013197220	1	47	-2.0	-130.39	391.59	10.39	-120.00
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C(C)C(=O)[O-])C3CC3)S2)C=C1F	REAL300013197221	1	44	-2.0	-111.93	381.78	11.26	-100.67
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C1CC1	REAL300013197222	1	47	-2.0	-116.25	398.57	11.31	-104.94
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300013197223	1	43	-2.0	-117.28	385.56	10.32	-106.96
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C(C)C(=O)[O-])C3CCC3)S2)C=C1F	REAL300013197224	1	47	-2.0	-110.25	397.88	10.64	-99.61
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(CC)C(=O)[O-]	REAL300013197225	1	49	-2.0	-114.36	412.34	11.28	-103.08
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(=O)[O-])S2)C=C1F	REAL300013197226	1	34	-2.0	-104.45	321.40	5.62	-98.83
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S2)C=C1F	REAL300013197227	1	46	-2.0	-122.94	402.67	8.81	-114.13
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCOCC3)S2)C=C1F	REAL300013197228	1	45	-2.0	-124.49	384.96	7.13	-117.36
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197229	1	44	-2.0	-121.26	398.33	8.78	-112.48
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(CF)C(=O)[O-])S2)C=C1F	REAL300013197230	1	37	-2.0	-104.92	345.81	6.46	-98.46
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197231	1	46	-2.0	-125.74	384.53	8.68	-117.06
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197232	1	47	-2.0	-129.21	403.07	7.97	-121.24
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(CC3CC3)C(=O)[O-])S2)C=C1F	REAL300013197233	1	44	-2.0	-122.64	395.62	9.01	-113.63
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197234	1	44	-2.0	-119.08	397.45	6.58	-112.50
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S2)C=C1F	REAL300013197235	1	40	-2.0	-115.86	374.65	7.98	-107.88
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(CCF)C(=O)[O-])S2)C=C1F	REAL300013197236	1	40	-2.0	-115.80	370.61	7.60	-108.20
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S2)C=C1F	REAL300013197237	1	43	-2.0	-118.43	374.74	7.92	-110.51
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S2)C=C1F	REAL300013197238	1	40	-2.0	-112.25	356.09	8.75	-103.50
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC4CC3(C(=O)[O-])C4)S2)C=C1F	REAL300013197239	1	42	-2.0	-134.94	370.96	10.05	-124.89
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S2)C=C1F	REAL300013197240	1	46	-2.0	-123.52	393.20	8.58	-114.94
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197241	1	41	-2.0	-118.57	392.49	8.57	-110.00
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197242	1	44	-2.0	-120.89	396.92	8.82	-112.07
CC1=CC=C(CC2=CN=C([N-]C(=O)N3C4CCC3(C(=O)[O-])CC4)S2)C=C1F	REAL300013197243	1	45	-2.0	-134.57	384.51	10.79	-123.78
CC1=CC=C(CC2=CN=C([N-]C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])S2)C=C1F	REAL300013197244	1	42	-2.0	-129.20	376.67	5.80	-123.40
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])S2)C=C1F	REAL300013197245	1	41	-2.0	-119.42	377.58	9.62	-109.80
CC1=CC=C(CC2=CN=C([N-]C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])S2)C=C1F	REAL300013197246	1	41	-2.0	-124.50	371.09	9.56	-114.94
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=C(C)C(F)=C3)S2)C1	REAL300013197247	1	42	-2.0	-131.18	377.84	9.91	-121.27
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S2)C=C1F	REAL300013197248	1	46	-2.0	-122.94	402.67	8.81	-114.13
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3)S2)C=C1F	REAL300013197249	1	44	-2.0	-129.71	400.17	9.53	-120.18
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(CC3CC3)C(=O)[O-])S2)C=C1F	REAL300013197250	1	44	-2.0	-122.64	395.62	9.01	-113.63
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)S2)C=C1F	REAL300013197251	1	41	-2.0	-120.64	370.77	4.56	-116.08
CSCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197252	1	41	-2.0	-121.28	387.47	7.87	-113.41
COC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197253	1	41	-2.0	-123.64	375.39	5.69	-117.95
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197254	1	40	-2.0	-120.88	363.18	7.47	-113.41
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197255	1	49	-2.0	-122.74	420.71	9.47	-113.27
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197256	1	47	-2.0	-121.45	419.83	9.57	-111.88
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCSCC3C(=O)[O-])S2)C=C1F	REAL300013197257	1	42	-2.0	-129.50	376.70	10.91	-118.59
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@@H]3C(=O)[O-])S2)C=C1F	REAL300013197258	1	41	-2.0	-131.02	366.71	9.10	-121.92
CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197259	1	43	-2.0	-121.40	385.52	8.22	-113.18
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)S2)C=C1F	REAL300013197260	1	43	-2.0	-122.08	375.46	7.86	-114.22
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])S2)C=C1F	REAL300013197261	1	45	-2.0	-135.59	387.32	11.13	-124.46
CCN(C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(C)(C)C(=O)[O-]	REAL300013197262	1	46	-2.0	-126.58	389.79	10.48	-116.10
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(C)C(=O)[O-]	REAL300013197263	1	46	-2.0	-112.31	394.78	10.32	-101.99
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197264	1	43	-2.0	-121.41	385.51	8.21	-113.20
CC1=CC=C(CC2=CN=C([N-]C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])S2)C=C1F	REAL300013197265	1	45	-2.0	-128.91	388.72	10.49	-118.42
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)S2)C=C1F	REAL300013197266	1	44	-2.0	-129.30	399.95	9.60	-119.70
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)C(C)(C)C(=O)[O-])S2)C=C1F	REAL300013197267	1	43	-2.0	-125.44	371.30	9.61	-115.83
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@H]3C(=O)[O-])S2)C=C1F	REAL300013197268	1	41	-2.0	-130.10	364.60	9.48	-120.62
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197270	1	49	-2.0	-122.74	420.71	9.47	-113.27
C#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197271	1	39	-2.0	-120.57	370.04	7.92	-112.65
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)C(C)C(=O)[O-])S2)C=C1F	REAL300013197272	1	40	-2.0	-111.55	357.16	8.80	-102.75
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197273	1	47	-2.0	-123.00	416.66	9.35	-113.65
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])S2)C=C1F	REAL300013197274	1	49	-2.0	-113.52	414.96	11.12	-102.40
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197276	1	44	-2.0	-121.26	398.33	8.78	-112.48
CC#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197277	1	42	-2.0	-122.60	392.11	8.82	-113.78
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@]3(C)C(=O)[O-])S2)C=C1F	REAL300013197278	1	44	-2.0	-129.31	381.71	10.01	-119.30
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)S2)C=C1F	REAL300013197279	1	43	-2.0	-122.69	381.05	8.02	-114.67
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)S2)C=C1F	REAL300013197280	1	44	-2.0	-129.45	399.55	9.57	-119.88
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S2)C=C1F	REAL300013197281	1	40	-2.0	-112.25	356.09	8.75	-103.50
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197282	1	43	-2.0	-121.65	385.52	8.22	-113.43
CCN(C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(C)C(=O)[O-]	REAL300013197283	1	43	-2.0	-112.70	373.84	9.59	-103.11
CC1=CC=C(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CCCC3)S2)C=C1F	REAL300013197284	1	47	-2.0	-117.76	400.40	11.13	-106.63
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197285	1	46	-2.0	-123.45	393.60	8.41	-115.04
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300013197286	1	43	-2.0	-113.16	376.55	9.74	-103.42
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC(CO)C3)S2)C=C1F	REAL300013197287	1	45	-2.0	-131.22	397.42	5.40	-125.82
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCC(C)C3)S2)C=C1F	REAL300013197288	1	47	-2.0	-129.93	399.06	9.12	-120.81
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197289	1	44	-2.0	-119.08	397.45	6.58	-112.50
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC(C)(C)C3)S2)C=C1F	REAL300013197290	1	47	-2.0	-130.65	401.57	9.81	-120.84
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3(C)CC3)S2)C=C1F	REAL300013197291	1	44	-2.0	-125.51	387.64	8.81	-116.70
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])S2)C=C1F	REAL300013197292	1	42	-2.0	-135.65	375.29	5.99	-129.66
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCOC3)S2)C=C1F	REAL300013197293	1	45	-2.0	-118.68	394.11	6.48	-112.20
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])S2)C=C1F	REAL300013197294	1	45	-2.0	-134.00	387.00	10.62	-123.38
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC4CC3(C(=O)[O-])CO4)S2)C=C1F	REAL300013197295	1	43	-2.0	-129.99	378.46	8.25	-121.74
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC(C)CCC3C(=O)[O-])S2)C=C1F	REAL300013197296	1	47	-2.0	-137.56	397.46	11.44	-126.12
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)C3(C(=O)[O-])CC3)S2)C=C1F	REAL300013197297	1	41	-2.0	-125.86	371.64	9.32	-116.54
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCC3)S2)C=C1F	REAL300013197298	1	44	-2.0	-124.09	384.15	8.34	-115.75
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCC3)S2)C=C1F	REAL300013197299	1	44	-2.0	-124.09	384.15	8.34	-115.75
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C)C3C(=O)[O-])S2)C=C1F	REAL300013197300	1	44	-2.0	-131.10	378.36	10.01	-121.09
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197301	1	41	-2.0	-120.84	377.29	7.90	-112.94
COC1CC(NC(=O)[N-]C2=NC=C(CC3=CC=C(C)C(F)=C3)S2)(C(=O)[O-])C1	REAL300013197302	1	45	-2.0	-125.54	396.73	6.98	-118.56
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC(F)(F)C3)S2)C=C1F	REAL300013197303	1	41	-2.0	-122.15	373.57	8.14	-114.01
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3=CC=C(C)C(F)=C3)S2)(C(=O)[O-])C1	REAL300013197304	1	45	-2.0	-131.40	397.09	7.37	-124.03
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300013197305	1	47	-2.0	-131.69	395.10	11.26	-120.43
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])COC3)S2)C=C1F	REAL300013197306	1	39	-2.0	-119.95	355.97	5.14	-114.81
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)S2)C=C1F	REAL300013197307	1	46	-2.0	-125.56	384.87	8.45	-117.11
CC1=CC=C(CC2=CN=C([N-]C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])S2)C=C1F	REAL300013197308	1	42	-2.0	-135.65	372.02	10.59	-125.06
CC1=CC=C(CC2=CN=C([N-]C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])S2)C=C1F	REAL300013197309	1	45	-2.0	-132.85	387.73	10.08	-122.77
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300013197310	1	46	-2.0	-113.46	390.84	10.56	-102.90
CC1=CC=C(CC2=CN=C([N-]C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])S2)C=C1F	REAL300013197311	1	41	-2.0	-124.50	371.09	9.56	-114.94
CC1=CC=C(CC2=CN=C([N-]C(=O)N3C4C=CC(C4)C3C(=O)[O-])S2)C=C1F	REAL300013197312	1	43	-2.0	-124.35	380.45	10.30	-114.05
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C)(C)C3C(=O)[O-])S2)C=C1F	REAL300013197313	1	47	-2.0	-133.59	398.58	10.25	-123.34
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(CCC(C)C)C(=O)[O-])S2)C=C1F	REAL300013197314	1	49	-2.0	-122.01	424.34	9.58	-112.43
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)S2)C=C1F	REAL300013197315	1	41	-2.0	-126.39	373.98	4.23	-122.16
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S2)C=C1F	REAL300013197316	1	38	-2.0	-124.53	353.14	3.28	-121.25
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCC4CC43)S2)C=C1F	REAL300013197317	1	45	-2.0	-129.86	387.65	9.12	-120.74
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCCC3)S2)C=C1F	REAL300013197318	1	47	-2.0	-125.07	400.18	9.04	-116.03
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197319	1	44	-2.0	-124.26	393.53	6.70	-117.56
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)S2)C=C1F	REAL300013197320	1	44	-2.0	-127.53	378.17	8.64	-118.89
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC(C)(C)CC3C(=O)[O-])S2)C=C1F	REAL300013197321	1	47	-2.0	-126.93	404.86	10.31	-116.62
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(F)(F)C3C(=O)[O-])S2)C=C1F	REAL300013197322	1	41	-2.0	-127.26	376.29	9.60	-117.66
COCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197323	1	47	-2.0	-122.15	418.95	7.35	-114.80
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300013197324	1	46	-2.0	-113.36	398.60	10.55	-102.81
CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013197325	1	44	-2.0	-124.34	397.59	6.71	-117.63
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S2)C=C1F	REAL300013197326	1	49	-2.0	-122.90	414.61	9.92	-112.98
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])S2)C=C1F	REAL300013197327	1	45	-2.0	-132.68	387.71	9.05	-123.63
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(CCC#N)C(=O)[O-])S2)C=C1F	REAL300013197328	1	41	-2.0	-114.70	384.87	7.96	-106.74
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S2)C=C1F	REAL300013197329	1	40	-2.0	-111.57	357.16	8.80	-102.77
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C(=O)[O-])C=C1	REAL300013197330	1	44	-2.0	-129.21	401.29	9.56	-119.65
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197331	1	37	-2.0	-114.53	359.39	7.58	-106.95
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCSCC1	REAL300013197332	1	42	-2.0	-121.68	370.92	8.67	-113.01
COCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197333	1	41	-2.0	-126.29	366.09	6.42	-119.87
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197334	1	44	-2.0	-114.59	388.20	8.41	-106.18
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197335	1	43	-2.0	-117.87	379.90	10.20	-107.67
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CC1	REAL300013197336	1	38	-2.0	-119.70	349.00	9.26	-110.44
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCOC1	REAL300013197337	1	39	-2.0	-122.65	349.35	5.29	-117.36
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCCCC1	REAL300013197338	1	47	-2.0	-125.97	397.44	9.02	-116.95
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197339	1	42	-2.0	-124.38	390.32	6.60	-117.78
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197340	1	42	-2.0	-141.18	364.06	7.67	-133.51
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197341	1	41	-2.0	-120.36	375.24	7.96	-112.40
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCOCC1	REAL300013197342	1	45	-2.0	-124.60	387.63	6.68	-117.92
COC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C(C(=O)[O-])C1	REAL300013197343	1	45	-2.0	-135.72	388.78	9.24	-126.48
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCCOC1	REAL300013197344	1	45	-2.0	-121.30	388.18	6.63	-114.67
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C(C(=O)[O-])C1	REAL300013197345	1	44	-2.0	-136.97	377.23	10.84	-126.13
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197346	1	40	-2.0	-120.89	357.86	7.36	-113.53
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197347	1	41	-2.0	-136.28	356.31	10.22	-126.06
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197348	1	39	-2.0	-128.78	356.38	10.27	-118.51
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCCCC1	REAL300013197349	1	44	-2.0	-128.85	373.22	8.98	-119.87
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197350	1	38	-2.0	-129.49	344.31	8.82	-120.67
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCCC1	REAL300013197351	1	41	-2.0	-127.91	358.71	7.88	-120.03
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCCCCC1	REAL300013197352	1	47	-2.0	-129.03	378.88	9.64	-119.39
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197353	1	44	-2.0	-123.05	402.08	9.82	-113.23
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197354	1	44	-2.0	-119.82	402.73	11.93	-107.89
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197355	1	31	-2.0	-103.90	301.09	4.98	-98.92
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1=CC=CC=C1	REAL300013197356	1	41	-2.0	-129.00	379.88	8.88	-120.12
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1=CC=CC=C1	REAL300013197357	1	41	-2.0	-128.78	379.64	8.96	-119.82
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197358	1	37	-2.0	-120.25	343.70	6.82	-113.43
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197359	1	40	-2.0	-120.89	357.86	7.36	-113.53
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197360	1	34	-2.0	-117.02	321.94	7.94	-109.08
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197361	1	35	-2.0	-123.73	333.17	2.69	-121.04
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197362	1	35	-2.0	-123.73	333.17	2.69	-121.04
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197363	1	44	-2.0	-123.05	402.08	9.82	-113.23
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197364	1	34	-2.0	-104.98	321.87	5.80	-99.18
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197365	1	43	-2.0	-123.22	374.35	7.79	-115.43
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197366	1	34	-2.0	-117.02	321.94	7.94	-109.08
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197367	1	41	-2.0	-136.28	356.31	10.22	-126.06
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197368	1	43	-2.0	-124.42	369.34	7.90	-116.52
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197369	1	40	-2.0	-119.09	353.98	9.26	-109.83
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CC1	REAL300013197370	1	38	-2.0	-119.70	349.00	9.26	-110.44
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197371	1	38	-2.0	-116.94	356.56	9.48	-107.46
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197372	1	43	-2.0	-117.87	379.90	10.20	-107.67
CC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197373	1	37	-2.0	-101.57	334.45	6.20	-95.37
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)(C(=O)[O-])C1CC1	REAL300013197374	1	41	-2.0	-126.13	357.95	7.84	-118.29
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1=CC=CS1	REAL300013197375	1	38	-2.0	-125.53	371.26	8.04	-117.49
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCCCC1	REAL300013197376	1	44	-2.0	-128.85	373.22	8.98	-119.87
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197377	1	40	-2.0	-119.09	353.98	9.26	-109.83
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197378	1	40	-2.0	-116.77	365.25	9.68	-107.09
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197379	1	37	-2.0	-118.11	343.75	8.92	-109.19
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197380	1	35	-2.0	-123.91	333.31	2.64	-121.27
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197381	1	43	-2.0	-122.75	373.29	7.77	-114.98
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197382	1	34	-2.0	-104.98	321.87	5.80	-99.18
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCCC1	REAL300013197383	1	41	-2.0	-127.91	358.71	7.88	-120.03
CCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197384	1	40	-2.0	-123.14	347.84	7.14	-116.00
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013197385	1	44	-2.0	-130.77	387.96	9.64	-121.13
C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197386	1	34	-2.0	-104.93	321.71	5.82	-99.11
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197387	1	37	-2.0	-118.11	343.75	8.92	-109.19
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197388	1	39	-2.0	-129.17	355.57	5.44	-123.73
C[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197389	1	34	-2.0	-105.24	322.18	5.75	-99.49
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013197390	1	35	-2.0	-127.78	328.02	6.94	-120.84
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197391	1	39	-2.0	-129.92	347.43	7.83	-122.09
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1(C(=O)[O-])CCCCC1	REAL300013197392	1	47	-2.0	-127.83	384.63	10.70	-117.13
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CC1	REAL300013197393	1	38	-2.0	-122.82	347.93	7.29	-115.53
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013197394	1	44	-2.0	-122.06	388.84	10.77	-111.29
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197395	1	41	-2.0	-117.51	375.13	8.09	-109.42
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197396	1	38	-2.0	-129.70	345.06	8.56	-121.14
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197397	1	41	-2.0	-136.21	356.35	10.23	-125.98
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197398	1	39	-2.0	-128.72	356.29	5.16	-123.56
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197399	1	37	-2.0	-111.00	336.84	8.16	-102.84
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197400	1	38	-2.0	-128.12	344.29	8.84	-119.28
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCC1	REAL300013197401	1	38	-2.0	-128.12	344.86	7.47	-120.65
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197402	1	38	-2.0	-120.09	356.74	7.33	-112.76
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197403	1	41	-2.0	-128.89	361.46	9.38	-119.51
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197404	1	44	-2.0	-135.13	371.17	11.04	-124.09
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CC1	REAL300013197405	1	38	-2.0	-122.82	347.93	7.29	-115.53
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197406	1	37	-2.0	-111.01	336.85	8.16	-102.85
CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197407	1	43	-2.0	-120.93	386.46	8.42	-112.51
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197408	1	41	-2.0	-127.58	361.37	9.37	-118.21
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1(C(=O)[O-])CCCCC1	REAL300013197409	1	47	-2.0	-127.83	384.63	10.70	-117.13
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCCC1	REAL300013197410	1	44	-2.0	-117.05	380.08	10.49	-106.56
COCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197411	1	38	-2.0	-122.85	355.56	5.05	-117.80
CCCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197412	1	46	-2.0	-121.13	408.20	9.14	-111.99
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197413	1	43	-2.0	-122.82	372.89	7.94	-114.88
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCOCC1	REAL300013197414	1	45	-2.0	-117.37	388.53	8.82	-108.55
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1(C(=O)[O-])CCCC1	REAL300013197415	1	44	-2.0	-129.79	371.27	9.75	-120.04
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CC1	REAL300013197416	1	41	-2.0	-111.47	361.47	10.62	-100.85
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CC1	REAL300013197417	1	44	-2.0	-115.87	378.55	10.83	-105.04
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197418	1	40	-2.0	-116.77	365.25	9.68	-107.09
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CC1	REAL300013197419	1	45	-2.0	-113.59	392.24	10.19	-103.40
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCC1	REAL300013197420	1	44	-2.0	-109.69	377.75	10.07	-99.62
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(COC)C(=O)[O-]	REAL300013197421	1	47	-2.0	-117.62	403.97	9.32	-108.30
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(CC)C(=O)[O-]	REAL300013197422	1	46	-2.0	-113.82	392.03	10.64	-103.18
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197423	1	31	-2.0	-103.90	301.09	4.98	-98.92
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197424	1	43	-2.0	-122.43	382.41	8.11	-114.32
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCOCC1	REAL300013197425	1	42	-2.0	-123.87	364.65	6.49	-117.38
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197426	1	41	-2.0	-120.71	378.01	8.14	-112.57
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197427	1	34	-2.0	-104.45	325.49	5.82	-98.63
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197428	1	43	-2.0	-125.45	364.51	8.03	-117.42
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197429	1	44	-2.0	-128.59	382.76	7.33	-121.26
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197430	1	41	-2.0	-122.03	375.31	8.36	-113.67
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197431	1	41	-2.0	-118.53	377.14	5.93	-112.60
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197432	1	37	-2.0	-115.12	355.81	7.16	-107.96
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197433	1	37	-2.0	-115.30	350.29	6.96	-108.34
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCOCC1	REAL300013197434	1	45	-2.0	-117.37	388.53	8.82	-108.55
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCCCC1	REAL300013197435	1	47	-2.0	-118.74	397.48	11.20	-107.54
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)(C(=O)[O-])CC1	REAL300013197436	1	47	-2.0	-129.37	387.02	9.36	-120.01
CC(CCF)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197437	1	40	-2.0	-117.84	354.43	7.28	-110.56
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197438	1	37	-2.0	-111.80	335.91	8.17	-103.63
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197439	1	39	-2.0	-134.24	350.65	9.40	-124.84
COC1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C(C)(C(=O)[O-])C1	REAL300013197440	1	45	-2.0	-128.20	394.62	8.34	-119.86
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197441	1	43	-2.0	-122.82	372.89	7.94	-114.88
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197442	1	38	-2.0	-117.94	372.17	7.93	-110.01
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197443	1	41	-2.0	-120.29	376.60	8.18	-112.11
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197444	1	42	-2.0	-133.94	364.20	10.15	-123.79
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197445	1	39	-2.0	-128.68	356.34	5.15	-123.53
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197446	1	38	-2.0	-118.79	357.26	8.99	-109.80
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197447	1	38	-2.0	-122.64	350.77	8.92	-113.72
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013197448	1	39	-2.0	-130.57	357.52	9.27	-121.30
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197449	1	43	-2.0	-122.43	382.41	8.11	-114.32
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCOCC1	REAL300013197450	1	45	-2.0	-124.60	387.63	6.68	-117.92
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1=CC=CC=C1	REAL300013197451	1	41	-2.0	-128.78	379.64	8.96	-119.82
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197452	1	41	-2.0	-122.03	375.31	8.36	-113.67
CC(C)CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197453	1	49	-2.0	-121.34	425.53	9.72	-111.62
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197454	1	45	-2.0	-128.66	399.90	7.20	-121.46
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197455	1	38	-2.0	-119.98	350.46	3.92	-116.06
CSCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197456	1	38	-2.0	-120.93	367.40	7.15	-113.78
COC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197457	1	38	-2.0	-123.07	355.56	5.05	-118.02
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197458	1	37	-2.0	-120.48	343.71	6.81	-113.67
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197459	1	46	-2.0	-122.39	400.64	8.77	-113.62
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197460	1	44	-2.0	-120.76	399.27	8.98	-111.78
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197461	1	39	-2.0	-128.78	356.38	10.27	-118.51
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013197462	1	44	-2.0	-130.77	387.96	9.64	-121.13
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197463	1	38	-2.0	-129.70	345.06	8.56	-121.14
CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197464	1	40	-2.0	-120.89	365.20	7.58	-113.31
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197465	1	40	-2.0	-121.85	360.74	7.39	-114.46
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197466	1	42	-2.0	-134.71	366.22	10.54	-124.17
CCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(C)(C)C(=O)[O-]	REAL300013197467	1	43	-2.0	-126.01	369.48	9.84	-116.17
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(C)C(=O)[O-]	REAL300013197468	1	43	-2.0	-112.02	374.98	9.79	-102.23
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197469	1	40	-2.0	-120.70	364.96	7.64	-113.06
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197470	1	42	-2.0	-128.31	368.41	9.85	-118.46
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1=CC=CC=C1	REAL300013197471	1	41	-2.0	-129.00	379.88	8.88	-120.12
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(C)(C)C(=O)[O-]	REAL300013197472	1	40	-2.0	-124.90	350.99	8.97	-115.93
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197473	1	38	-2.0	-128.12	344.29	8.84	-119.28
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197476	1	46	-2.0	-122.39	400.64	8.77	-113.62
C#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197477	1	36	-2.0	-120.06	349.97	7.22	-112.84
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197478	1	37	-2.0	-111.01	336.85	8.16	-102.85
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197479	1	44	-2.0	-122.35	395.96	8.78	-113.57
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197480	1	47	-2.0	-115.58	409.09	9.25	-106.33
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197481	1	46	-2.0	-113.03	394.64	10.48	-102.55
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1=CC=CC=N1	REAL300013197482	1	40	-2.0	-131.95	376.24	7.31	-124.64
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197483	1	47	-2.0	-131.74	398.85	11.30	-120.44
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1=CC=CN=C1	REAL300013197485	1	40	-2.0	-124.71	374.52	7.17	-117.54
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197486	1	45	-2.0	-129.52	389.87	9.60	-119.92
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197487	1	41	-2.0	-120.71	378.01	8.14	-112.57
CC#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197488	1	39	-2.0	-122.14	371.80	8.17	-113.97
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1=O	REAL300013197489	1	42	-2.0	-124.22	372.80	8.19	-116.03
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197490	1	41	-2.0	-127.48	361.39	9.37	-118.11
CC(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197491	1	40	-2.0	-122.10	360.74	7.38	-114.72
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1=CC=CC=C1	REAL300013197492	1	41	-2.0	-128.76	379.23	8.93	-119.83
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197493	1	37	-2.0	-111.80	335.91	8.17	-103.63
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197494	1	40	-2.0	-120.85	364.37	7.60	-113.25
CCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(C)C(=O)[O-]	REAL300013197495	1	40	-2.0	-112.09	353.02	8.85	-103.24
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCCC1	REAL300013197496	1	44	-2.0	-117.05	380.08	10.49	-106.56
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197497	1	43	-2.0	-122.75	373.29	7.77	-114.98
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197498	1	40	-2.0	-112.61	356.24	9.10	-103.51
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC(CO)C1	REAL300013197499	1	42	-2.0	-130.68	377.11	4.76	-125.92
CC1CCC(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)(C(=O)[O-])C1	REAL300013197500	1	44	-2.0	-129.37	378.75	8.48	-120.89
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197501	1	47	-2.0	-131.81	387.57	9.11	-122.70
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197502	1	41	-2.0	-118.53	377.14	5.93	-112.60
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)(C(=O)[O-])C1	REAL300013197503	1	44	-2.0	-130.04	381.26	9.18	-120.86
CC1(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C(=O)[O-])CC1	REAL300013197504	1	41	-2.0	-124.52	365.16	8.15	-116.37
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197505	1	39	-2.0	-135.45	356.34	5.33	-130.12
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCOC1	REAL300013197506	1	42	-2.0	-119.23	370.88	5.82	-113.41
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197507	1	42	-2.0	-131.76	366.38	9.96	-121.80
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(CC3=CC=CC(F)=C3)S1)C2	REAL300013197508	1	40	-2.0	-129.38	358.15	7.61	-121.77
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013197509	1	44	-2.0	-136.85	377.15	10.80	-126.05
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1(C(=O)[O-])CC1	REAL300013197510	1	38	-2.0	-125.23	351.33	8.68	-116.55
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCC1	REAL300013197511	1	41	-2.0	-123.09	368.57	7.86	-115.23
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCCCC1	REAL300013197512	1	47	-2.0	-125.97	397.44	9.02	-116.95
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCC1	REAL300013197513	1	41	-2.0	-123.09	368.57	7.86	-115.23
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1C(=O)[O-]	REAL300013197514	1	41	-2.0	-130.52	358.05	9.37	-121.15
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197515	1	38	-2.0	-120.09	356.74	7.33	-112.76
COC1CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)(C(=O)[O-])C1	REAL300013197516	1	42	-2.0	-124.97	376.42	6.34	-118.63
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC(F)(F)C1	REAL300013197517	1	38	-2.0	-121.50	353.26	7.50	-114.00
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)(C(=O)[O-])C1	REAL300013197518	1	42	-2.0	-130.84	376.78	6.73	-124.11
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197519	1	44	-2.0	-131.02	374.79	10.62	-120.40
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197520	1	37	-2.0	-114.53	359.39	7.58	-106.95
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197521	1	45	-2.0	-121.92	397.51	6.82	-115.10
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)COC1	REAL300013197522	1	36	-2.0	-119.31	335.66	4.50	-114.81
CC(C)C(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197523	1	43	-2.0	-124.82	362.77	7.75	-117.07
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197524	1	39	-2.0	-133.27	351.62	10.00	-123.27
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197525	1	42	-2.0	-132.23	367.41	9.44	-122.79
C=CCSCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197526	1	42	-2.0	-121.58	401.68	8.62	-112.96
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197527	1	43	-2.0	-112.85	370.02	9.81	-103.04
COC1(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C(=O)[O-])CCC1	REAL300013197528	1	45	-2.0	-122.37	390.64	6.44	-115.93
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC(C(F)F)C1	REAL300013197529	1	41	-2.0	-123.91	374.94	8.19	-115.72
O=C([O-])C1CC(NC(=O)NC2=NC=C(CC3=CC=CC(F)=C3)S2)(C(=O)[O-])C1	REAL300013197530	0	41	-2.0	-130.50	376.96	9.27	-121.23
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)(C(=O)[O-])C1	REAL300013197530	1	40	-3.0	-202.54	372.34	7.95	-194.59
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197531	1	38	-2.0	-122.64	350.77	8.92	-113.72
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197532	1	40	-2.0	-123.66	360.14	9.66	-114.00
CC1(C)CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1C(=O)[O-]	REAL300013197533	1	44	-2.0	-132.96	378.27	9.61	-123.35
CC(C)CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197534	1	46	-2.0	-121.50	404.27	8.88	-112.62
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197535	1	45	-2.0	-127.12	391.60	10.37	-116.75
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197536	1	45	-2.0	-121.92	397.51	6.82	-115.10
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013197537	1	42	-2.0	-125.91	387.59	10.00	-115.91
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197538	1	38	-2.0	-125.80	353.67	3.57	-122.23
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197539	1	35	-2.0	-123.91	333.31	2.64	-121.27
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCCC2CC21	REAL300013197540	1	45	-2.0	-131.89	379.05	9.62	-122.27
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCC2CC21	REAL300013197541	1	42	-2.0	-129.25	367.34	8.48	-120.77
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC2(CCC2)C1	REAL300013197542	1	45	-2.0	-129.96	387.45	9.08	-120.88
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCCC1	REAL300013197543	1	44	-2.0	-124.68	379.91	8.34	-116.34
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197544	1	41	-2.0	-123.62	373.22	6.06	-117.56
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197545	1	41	-2.0	-128.13	360.42	8.13	-120.00
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197546	1	44	-2.0	-119.82	402.73	11.93	-107.89
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013197547	1	44	-2.0	-126.34	384.56	9.67	-116.67
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197548	1	41	-2.0	-127.17	367.63	10.42	-116.75
O=C([O-])C1N(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCC1(F)F	REAL300013197549	1	38	-2.0	-126.63	355.98	8.96	-117.67
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197550	1	41	-2.0	-118.09	373.49	9.49	-108.60
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197551	1	45	-2.0	-133.33	382.59	10.22	-123.11
COCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197552	1	44	-2.0	-121.71	398.87	6.65	-115.06
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197553	1	43	-2.0	-112.85	378.28	9.91	-102.94
CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197554	1	41	-2.0	-123.67	377.42	6.03	-117.64
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197555	1	46	-2.0	-122.57	394.54	9.23	-113.34
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CCCCO1	REAL300013197556	1	45	-2.0	-127.47	394.19	6.96	-120.51
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)[C@@H]1C(=O)[O-]	REAL300013197557	1	42	-2.0	-129.93	367.39	8.40	-121.53
N#CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197558	1	38	-2.0	-114.20	364.56	7.32	-106.88
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197559	1	41	-2.0	-119.52	384.41	10.07	-109.45
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013197560	1	37	-2.0	-111.00	336.84	8.16	-102.84
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013197561	1	45	-2.0	-123.95	398.65	8.85	-115.10
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197562	1	37	-2.0	-108.06	333.96	5.63	-102.43
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300013197563	1	34	-2.0	-108.32	324.86	8.20	-100.12
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])C=C1	REAL300013197564	1	31	-2.0	-112.69	311.17	5.19	-107.50
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197565	1	24	-2.0	-99.68	269.58	3.14	-96.54
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCSCC1	REAL300013197566	1	29	-2.0	-112.35	282.88	4.70	-107.65
COCC(C)(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197567	1	28	-2.0	-110.18	276.01	2.00	-108.18
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197568	1	31	-2.0	-100.82	298.74	4.12	-96.70
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300013197569	1	30	-2.0	-106.40	289.82	5.82	-100.58
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300013197570	1	37	-2.0	-106.47	335.06	8.21	-98.26
O=C([O-])CN(C(=O)[N-]C1=NC=C(Br)S1)C1CC1	REAL300013197571	1	25	-2.0	-110.68	260.98	5.32	-105.36
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197572	1	27	-2.0	-100.73	293.30	5.68	-95.05
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCOC1	REAL300013197573	1	26	-2.0	-106.50	259.27	0.86	-105.64
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CCCCC1	REAL300013197574	1	34	-2.0	-107.64	309.46	4.86	-102.78
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=C(O)C=C1	REAL300013197575	1	29	-2.0	-109.63	300.80	1.64	-107.99
CN(C(=O)[N-]C1=NC=C(Br)S1)C(COC1CCC1)C(=O)[O-]	REAL300013197576	1	35	-2.0	-102.12	325.90	5.52	-96.60
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197577	1	35	-2.0	-119.61	329.07	8.78	-110.83
C=CCOCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197578	1	29	-2.0	-109.02	300.24	2.23	-106.79
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197579	1	29	-2.0	-130.97	276.05	3.72	-127.25
C=CC(C)C(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197580	1	28	-2.0	-104.83	285.15	3.57	-101.26
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CCOCC1	REAL300013197581	1	32	-2.0	-109.03	298.12	2.23	-106.80
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=C(F)C(F)=C1	REAL300013197582	1	28	-2.0	-102.98	302.51	4.62	-98.36
COC1CCN(C(=O)[N-]C2=NC=C(Br)S2)C(C(=O)[O-])C1	REAL300013197583	1	32	-2.0	-116.88	298.70	4.78	-112.10
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CCCOC1	REAL300013197584	1	32	-2.0	-105.59	298.10	2.24	-103.35
CC1CCN(C(=O)[N-]C2=NC=C(Br)S2)C(C(=O)[O-])C1	REAL300013197585	1	31	-2.0	-127.03	282.48	6.66	-120.37
CC1=CC(C(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])=CC=C1F	REAL300013197586	1	31	-2.0	-105.82	316.50	5.20	-100.62
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=C2OCCC2=C1	REAL300013197587	1	33	-2.0	-111.04	325.70	4.35	-106.69
CC1=CC(C(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])=CC(C)=C1	REAL300013197588	1	34	-2.0	-114.27	331.98	5.87	-108.40
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])C=C1C	REAL300013197589	1	34	-2.0	-114.24	327.98	5.79	-108.45
CC(C)C(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197590	1	27	-2.0	-105.83	265.07	2.84	-102.99
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197591	1	28	-2.0	-126.17	268.13	6.32	-119.85
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=C(Cl)C=C1	REAL300013197592	1	28	-2.0	-105.87	306.25	5.11	-100.76
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197593	1	26	-2.0	-110.23	266.31	5.81	-104.42
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCCCC1	REAL300013197594	1	31	-2.0	-118.94	285.20	5.03	-113.91
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197595	1	25	-2.0	-112.63	254.24	4.41	-108.22
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCCC1	REAL300013197596	1	28	-2.0	-111.32	268.63	3.45	-107.87
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCCCCC1	REAL300013197597	1	34	-2.0	-112.43	288.80	5.21	-107.22
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197598	1	31	-2.0	-107.01	312.01	5.44	-101.57
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197599	1	31	-2.0	-108.04	312.65	7.55	-100.49
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=CC=C1	REAL300013197600	1	28	-2.0	-112.47	289.80	4.50	-107.97
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=CC=C1	REAL300013197601	1	28	-2.0	-112.50	289.76	4.51	-107.99
CCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197602	1	24	-2.0	-104.70	253.63	2.44	-102.26
CC(C)C(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197603	1	27	-2.0	-105.83	265.07	2.84	-102.99
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197604	1	22	-2.0	-108.47	243.10	-1.68	-110.15
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197605	1	22	-2.0	-108.47	243.10	-1.68	-110.15
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197606	1	31	-2.0	-107.01	312.01	5.44	-101.57
CCC(C)C(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197607	1	30	-2.0	-106.96	283.56	3.46	-103.50
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197608	1	28	-2.0	-126.17	268.13	6.32	-119.85
CCCC(C)(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197609	1	30	-2.0	-108.05	279.27	3.48	-104.57
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300013197610	1	27	-2.0	-104.03	263.98	4.88	-99.15
O=C([O-])CN(C(=O)[N-]C1=NC=C(Br)S1)C1CC1	REAL300013197611	1	25	-2.0	-110.68	260.98	5.32	-105.36
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300013197612	1	25	-2.0	-105.52	266.48	5.11	-100.41
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300013197613	1	30	-2.0	-106.40	289.82	5.82	-100.58
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197614	1	32	-2.0	-127.80	306.27	8.36	-119.44
CC(C)(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197615	1	24	-2.0	-89.75	244.37	1.81	-87.94
CC(NC(=O)[N-]C1=NC=C(Br)S1)(C(=O)[O-])C1CC1	REAL300013197616	1	28	-2.0	-109.65	267.87	3.42	-106.23
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=CS1	REAL300013197617	1	25	-2.0	-109.58	281.43	3.59	-105.99
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCCCC1	REAL300013197618	1	31	-2.0	-118.94	285.20	5.03	-113.91
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300013197619	1	27	-2.0	-104.03	263.98	4.88	-99.15
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300013197620	1	27	-2.0	-105.42	275.17	5.30	-100.12
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300013197621	1	24	-2.0	-103.06	253.67	4.54	-98.52
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197622	1	22	-2.0	-108.49	243.10	-1.68	-110.17
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197623	1	30	-2.0	-106.94	284.15	3.45	-103.49
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCCC1	REAL300013197624	1	28	-2.0	-111.32	268.63	3.45	-107.87
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197625	1	31	-2.0	-102.91	319.08	7.62	-95.29
CCC(C)(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197626	1	27	-2.0	-107.19	257.77	2.72	-104.47
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CC2=CC=CC=C2C1	REAL300013197627	1	32	-2.0	-122.52	309.80	6.09	-116.43
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC(F)=CC=C1F	REAL300013197628	1	28	-2.0	-110.96	300.41	4.72	-106.24
CC(NC(=O)[N-]C1=NC=C(Br)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013197629	1	31	-2.0	-113.99	297.89	5.22	-108.77
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300013197630	1	24	-2.0	-103.06	253.67	4.54	-98.52
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197631	1	39	-2.0	-108.79	343.76	5.81	-102.98
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197632	1	26	-2.0	-120.94	267.55	1.49	-119.45
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CC1	REAL300013197633	1	22	-2.0	-110.81	237.95	2.52	-108.29
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=C(Cl)C=C1	REAL300013197634	1	28	-2.0	-105.87	306.25	5.11	-100.76
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197635	1	26	-2.0	-119.96	259.45	3.89	-116.07
CN(C(=O)[N-]C1=NC=C(Br)S1)C1(C(=O)[O-])CCCCC1	REAL300013197636	1	34	-2.0	-111.72	294.55	6.30	-105.42
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CC1	REAL300013197637	1	25	-2.0	-107.05	257.85	2.91	-104.14
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197638	1	34	-2.0	-108.05	335.08	8.33	-99.72
CN(C(=O)[N-]C1=NC=C(Br)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013197639	1	31	-2.0	-106.51	299.34	6.49	-100.02
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300013197640	1	28	-2.0	-106.70	285.05	3.72	-102.98
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCC2=CC=CC=C21	REAL300013197641	1	32	-2.0	-118.80	304.48	5.48	-113.32
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197642	1	25	-2.0	-120.21	257.04	4.61	-115.60
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197643	1	28	-2.0	-126.12	268.33	6.29	-119.83
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197644	1	26	-2.0	-111.84	265.47	1.03	-110.81
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197645	1	24	-2.0	-97.43	245.72	3.64	-93.79
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197646	1	25	-2.0	-120.26	257.10	4.61	-115.65
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCC1	REAL300013197647	1	25	-2.0	-118.57	256.84	3.52	-115.05
C=CCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197648	1	25	-2.0	-104.80	266.91	2.89	-101.91
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197649	1	28	-2.0	-112.57	271.38	4.96	-107.61
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197650	1	31	-2.0	-124.74	283.30	6.93	-117.81
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CC1	REAL300013197651	1	25	-2.0	-107.05	257.85	2.91	-104.14
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197652	1	24	-2.0	-96.81	246.26	3.68	-93.13
CCCCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197653	1	30	-2.0	-105.21	296.39	4.04	-101.17
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=CC(O)=C1	REAL300013197654	1	29	-2.0	-111.52	300.59	1.72	-109.80
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197655	1	34	-2.0	-108.05	335.08	8.33	-99.72
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197656	1	28	-2.0	-112.53	271.31	4.96	-107.57
CN(C(=O)[N-]C1=NC=C(Br)S1)C1(C(=O)[O-])CCCCC1	REAL300013197657	1	34	-2.0	-111.72	294.55	6.30	-105.42
O=C([O-])CN(C(=O)[N-]C1=NC=C(Br)S1)C1CCCC1	REAL300013197658	1	31	-2.0	-106.61	290.99	6.19	-100.42
COCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197659	1	25	-2.0	-107.58	265.48	0.68	-106.90
CCCCCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197660	1	33	-2.0	-105.20	317.89	4.82	-100.38
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197661	1	30	-2.0	-106.71	282.81	3.56	-103.15
CCC1CCC(NC(=O)[N-]C2=NC=C(Br)S2)(C(=O)[O-])CC1	REAL300013197662	1	37	-2.0	-112.13	322.21	5.81	-106.32
O=C([O-])CN(C(=O)[N-]C1=NC=C(Br)S1)C1CCOCC1	REAL300013197663	1	32	-2.0	-106.49	298.45	4.44	-102.05
CN(C(=O)[N-]C1=NC=C(Br)S1)C1(C(=O)[O-])CCCC1	REAL300013197664	1	31	-2.0	-113.31	281.20	5.35	-107.96
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(Br)S1)C1CC1	REAL300013197665	1	28	-2.0	-104.41	266.75	5.19	-99.22
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(Br)S1)C1CC1	REAL300013197666	1	31	-2.0	-107.03	290.51	6.89	-100.14
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=CC=C1Cl	REAL300013197667	1	28	-2.0	-112.77	301.76	4.94	-107.83
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=CC=C1F	REAL300013197668	1	28	-2.0	-116.57	294.20	4.60	-111.97
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197669	1	32	-2.0	-118.70	308.85	7.75	-110.95
CC1=CC=CC(C(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])=C1C	REAL300013197670	1	34	-2.0	-113.72	322.57	5.64	-108.08
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(Br)S1	REAL300013197671	1	27	-2.0	-105.42	275.17	5.30	-100.12
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(Br)S1)C1CC1	REAL300013197672	1	32	-2.0	-104.72	303.09	6.11	-98.61
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(Br)S1)C1CCC1	REAL300013197673	1	31	-2.0	-110.53	286.42	6.79	-103.74
CCCN(C(=O)[N-]C1=NC=C(Br)S1)C(COC)C(=O)[O-]	REAL300013197674	1	34	-2.0	-103.38	313.95	4.95	-98.43
CCCN(C(=O)[N-]C1=NC=C(Br)S1)C(CC)C(=O)[O-]	REAL300013197675	1	33	-2.0	-100.48	301.49	6.25	-94.23
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197676	1	30	-2.0	-106.34	292.33	3.73	-102.61
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCOCC1	REAL300013197677	1	29	-2.0	-107.98	274.57	2.06	-105.92
C=CCCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197678	1	28	-2.0	-104.97	287.70	3.82	-101.15
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197679	1	21	-2.0	-91.30	235.73	1.41	-89.89
CCC(CC)(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197680	1	30	-2.0	-108.96	274.15	3.61	-105.35
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])C=C1	REAL300013197681	1	32	-2.0	-110.03	319.01	3.89	-106.14
CCC(COC)(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197682	1	31	-2.0	-112.00	292.68	2.91	-109.09
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCS(=O)(=O)CC1	REAL300013197683	1	31	-2.0	-113.75	301.65	1.03	-112.72
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197684	1	28	-2.0	-105.87	284.41	4.01	-101.86
COCCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197685	1	28	-2.0	-103.46	287.30	1.50	-101.96
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197686	1	24	-2.0	-100.79	264.26	2.96	-97.83
CCC(NC(=O)[N-]C1=NC=C(Br)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013197687	1	34	-2.0	-115.25	314.60	6.09	-109.16
COC1CCCC(C(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])C1	REAL300013197688	1	38	-2.0	-112.04	339.84	3.64	-108.40
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197689	1	24	-2.0	-100.44	260.22	2.58	-97.86
COC1(CC(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])CCC1	REAL300013197690	1	35	-2.0	-109.30	323.72	3.85	-105.45
O=C([O-])CN(C(=O)[N-]C1=NC=C(Br)S1)C1CCOCC1	REAL300013197691	1	32	-2.0	-106.49	298.45	4.44	-102.05
O=C([O-])CN(C(=O)[N-]C1=NC=C(Br)S1)C1CCCCC1	REAL300013197692	1	34	-2.0	-107.81	307.41	6.81	-101.00
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(Br)S2)(C(=O)[O-])CC1	REAL300013197693	1	34	-2.0	-119.72	299.00	5.41	-114.31
COC1=CC=CC(C(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])=C1	REAL300013197694	1	32	-2.0	-114.00	319.31	3.80	-110.20
CC(CCF)(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197695	1	27	-2.0	-102.50	264.36	2.86	-99.64
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC=C(Br)S1)OC=C2	REAL300013197696	1	29	-2.0	-115.38	291.43	5.88	-109.50
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])=C1	REAL300013197697	1	32	-2.0	-113.96	319.26	3.80	-110.16
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197698	1	24	-2.0	-96.89	246.77	3.78	-93.11
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(Br)S2)C1	REAL300013197699	1	34	-2.0	-121.32	323.04	6.90	-114.42
CC1(C)CCCC(NC(=O)[N-]C2=NC=C(Br)S2)(C(=O)[O-])C1	REAL300013197700	1	37	-2.0	-113.65	311.06	5.43	-108.22
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(Br)S1	REAL300013197701	1	26	-2.0	-124.46	262.63	5.46	-119.00
COC1CN(C(=O)[N-]C2=NC=C(Br)S2)C(C)(C(=O)[O-])C1	REAL300013197702	1	32	-2.0	-108.40	304.09	3.97	-104.43
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197703	1	35	-2.0	-107.70	320.80	3.94	-103.76
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197704	1	30	-2.0	-106.71	282.81	3.56	-103.15
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197705	1	25	-2.0	-103.12	281.88	3.62	-99.50
C=C(C)CC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197706	1	28	-2.0	-104.76	284.98	3.81	-100.95
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(Br)S1	REAL300013197707	1	29	-2.0	-116.11	274.12	5.70	-110.41
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197708	1	26	-2.0	-112.23	266.27	0.76	-111.47
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197709	1	25	-2.0	-109.45	269.25	5.04	-104.41
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197710	1	25	-2.0	-114.77	263.59	4.68	-110.09
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(Br)S2)C1	REAL300013197711	1	26	-2.0	-113.94	268.18	4.61	-109.33
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197712	1	35	-2.0	-106.04	324.85	3.31	-102.73
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197713	1	30	-2.0	-106.34	292.33	3.73	-102.61
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CCOCC1	REAL300013197714	1	32	-2.0	-109.03	298.12	2.23	-106.80
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=CC=C1	REAL300013197715	1	28	-2.0	-112.50	289.76	4.51	-107.99
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197716	1	28	-2.0	-105.87	284.41	4.01	-101.86
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197717	1	27	-2.0	-104.16	298.80	2.59	-101.57
CC(C)CCCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197718	1	36	-2.0	-105.69	335.69	5.27	-100.42
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197719	1	32	-2.0	-111.97	309.82	2.81	-109.16
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197720	1	25	-2.0	-104.78	259.91	-0.46	-105.24
CSCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197721	1	25	-2.0	-105.28	277.33	2.78	-102.50
COC[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197722	1	25	-2.0	-107.70	265.35	0.72	-106.98
CC[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197723	1	24	-2.0	-104.71	253.63	2.43	-102.28
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197724	1	31	-2.0	-103.05	318.17	5.59	-97.46
CCC(C)CC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197725	1	33	-2.0	-106.46	310.32	4.45	-102.01
C=CCCCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197726	1	31	-2.0	-105.12	309.20	4.60	-100.52
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197727	1	31	-2.0	-103.08	318.17	5.58	-97.50
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197728	1	26	-2.0	-110.23	266.31	5.81	-104.42
CC(NC(=O)[N-]C1=NC=C(Br)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013197729	1	31	-2.0	-113.99	297.89	5.22	-108.77
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197730	1	25	-2.0	-120.21	257.04	4.61	-115.60
CCCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197731	1	27	-2.0	-105.20	275.13	3.20	-102.00
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197732	1	27	-2.0	-106.06	265.73	2.76	-103.30
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(Br)S1	REAL300013197733	1	29	-2.0	-126.94	278.99	6.53	-120.41
CCN(C(=O)[N-]C1=NC=C(Br)S1)C(C)(C)C(=O)[O-]	REAL300013197734	1	30	-2.0	-110.26	279.39	5.41	-104.85
CCCN(C(=O)[N-]C1=NC=C(Br)S1)C(C)C(=O)[O-]	REAL300013197735	1	30	-2.0	-100.02	284.88	5.41	-94.61
CCC[C@@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197736	1	27	-2.0	-105.14	274.88	3.26	-101.88
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197737	1	33	-2.0	-112.38	313.56	6.46	-105.92
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197738	1	29	-2.0	-118.44	277.69	5.52	-112.92
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=CC=C1	REAL300013197739	1	28	-2.0	-112.47	289.80	4.50	-107.97
CN(C(=O)[N-]C1=NC=C(Br)S1)C(C)(C)C(=O)[O-]	REAL300013197740	1	27	-2.0	-109.10	260.91	4.55	-104.55
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197741	1	25	-2.0	-120.26	257.10	4.61	-115.65
CCC(C)CC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197744	1	33	-2.0	-106.46	310.32	4.45	-102.01
C#CCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197745	1	23	-2.0	-104.42	259.66	2.91	-101.51
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197746	1	34	-2.0	-111.33	324.88	8.66	-102.67
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197747	1	24	-2.0	-96.81	246.26	3.68	-93.13
CC(C)=CCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197748	1	31	-2.0	-106.49	306.03	4.40	-102.09
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197749	1	30	-2.0	-104.30	306.94	3.74	-100.56
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197750	1	34	-2.0	-101.31	318.40	4.79	-96.52
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197751	1	33	-2.0	-100.71	306.47	6.28	-94.43
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=CC=N1	REAL300013197752	1	27	-2.0	-115.58	286.17	2.93	-112.65
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197753	1	34	-2.0	-115.25	308.83	6.78	-108.47
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197754	1	34	-2.0	-104.29	317.42	7.50	-96.79
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197757	1	30	-2.0	-104.30	306.94	3.74	-100.56
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=CN=C1	REAL300013197758	1	27	-2.0	-109.34	284.69	2.72	-106.62
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197759	1	32	-2.0	-114.47	300.24	5.16	-109.31
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC=C(Br)S1	REAL300013197760	0	32	-2.0	-116.15	308.18	8.40	-107.75
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC=C(Br)S2)[C@H]1C(=O)[O-]	REAL300013197761	0	35	-2.0	-110.61	318.89	7.89	-102.72
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197762	1	33	-2.0	-105.08	329.92	4.45	-100.63
C=CCCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197763	1	28	-2.0	-104.97	287.70	3.82	-101.15
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197764	1	27	-2.0	-106.54	298.58	2.44	-104.10
CC#CCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197765	1	26	-2.0	-106.31	281.73	3.81	-102.50
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(Br)S2)CC1=O	REAL300013197766	1	29	-2.0	-114.80	284.90	4.33	-110.47
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197767	1	28	-2.0	-119.36	273.42	5.43	-113.93
CC(C)[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197768	1	27	-2.0	-106.02	266.32	2.76	-103.26
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=CC=C1	REAL300013197769	1	28	-2.0	-112.22	289.15	4.53	-107.69
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197770	1	31	-2.0	-113.03	303.58	3.79	-109.24
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197771	1	24	-2.0	-96.89	246.77	3.78	-93.11
CCC[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197772	1	27	-2.0	-105.21	275.13	3.19	-102.02
CCN(C(=O)[N-]C1=NC=C(Br)S1)C(C)C(=O)[O-]	REAL300013197773	1	27	-2.0	-98.03	262.92	4.47	-93.56
O=C([O-])CN(C(=O)[N-]C1=NC=C(Br)S1)C1CCCC1	REAL300013197774	1	31	-2.0	-106.61	290.99	6.19	-100.42
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197775	1	30	-2.0	-106.94	284.15	3.45	-103.49
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197776	1	27	-2.0	-97.76	266.71	4.76	-93.00
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CC(CO)C1	REAL300013197777	1	29	-2.0	-120.99	289.09	0.80	-120.19
CCN(C(=O)[N-]C1=NC=C(Br)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013197778	1	37	-2.0	-112.14	337.47	8.60	-103.54
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197779	1	37	-2.0	-111.54	337.10	3.74	-107.80
CC1CCC(NC(=O)[N-]C2=NC=C(Br)S2)(C(=O)[O-])C1	REAL300013197780	1	31	-2.0	-112.45	288.67	4.05	-108.40
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197781	1	34	-2.0	-114.48	297.50	4.68	-109.80
COCCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197782	1	28	-2.0	-103.46	287.30	1.50	-101.96
CC1(C)CC(NC(=O)[N-]C2=NC=C(Br)S2)(C(=O)[O-])C1	REAL300013197783	1	31	-2.0	-120.36	293.25	5.22	-115.14
CC1(C(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])CC1	REAL300013197784	1	28	-2.0	-108.04	282.36	3.56	-104.48
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197785	1	37	-2.0	-111.33	337.52	3.72	-107.61
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197786	1	26	-2.0	-127.25	268.32	1.39	-125.86
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CCOC1	REAL300013197787	1	29	-2.0	-105.56	280.40	1.47	-104.09
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(Br)S1	REAL300013197788	1	29	-2.0	-123.66	278.66	6.03	-117.63
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1=CNC2=CC=CC=C12	REAL300013197789	1	32	-2.0	-117.86	321.32	4.59	-113.27
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(Br)S1)C2	REAL300013197790	1	27	-2.0	-111.91	268.07	3.18	-108.73
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(Br)S2)C1	REAL300013197791	1	31	-2.0	-117.98	287.07	6.35	-111.63
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197792	1	34	-2.0	-107.78	326.95	5.77	-102.01
CN(C(=O)[N-]C1=NC=C(Br)S1)C1(C(=O)[O-])CC1	REAL300013197793	1	25	-2.0	-112.12	262.33	4.64	-107.48
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197794	1	35	-2.0	-107.89	326.46	5.58	-102.31
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CCC1	REAL300013197795	1	28	-2.0	-107.45	273.29	3.39	-104.06
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CCCCC1	REAL300013197796	1	34	-2.0	-107.64	309.46	4.86	-102.78
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CCC1	REAL300013197797	1	28	-2.0	-107.45	273.29	3.39	-104.06
CC1CCN(C(=O)[N-]C2=NC=C(Br)S2)C1C(=O)[O-]	REAL300013197798	1	28	-2.0	-122.76	278.99	5.09	-117.67
C=CCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197799	1	25	-2.0	-104.80	266.91	2.89	-101.91
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197800	1	35	-2.0	-109.19	325.62	4.24	-104.95
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197801	1	35	-2.0	-118.26	303.75	6.75	-111.51
CC1(C)CC(NC(=O)[N-]C2=NC=C(Br)S2)(C(=O)[O-])CCO1	REAL300013197802	1	35	-2.0	-108.88	303.69	3.36	-105.52
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC=C(Br)S1)C2C(=O)[O-]	REAL300013197803	1	35	-2.0	-119.59	326.41	8.24	-111.35
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197804	1	35	-2.0	-107.89	326.46	5.58	-102.31
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197805	1	31	-2.0	-105.89	318.18	5.58	-100.31
COC1CC(NC(=O)[N-]C2=NC=C(Br)S2)(C(=O)[O-])C1	REAL300013197806	1	29	-2.0	-115.14	288.39	2.40	-112.74
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CC(F)(F)C1	REAL300013197807	1	25	-2.0	-112.36	265.23	3.55	-108.81
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(Br)S2)(C(=O)[O-])C1	REAL300013197808	1	29	-2.0	-113.46	286.71	2.30	-111.16
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1(C(F)(F)F)CC1	REAL300013197809	1	28	-2.0	-105.89	294.88	3.93	-101.96
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197810	1	31	-2.0	-114.51	284.60	6.16	-108.35
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197811	1	24	-2.0	-99.68	269.58	3.14	-96.54
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197812	1	32	-2.0	-105.62	308.68	2.63	-102.99
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)COC1	REAL300013197813	1	23	-2.0	-110.18	247.63	0.56	-109.62
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197814	1	28	-2.0	-105.54	303.93	4.50	-101.04
CC(C)C(C)(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197815	1	30	-2.0	-108.35	272.68	3.34	-105.01
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197816	1	26	-2.0	-125.22	263.68	6.01	-119.21
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197817	1	29	-2.0	-116.48	277.34	5.06	-111.42
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197818	1	34	-2.0	-104.29	317.42	7.50	-96.79
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197819	1	37	-2.0	-108.06	333.96	5.63	-102.43
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197820	1	34	-2.0	-107.13	334.79	6.28	-100.85
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197821	1	34	-2.0	-107.14	335.03	6.22	-100.92
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CC2CCC1C2	REAL300013197822	1	35	-2.0	-110.57	316.35	5.27	-105.30
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197823	1	37	-2.0	-107.94	333.73	5.72	-102.22
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197824	1	37	-2.0	-107.90	333.14	5.66	-102.24
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197825	1	35	-2.0	-118.28	318.47	6.91	-111.37
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197826	1	35	-2.0	-124.53	315.10	6.61	-117.92
C=CCSCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197827	1	29	-2.0	-105.87	311.60	4.24	-101.63
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])C=C1	REAL300013197828	1	32	-2.0	-102.42	331.99	5.87	-96.55
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197829	1	30	-2.0	-99.03	280.38	5.54	-93.49
COC1(C(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])CCC1	REAL300013197830	1	32	-2.0	-111.95	301.87	2.22	-109.73
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCC(C(F)F)CC1	REAL300013197831	1	34	-2.0	-108.01	315.55	5.39	-102.62
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCC2=CC=CC=C2C1	REAL300013197832	1	35	-2.0	-115.21	321.10	6.47	-108.74
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CC(C(F)F)C1	REAL300013197833	1	28	-2.0	-114.56	286.92	4.25	-110.31
O=C([O-])C1CC(NC(=O)NC2=NC=C(Br)S2)(C(=O)[O-])C1	REAL300013197834	0	28	-2.0	-123.04	288.93	5.31	-117.73
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(Br)S2)(C(=O)[O-])C1	REAL300013197834	1	27	-3.0	-191.49	284.31	4.00	-187.49
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC=C(Br)S2)C(=O)[O-])C=C1	REAL300013197835	1	37	-2.0	-112.23	350.01	6.43	-105.80
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197836	1	25	-2.0	-114.77	263.59	4.68	-110.09
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197837	1	27	-2.0	-113.83	270.07	5.27	-108.56
CC1(C)CCN(C(=O)[N-]C2=NC=C(Br)S2)C1C(=O)[O-]	REAL300013197838	1	31	-2.0	-123.68	292.46	5.56	-118.12
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197839	1	35	-2.0	-128.30	312.52	7.89	-120.41
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CCC2=CC=CC=C21	REAL300013197840	1	35	-2.0	-109.95	331.78	6.38	-103.57
CC(C)CCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197841	1	33	-2.0	-105.63	313.95	4.56	-101.07
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197842	1	32	-2.0	-118.96	304.51	6.39	-112.57
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197843	1	32	-2.0	-105.62	308.68	2.63	-102.99
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(Br)S2)C1	REAL300013197844	1	29	-2.0	-109.00	297.51	5.57	-103.43
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197845	1	25	-2.0	-101.15	259.54	-0.92	-102.07
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197846	1	22	-2.0	-108.49	243.10	-1.68	-110.17
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCCC2CC21	REAL300013197847	1	32	-2.0	-113.07	291.47	4.92	-108.15
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CCC2CC21	REAL300013197848	1	29	-2.0	-112.58	277.26	4.05	-108.53
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CC2(CCC2)C1	REAL300013197849	1	32	-2.0	-120.35	299.43	5.14	-115.21
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC=C(Br)S1)CCCCC2	REAL300013197850	1	38	-2.0	-119.91	332.78	7.37	-112.54
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CCCC1	REAL300013197851	1	31	-2.0	-108.44	289.83	3.96	-104.48
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197852	1	28	-2.0	-108.14	283.13	1.66	-106.48
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197853	1	28	-2.0	-110.88	270.35	3.69	-107.19
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197854	1	31	-2.0	-108.04	312.65	7.55	-100.49
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(Br)S2)C1	REAL300013197855	1	31	-2.0	-115.97	294.48	5.28	-110.69
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197856	1	28	-2.0	-117.31	279.61	6.47	-110.84
O=C([O-])C1N(C(=O)[N-]C2=NC=C(Br)S2)CCC1(F)F	REAL300013197857	1	25	-2.0	-109.97	265.90	4.54	-105.43
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197858	1	31	-2.0	-105.89	318.18	5.58	-100.31
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197859	1	28	-2.0	-105.17	302.89	4.39	-100.78
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197860	1	28	-2.0	-106.92	283.81	5.17	-101.75
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CC2(CC(F)(F)C2)C1	REAL300013197861	1	32	-2.0	-118.61	318.63	5.58	-113.03
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(Br)S1	REAL300013197862	1	28	-2.0	-105.17	302.89	4.39	-100.78
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC=C(Br)S1	REAL300013197863	1	32	-2.0	-124.87	294.57	6.27	-118.60
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(Br)S1)C1=CC=C(O)C=C1	REAL300013197864	1	29	-2.0	-109.64	300.80	1.66	-107.98
COCCCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197865	1	31	-2.0	-105.91	308.56	2.33	-103.58
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197866	1	30	-2.0	-98.65	288.71	5.64	-93.01
CCOCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197867	1	28	-2.0	-108.41	287.20	1.70	-106.71
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197868	1	33	-2.0	-106.80	304.45	4.84	-101.96
O=C([O-])C(NC(=O)[N-]C1=NC=C(Br)S1)C1CCCCO1	REAL300013197869	1	32	-2.0	-111.60	304.12	2.57	-109.03
O=C([O-])C1(NC(=O)[N-]C2=NC=C(Br)S2)CC2=CC=CC=C2C1	REAL300013197870	1	32	-2.0	-122.52	309.80	6.09	-116.43
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(Br)S2)[C@@H]1C(=O)[O-]	REAL300013197871	1	29	-2.0	-121.91	279.44	4.47	-117.44
N#CCCC(NC(=O)[N-]C1=NC=C(Br)S1)C(=O)[O-]	REAL300013197872	1	25	-2.0	-100.10	274.48	2.94	-97.16
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197873	1	28	-2.0	-106.36	294.33	5.69	-100.67
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(Br)S1	REAL300013197874	1	24	-2.0	-97.43	245.72	3.64	-93.79
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(Br)S2)C1	REAL300013197875	1	32	-2.0	-114.57	309.35	4.36	-110.21
C=CCN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013197876	1	48	-2.0	-114.10	396.74	11.37	-102.73
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197877	1	41	-2.0	-126.64	371.35	8.13	-118.51
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197878	1	47	-2.0	-131.43	399.77	9.72	-121.71
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197879	1	47	-2.0	-127.39	378.06	7.91	-119.48
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197880	1	44	-2.0	-123.54	368.97	10.48	-113.06
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1	REAL300013197881	1	41	-2.0	-132.19	355.06	7.54	-124.65
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197882	1	34	-2.0	-117.42	312.83	5.45	-111.97
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC2=CC=CC=C2C=C1	REAL300013197883	1	44	-2.0	-135.32	379.85	9.06	-126.26
O=C([N-]C1=NC2=C(CCCC2)S1)NC1(C(=O)[O-])CCSCC1	REAL300013197884	1	39	-2.0	-124.66	324.95	6.57	-118.09
COCC(C)(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197885	1	38	-2.0	-129.37	320.11	4.33	-125.04
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197886	1	41	-2.0	-117.10	342.41	6.46	-110.64
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197887	1	40	-2.0	-121.96	333.93	8.10	-113.86
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197888	1	47	-2.0	-122.04	383.85	10.51	-111.53
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197889	1	37	-2.0	-115.03	337.41	7.96	-107.07
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCOC1	REAL300013197890	1	36	-2.0	-125.51	303.38	3.18	-122.33
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCCCC1	REAL300013197891	1	44	-2.0	-128.98	351.47	6.92	-122.06
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=C(O)C=C1	REAL300013197892	1	39	-2.0	-129.35	344.88	3.94	-125.41
CN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013197893	1	45	-2.0	-119.13	370.00	7.80	-111.33
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197894	1	45	-2.0	-133.78	373.15	11.06	-122.72
C=CCOCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197895	1	39	-2.0	-126.88	344.35	4.50	-122.38
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197896	1	39	-2.0	-143.83	321.09	4.87	-138.96
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197897	1	38	-2.0	-124.94	322.25	5.56	-119.38
O=C([N-]C1=NC2=C(CCCC2)S1)NC(C(=O)[O-])C1CCOCC1	REAL300013197898	1	42	-2.0	-125.71	347.76	4.76	-120.95
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=C(F)C(F)=C1	REAL300013197899	1	38	-2.0	-120.87	345.98	6.96	-113.91
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=C(Cl)C(F)=C1	REAL300013197900	1	38	-2.0	-121.74	356.47	7.36	-114.38
COC1CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C(C(=O)[O-])C1	REAL300013197901	1	42	-2.0	-138.33	342.83	7.14	-131.19
O=C([N-]C1=NC2=C(CCCC2)S1)NC(C(=O)[O-])C1CCCOC1	REAL300013197902	1	42	-2.0	-124.26	342.20	4.54	-119.72
CC1CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C(C(=O)[O-])C1	REAL300013197903	1	41	-2.0	-139.84	331.20	8.79	-131.05
CC1=CC(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])=CC=C1F	REAL300013197904	1	41	-2.0	-124.64	360.38	7.57	-117.07
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=C2OCCC2=C1	REAL300013197905	1	43	-2.0	-130.40	369.80	6.64	-123.76
CC1=CC(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])=CC(C)=C1	REAL300013197906	1	44	-2.0	-134.33	376.09	8.16	-126.17
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1C	REAL300013197907	1	44	-2.0	-134.27	372.33	7.99	-126.28
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1O	REAL300013197908	1	43	-2.0	-129.34	373.55	3.95	-125.39
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1Cl	REAL300013197909	1	42	-2.0	-127.46	378.80	6.69	-120.77
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197910	1	38	-2.0	-139.04	310.18	8.17	-130.87
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=C(Cl)C=C1	REAL300013197911	1	38	-2.0	-124.69	350.60	7.31	-117.38
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197912	1	36	-2.0	-131.38	310.42	8.16	-123.22
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCCCC1	REAL300013197913	1	41	-2.0	-131.66	327.26	6.88	-124.78
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCCC1	REAL300013197914	1	38	-2.0	-130.99	312.74	5.79	-125.20
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCCCCC1	REAL300013197915	1	44	-2.0	-132.15	332.95	7.56	-124.59
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197916	1	41	-2.0	-125.77	355.27	7.76	-118.01
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197917	1	41	-2.0	-123.90	356.77	9.83	-114.07
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CC=C1	REAL300013197918	1	38	-2.0	-131.95	333.67	6.87	-125.08
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CC=C1	REAL300013197919	1	38	-2.0	-132.13	333.89	6.79	-125.34
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197920	1	41	-2.0	-125.77	355.27	7.76	-118.01
CCC(C)C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197921	1	40	-2.0	-124.90	329.93	5.89	-119.01
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197922	1	38	-2.0	-139.04	310.18	8.17	-130.87
CCCC(C)(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197923	1	40	-2.0	-127.39	323.37	5.80	-121.59
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197924	1	40	-2.0	-121.96	333.93	8.10	-113.86
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197925	1	42	-2.0	-141.21	348.33	10.21	-131.00
CC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)(C(=O)[O-])C1CC1	REAL300013197926	1	38	-2.0	-129.22	314.59	5.88	-123.34
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CS1	REAL300013197927	1	35	-2.0	-128.62	324.89	5.91	-122.71
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCCCC1	REAL300013197928	1	41	-2.0	-131.66	327.26	6.88	-124.78
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197929	1	41	-2.0	-113.21	367.47	10.06	-103.15
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197930	1	45	-2.0	-131.35	384.37	7.82	-123.53
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197931	1	40	-2.0	-125.69	327.32	5.67	-120.02
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCCC1	REAL300013197932	1	38	-2.0	-130.99	312.74	5.79	-125.20
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197933	1	41	-2.0	-112.82	357.15	9.61	-103.21
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CC2=CC=CC=C2C1	REAL300013197934	1	42	-2.0	-135.63	351.85	7.94	-127.69
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC(F)=CC=C1F	REAL300013197935	1	38	-2.0	-130.76	344.76	6.95	-123.81
CC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013197936	1	41	-2.0	-134.01	341.99	7.54	-126.47
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197937	1	49	-2.0	-128.06	387.87	8.13	-119.93
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197938	1	36	-2.0	-126.28	307.53	2.89	-123.39
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197939	1	42	-2.0	-125.29	378.85	7.69	-117.60
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=C(Cl)C=C1	REAL300013197940	1	38	-2.0	-124.69	350.60	7.31	-117.38
O=C([O-])C1COCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197941	1	36	-2.0	-132.55	301.50	5.75	-126.80
CN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013197942	1	44	-2.0	-130.82	338.66	8.61	-122.21
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197943	1	44	-2.0	-124.04	379.18	10.61	-113.43
CN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013197944	1	41	-2.0	-125.42	342.94	8.68	-116.74
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197945	1	38	-2.0	-121.57	329.15	6.00	-115.57
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCC2=CC=CC=C21	REAL300013197946	1	42	-2.0	-140.04	348.81	7.85	-132.19
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197947	1	38	-2.0	-130.10	308.21	7.74	-122.36
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197948	1	36	-2.0	-123.85	307.56	2.89	-120.96
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197949	1	38	-2.0	-131.88	315.40	7.28	-124.60
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197950	1	45	-2.0	-132.14	389.81	7.73	-124.41
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197951	1	41	-2.0	-138.14	325.20	8.94	-129.20
CCCCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197952	1	40	-2.0	-123.92	339.90	6.28	-117.64
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CC(O)=C1	REAL300013197953	1	39	-2.0	-131.81	344.29	3.97	-127.84
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197954	1	44	-2.0	-124.04	379.18	10.61	-113.43
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197955	1	38	-2.0	-131.82	315.47	7.29	-124.53
CN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013197956	1	44	-2.0	-130.82	338.66	8.61	-122.21
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCCC1	REAL300013197957	1	41	-2.0	-121.24	334.12	8.40	-112.84
CCCCCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197958	1	43	-2.0	-123.89	361.40	7.06	-116.83
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197959	1	40	-2.0	-125.77	326.91	5.85	-119.92
CCC1CCC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)(C(=O)[O-])CC1	REAL300013197960	1	47	-2.0	-132.15	366.32	8.14	-124.01
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCOCC1	REAL300013197961	1	42	-2.0	-121.41	342.56	6.73	-114.68
CN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C1(C(=O)[O-])CCCC1	REAL300013197962	1	41	-2.0	-135.53	326.65	7.96	-127.57
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCC2)S1)C1CC1	REAL300013197963	1	38	-2.0	-115.83	308.82	7.04	-108.79
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCC2)S1)C1CC1	REAL300013197964	1	41	-2.0	-118.40	332.32	8.56	-109.84
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CC=C1Cl	REAL300013197965	1	38	-2.0	-132.18	344.66	7.27	-124.91
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CC=C1F	REAL300013197966	1	38	-2.0	-136.30	338.07	6.95	-129.35
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197967	1	42	-2.0	-131.24	350.81	9.60	-121.64
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])=C1C	REAL300013197968	1	44	-2.0	-133.39	363.90	7.81	-125.58
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1F	REAL300013197969	1	42	-2.0	-127.47	369.00	6.21	-121.26
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCC2)S1)C1CC1	REAL300013197970	1	42	-2.0	-116.21	345.35	8.12	-108.09
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCC1	REAL300013197971	1	41	-2.0	-113.17	332.31	8.00	-105.17
CCCN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C(COC)C(=O)[O-]	REAL300013197972	1	44	-2.0	-128.54	362.11	8.45	-120.09
CCCN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C(CC)C(=O)[O-]	REAL300013197973	1	43	-2.0	-127.00	348.39	9.12	-117.88
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197974	1	40	-2.0	-125.00	335.60	6.04	-118.96
O=C([N-]C1=NC2=C(CCCC2)S1)NC1(C(=O)[O-])CCOCC1	REAL300013197975	1	39	-2.0	-126.82	318.68	4.39	-122.43
C=CCCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197976	1	38	-2.0	-123.80	331.21	6.06	-117.74
CCC(CC)(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197977	1	40	-2.0	-128.46	318.54	5.93	-122.53
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1	REAL300013197978	1	42	-2.0	-129.31	363.12	6.18	-123.13
CCC(COC)(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197979	1	41	-2.0	-131.36	336.79	5.23	-126.13
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCS(=O)(=O)CC1	REAL300013197980	1	41	-2.0	-125.42	343.79	2.87	-122.55
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197981	1	38	-2.0	-124.69	328.51	6.29	-118.40
COCCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197982	1	38	-2.0	-121.54	331.41	3.77	-117.77
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197983	1	34	-2.0	-118.18	307.51	5.26	-112.92
CCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013197984	1	44	-2.0	-128.54	375.40	8.95	-119.59
CCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013197985	1	44	-2.0	-135.33	358.71	8.43	-126.90
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])C1	REAL300013197986	1	48	-2.0	-128.85	385.99	6.14	-122.71
O=C([O-])C(CCF)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013197987	1	34	-2.0	-118.06	303.49	4.89	-113.17
COC1(CC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])CCC1	REAL300013197988	1	45	-2.0	-128.67	367.83	6.14	-122.53
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC3=C(CCCC3)S2)=C1	REAL300013197989	1	45	-2.0	-129.32	376.35	8.28	-121.04
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCOCC1	REAL300013197990	1	42	-2.0	-121.41	342.56	6.73	-114.68
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCCCC1	REAL300013197991	1	44	-2.0	-122.92	351.51	9.11	-113.81
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(CCCC3)S2)(C(=O)[O-])CC1	REAL300013197992	1	44	-2.0	-132.41	341.05	7.26	-125.15
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])=C1	REAL300013197993	1	42	-2.0	-133.66	362.78	6.12	-127.54
CC(CCF)(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013197994	1	37	-2.0	-120.92	308.46	5.18	-115.74
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC3=C(CCCC3)S1)OC=C2	REAL300013197995	1	39	-2.0	-127.14	333.48	7.72	-119.42
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])=C1	REAL300013197996	1	42	-2.0	-133.89	363.40	6.07	-127.82
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013197997	1	44	-2.0	-134.03	365.10	8.74	-125.29
COC1=CC=CC(CC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])=C1	REAL300013197998	1	45	-2.0	-128.52	385.38	7.10	-121.42
CC1(C)CCCC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)(C(=O)[O-])C1	REAL300013197999	1	47	-2.0	-133.69	355.17	7.76	-125.93
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198000	1	36	-2.0	-137.06	304.69	7.31	-129.75
CC(CC1=CC=C(Cl)C=C1)(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198001	1	44	-2.0	-125.34	376.03	8.40	-116.94
CC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013198002	1	43	-2.0	-132.46	370.23	8.21	-124.25
COC1CN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C(C)(C(=O)[O-])C1	REAL300013198003	1	42	-2.0	-131.14	348.65	6.25	-124.89
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198004	1	45	-2.0	-126.28	364.07	6.26	-120.02
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198005	1	40	-2.0	-125.77	326.91	5.85	-119.92
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198006	1	35	-2.0	-120.81	326.16	5.80	-115.01
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198007	1	38	-2.0	-123.38	331.58	5.90	-117.48
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198008	1	39	-2.0	-136.80	318.23	8.05	-128.75
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198009	1	36	-2.0	-131.61	310.36	3.07	-128.54
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198010	1	44	-2.0	-125.09	365.72	7.94	-117.15
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198011	1	35	-2.0	-121.52	311.30	6.88	-114.64
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198012	1	35	-2.0	-126.61	304.80	6.84	-119.77
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013198013	1	36	-2.0	-133.53	311.58	7.17	-126.36
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198014	1	45	-2.0	-123.52	364.99	6.21	-117.31
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198015	1	40	-2.0	-125.00	335.60	6.04	-118.96
O=C([N-]C1=NC2=C(CCCC2)S1)NC(C(=O)[O-])C1CCOCC1	REAL300013198016	1	42	-2.0	-125.71	347.76	4.76	-120.95
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CC=C1	REAL300013198017	1	38	-2.0	-132.13	333.89	6.79	-125.34
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300013198018	1	41	-2.0	-126.70	372.00	7.81	-118.89
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198019	1	38	-2.0	-124.69	328.51	6.29	-118.40
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198020	1	37	-2.0	-123.08	341.88	4.92	-118.16
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198021	1	46	-2.0	-124.56	379.80	7.55	-117.01
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198022	1	44	-2.0	-129.26	385.50	8.25	-121.01
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198023	1	42	-2.0	-131.51	353.68	5.16	-126.35
CSCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198024	1	35	-2.0	-123.69	320.53	5.17	-118.52
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198025	1	41	-2.0	-121.27	362.58	7.80	-113.47
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198026	1	43	-2.0	-126.40	354.66	6.71	-119.69
C=CCCCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198027	1	41	-2.0	-123.87	353.54	6.82	-117.05
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198028	1	41	-2.0	-121.20	361.68	7.83	-113.37
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CC2=CC=CC=C21	REAL300013198029	1	44	-2.0	-125.55	374.14	9.20	-116.35
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198030	1	36	-2.0	-131.38	310.42	8.16	-123.22
CC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013198031	1	41	-2.0	-134.01	341.99	7.54	-126.47
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198032	1	39	-2.0	-139.74	321.14	8.43	-131.31
CCN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C(C)(C)C(=O)[O-]	REAL300013198033	1	40	-2.0	-129.08	323.51	7.74	-121.34
CCCN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C(C)C(=O)[O-]	REAL300013198034	1	40	-2.0	-116.73	330.69	7.76	-108.97
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198035	1	43	-2.0	-124.12	355.62	8.30	-115.82
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198036	1	39	-2.0	-133.59	321.79	7.81	-125.78
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CC=C1	REAL300013198037	1	38	-2.0	-131.95	333.67	6.87	-125.08
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=C(C(F)(F)F)C=C1	REAL300013198038	1	41	-2.0	-122.77	372.64	7.79	-114.98
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198041	1	43	-2.0	-126.40	354.66	6.71	-119.69
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198042	1	44	-2.0	-120.21	361.59	9.78	-110.43
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198043	1	41	-2.0	-125.05	350.41	6.61	-118.44
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198044	1	40	-2.0	-122.62	351.29	5.97	-116.65
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198045	1	44	-2.0	-117.90	362.69	7.20	-110.70
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198046	1	43	-2.0	-116.53	348.09	8.49	-108.04
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CC=N1	REAL300013198047	1	37	-2.0	-135.12	330.28	5.21	-129.91
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198048	1	44	-2.0	-134.81	352.88	9.19	-125.62
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198049	1	44	-2.0	-120.28	361.62	9.80	-110.48
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198052	1	40	-2.0	-122.62	351.29	5.97	-116.65
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CN=C1	REAL300013198053	1	37	-2.0	-127.95	328.56	5.07	-122.88
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198054	1	42	-2.0	-132.64	344.74	7.54	-125.10
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198055	0	42	-2.0	-136.28	352.28	10.73	-125.55
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC3=C(CCCC3)S2)[C@H]1C(=O)[O-]	REAL300013198056	0	45	-2.0	-122.76	360.94	9.76	-113.00
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198057	1	43	-2.0	-123.39	373.78	6.80	-116.59
C=CCCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198058	1	38	-2.0	-123.80	331.21	6.06	-117.74
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198059	1	37	-2.0	-125.11	342.69	4.72	-120.39
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198060	1	38	-2.0	-117.01	361.36	6.56	-110.45
CC#CCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198061	1	36	-2.0	-124.98	325.00	6.10	-118.88
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC1=O	REAL300013198062	1	39	-2.0	-127.31	326.71	6.11	-121.20
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198063	1	38	-2.0	-124.82	313.37	6.83	-117.99
O=C([O-])[C@@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=CC=C1	REAL300013198064	1	38	-2.0	-132.18	333.86	6.79	-125.39
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198065	1	41	-2.0	-129.65	343.35	6.08	-123.57
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCCC1	REAL300013198066	1	41	-2.0	-121.24	334.12	8.40	-112.84
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198067	1	40	-2.0	-125.69	327.32	5.67	-120.02
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CC(CO)C1	REAL300013198068	1	39	-2.0	-133.76	331.15	2.64	-131.12
CCN(C(=O)[N-]C1=NC2=C(CCCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013198069	1	47	-2.0	-131.32	381.59	10.93	-120.39
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198070	1	47	-2.0	-130.61	381.73	5.99	-124.62
CC1CCC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)(C(=O)[O-])C1	REAL300013198071	1	41	-2.0	-132.03	333.80	6.41	-125.62
CC1(C)CCCC1(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198072	1	44	-2.0	-135.10	341.71	7.03	-128.07
COCCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198073	1	38	-2.0	-121.54	331.41	3.77	-117.77
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)(C(=O)[O-])C1	REAL300013198074	1	41	-2.0	-133.09	335.31	7.08	-126.01
CC1CCC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)(C(=O)[O-])C2=CC=CC=C21	REAL300013198075	1	48	-2.0	-141.62	382.75	9.14	-132.48
CC1(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])CC1	REAL300013198076	1	38	-2.0	-127.59	319.19	6.06	-121.53
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198077	1	47	-2.0	-130.28	381.53	5.99	-124.29
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198078	1	36	-2.0	-139.93	310.39	3.24	-136.69
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198079	1	46	-2.0	-132.34	378.19	10.68	-121.66
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCOC1	REAL300013198080	1	39	-2.0	-122.28	324.96	3.65	-118.63
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198081	1	39	-2.0	-128.49	318.66	7.41	-121.08
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CNC2=CC=CC=C12	REAL300013198082	1	42	-2.0	-138.81	366.03	6.84	-131.97
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC3=C(CCCC3)S1)C2	REAL300013198083	1	37	-2.0	-131.92	311.69	5.58	-126.34
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013198084	1	41	-2.0	-140.00	326.61	9.00	-131.00
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198085	1	44	-2.0	-126.89	371.25	8.08	-118.81
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198086	1	45	-2.0	-127.02	369.59	7.88	-119.14
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCC1	REAL300013198087	1	38	-2.0	-126.71	317.86	5.69	-121.02
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)(C(=O)[O-])CC(C)(C)O1	REAL300013198088	1	51	-2.0	-130.15	391.16	7.47	-122.68
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCCCC1	REAL300013198089	1	44	-2.0	-128.98	351.47	6.92	-122.06
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCC1	REAL300013198090	1	38	-2.0	-126.71	317.86	5.69	-121.02
CC1CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1C(=O)[O-]	REAL300013198091	1	38	-2.0	-135.47	321.04	6.94	-128.53
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198092	1	45	-2.0	-128.36	369.73	6.52	-121.84
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198093	1	45	-2.0	-130.08	344.07	8.13	-121.95
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)(C(=O)[O-])CCO1	REAL300013198094	1	45	-2.0	-128.08	347.80	5.68	-122.40
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC3=C(CCCC3)S1)C2C(=O)[O-]	REAL300013198095	1	45	-2.0	-146.65	364.67	10.68	-135.97
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198096	1	45	-2.0	-127.02	369.59	7.88	-119.14
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198097	1	41	-2.0	-123.41	362.33	7.86	-115.55
COC1CC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)(C(=O)[O-])C1	REAL300013198098	1	39	-2.0	-127.88	330.45	4.25	-123.63
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CC(F)(F)C1	REAL300013198099	1	35	-2.0	-124.37	307.29	5.40	-118.97
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(CCCC3)S2)(C(=O)[O-])C1	REAL300013198100	1	39	-2.0	-127.80	330.48	4.24	-123.56
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1(C(F)(F)F)CC1	REAL300013198101	1	38	-2.0	-122.22	335.69	6.49	-115.73
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198102	1	41	-2.0	-133.74	329.06	8.21	-125.53
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198103	1	34	-2.0	-117.42	312.83	5.45	-111.97
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198104	1	42	-2.0	-124.62	351.30	4.80	-119.82
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198105	1	38	-2.0	-123.88	348.13	6.79	-117.09
COCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013198106	1	45	-2.0	-135.18	374.69	6.71	-128.47
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198107	1	40	-2.0	-127.95	318.61	5.73	-122.22
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198108	1	36	-2.0	-129.45	303.59	7.44	-122.01
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198109	1	39	-2.0	-129.09	319.66	7.10	-121.99
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198110	1	44	-2.0	-120.28	361.62	9.80	-110.48
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198111	1	47	-2.0	-127.39	378.06	7.91	-119.48
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198112	1	44	-2.0	-125.98	378.30	8.53	-117.45
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198113	1	44	-2.0	-126.03	379.14	8.51	-117.52
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1CC2CCC1C2	REAL300013198114	1	45	-2.0	-129.81	359.51	7.57	-122.24
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198115	1	47	-2.0	-127.28	377.84	8.00	-119.28
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198116	1	47	-2.0	-127.39	378.06	7.92	-119.47
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198117	1	45	-2.0	-132.10	360.53	8.77	-123.33
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198118	1	45	-2.0	-137.15	356.09	8.54	-128.61
COC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1	REAL300013198119	1	45	-2.0	-125.45	385.66	7.04	-118.41
C=CCSCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198120	1	39	-2.0	-124.47	355.48	6.58	-117.89
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1	REAL300013198121	1	42	-2.0	-120.13	376.94	8.13	-112.00
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198122	1	40	-2.0	-116.51	325.49	7.84	-108.67
COC1(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])CCC1	REAL300013198123	1	42	-2.0	-125.36	345.33	4.39	-120.97
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCC(C(F)F)CC1	REAL300013198124	1	44	-2.0	-130.27	358.86	7.69	-122.58
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCC2=CC=CC=C2C1	REAL300013198125	1	45	-2.0	-135.77	365.21	8.80	-126.97
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CC(C(F)F)C1	REAL300013198126	1	38	-2.0	-132.96	330.87	6.21	-126.75
O=C([O-])C1CC(NC(=O)NC2=NC3=C(CCCC3)S2)(C(=O)[O-])C1	REAL300013198127	0	38	-2.0	-130.23	331.01	7.17	-123.06
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)(C(=O)[O-])C1	REAL300013198127	1	37	-3.0	-209.71	327.75	5.96	-203.75
CC(C)(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1	REAL300013198128	1	50	-2.0	-132.04	409.88	9.19	-122.85
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1	REAL300013198129	1	47	-2.0	-131.92	394.14	8.72	-123.20
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198130	1	35	-2.0	-126.61	304.80	6.84	-119.77
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198131	1	37	-2.0	-129.59	312.77	7.14	-122.45
CC1(C)CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1C(=O)[O-]	REAL300013198132	1	41	-2.0	-136.13	332.31	7.51	-128.62
CCOC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1	REAL300013198133	1	45	-2.0	-129.13	385.24	7.01	-122.12
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198134	1	45	-2.0	-142.56	355.88	9.89	-132.67
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCC2=CC=CC=C21	REAL300013198135	1	45	-2.0	-122.38	371.68	9.07	-113.31
CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198136	1	45	-2.0	-132.80	376.33	7.79	-125.01
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198137	1	41	-2.0	-124.47	370.13	7.71	-116.76
CC(C)CCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198138	1	43	-2.0	-124.59	358.30	6.77	-117.82
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198139	1	42	-2.0	-133.57	347.96	8.28	-125.29
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198140	1	42	-2.0	-124.62	351.30	4.80	-119.82
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013198141	1	39	-2.0	-121.07	339.38	7.43	-113.64
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCCC2CC21	REAL300013198142	1	42	-2.0	-134.89	332.97	7.53	-127.36
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCC2CC21	REAL300013198143	1	39	-2.0	-133.34	320.23	6.61	-126.73
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CC2(CCC2)C1	REAL300013198144	1	42	-2.0	-134.32	347.54	7.25	-127.07
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC3=C(CCCC3)S1)CCCCC2	REAL300013198145	1	48	-2.0	-133.82	374.84	9.21	-124.61
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1CCCC1	REAL300013198146	1	41	-2.0	-127.62	333.92	6.30	-121.32
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198147	1	38	-2.0	-126.56	327.74	3.96	-122.60
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198148	1	38	-2.0	-124.52	314.82	5.74	-118.78
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198149	1	41	-2.0	-123.90	356.77	9.83	-114.07
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013198150	1	41	-2.0	-131.43	338.53	7.57	-123.86
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198151	1	42	-2.0	-130.57	359.46	10.07	-120.50
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198152	1	38	-2.0	-129.55	321.75	8.25	-121.30
O=C([O-])C1N(C(=O)[N-]C2=NC3=C(CCCC3)S2)CCC1(F)F	REAL300013198153	1	35	-2.0	-129.06	310.01	6.86	-122.20
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198154	1	41	-2.0	-123.41	362.33	7.86	-115.55
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198155	1	38	-2.0	-123.54	347.00	6.67	-116.87
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198156	1	38	-2.0	-125.14	327.92	7.49	-117.65
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CC2(CC(F)(F)C2)C1	REAL300013198157	1	42	-2.0	-131.14	360.67	7.44	-123.70
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198158	1	46	-2.0	-131.96	385.56	9.14	-122.82
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198159	1	38	-2.0	-123.54	347.00	6.67	-116.87
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198160	1	42	-2.0	-137.85	336.63	8.12	-129.73
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CCCC2)S1)C1=CC=C(O)C=C1	REAL300013198161	1	39	-2.0	-128.72	344.67	4.01	-124.71
COCCCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198162	1	41	-2.0	-124.77	352.91	4.55	-120.22
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198163	1	40	-2.0	-116.33	331.73	7.93	-108.40
CCOCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198164	1	38	-2.0	-126.67	331.44	3.93	-122.74
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198165	1	43	-2.0	-125.56	348.58	7.13	-118.43
O=C([N-]C1=NC2=C(CCCC2)S1)NC(C(=O)[O-])C1CCCCO1	REAL300013198166	1	42	-2.0	-130.04	346.47	4.87	-125.17
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CC2=CC=CC=C2C1	REAL300013198167	1	42	-2.0	-135.63	351.85	7.94	-127.69
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)[C@@H]1C(=O)[O-]	REAL300013198168	1	39	-2.0	-134.85	321.71	6.42	-128.43
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198169	1	41	-2.0	-110.17	339.43	7.52	-102.65
N#CCCC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198170	1	35	-2.0	-116.90	317.75	5.24	-111.66
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCC2)S1)C12CC3CC(CC(C3)C1)C2	REAL300013198171	1	52	-2.0	-135.75	390.27	8.82	-126.93
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198172	1	44	-2.0	-128.43	381.28	8.15	-120.28
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198173	1	38	-2.0	-123.57	338.44	7.97	-115.60
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198174	1	49	-2.0	-132.16	370.80	8.17	-123.99
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013198175	1	40	-2.0	-121.23	367.90	6.35	-114.88
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013198176	1	42	-2.0	-134.86	353.46	6.68	-128.18
C=CCN(C(=O)[N-]C1=NC(C)=C(C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013198177	1	44	-2.0	-106.53	371.61	9.66	-96.87
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300013198178	1	37	-2.0	-117.40	346.41	6.35	-111.05
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300013198179	1	43	-2.0	-121.54	374.39	8.09	-113.45
CC1=C(C)SC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013198180	1	43	-2.0	-117.85	352.91	6.22	-111.63
CC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013198181	1	40	-2.0	-118.07	343.83	8.78	-109.29
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300013198182	1	37	-2.0	-122.58	330.15	5.77	-116.81
CC1=C(C)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013198183	1	30	-2.0	-108.91	288.51	3.71	-105.20
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300013198184	1	40	-2.0	-125.26	354.46	7.42	-117.84
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300013198185	1	35	-2.0	-115.09	299.79	4.81	-110.28
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(C)S1	REAL300013198186	1	37	-2.0	-109.22	316.76	4.65	-104.57
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(C)S1	REAL300013198187	1	43	-2.0	-115.78	354.01	8.79	-106.99
CC1=C(C)SC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300013198188	1	33	-2.0	-109.84	312.25	6.26	-103.58
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013198189	1	40	-2.0	-119.36	326.32	5.22	-114.14
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013198190	1	35	-2.0	-119.86	319.49	2.32	-117.54
CC1=C(C)SC([N-]C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=N1	REAL300013198191	1	37	-2.0	-111.06	364.42	7.05	-104.01
CC1=C(C)SC([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])=N1	REAL300013198192	1	41	-2.0	-110.92	344.24	6.01	-104.91
CC1=C(C)SC([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=N1	REAL300013198193	1	41	-2.0	-130.58	350.79	9.81	-120.77
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013198194	1	38	-2.0	-118.56	317.08	2.81	-115.75
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300013198195	1	34	-2.0	-112.31	321.43	5.21	-107.10
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300013198196	1	34	-2.0	-112.86	330.72	5.70	-107.16
COC1CCN(C(=O)[N-]C2=NC(C)=C(C)S2)C(C(=O)[O-])C1	REAL300013198197	1	38	-2.0	-128.72	315.76	5.55	-123.17
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300013198198	1	38	-2.0	-115.05	317.05	2.82	-112.23
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=N1	REAL300013198199	1	37	-2.0	-115.36	335.46	5.78	-109.58
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300013198200	1	39	-2.0	-120.85	344.41	5.01	-115.84
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300013198201	1	40	-2.0	-124.40	351.58	6.41	-117.99
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=N1	REAL300013198202	1	40	-2.0	-124.32	347.18	6.28	-118.04
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=C(C)S2)C(=O)[O-])C=C1O	REAL300013198203	1	39	-2.0	-119.74	349.00	2.21	-117.53
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=C(C)S2)C(=O)[O-])C=C1Cl	REAL300013198204	1	38	-2.0	-118.51	354.25	4.95	-113.56
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013198205	1	34	-2.0	-115.33	325.45	5.61	-109.72
CC1=C(C)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013198206	1	32	-2.0	-119.67	285.25	6.39	-113.28
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300013198207	1	40	-2.0	-122.13	307.76	5.79	-116.34
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013198208	1	37	-2.0	-116.51	330.96	6.02	-110.49
CC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013198209	1	37	-2.0	-112.68	325.55	7.84	-104.84
CC1=C(C)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013198210	1	34	-2.0	-122.24	308.51	5.17	-117.07
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013198211	1	34	-2.0	-122.33	308.74	5.09	-117.24
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013198212	1	37	-2.0	-116.51	330.96	6.02	-110.49
CC1=C(C)SC([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300013198213	1	38	-2.0	-129.15	323.22	8.49	-120.66
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300013198214	1	31	-2.0	-119.30	300.12	4.24	-115.06
CC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=N1	REAL300013198215	1	37	-2.0	-108.41	342.33	8.36	-100.05
CC1=C(C)SC([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013198216	1	41	-2.0	-122.41	360.06	6.10	-116.31
COC1=CC(CN(CC(=O)[O-])C(=O)[N-]C2=NC(C)=C(C)S2)=CC(OC)=C1	REAL300013198217	1	45	-2.0	-122.04	390.55	6.74	-115.30
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300013198218	1	34	-2.0	-115.36	330.01	5.71	-109.65
CC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300013198219	1	37	-2.0	-108.12	332.01	7.91	-100.21
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013198220	1	38	-2.0	-124.92	326.70	6.18	-118.74
CC1=C(C)SC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300013198221	1	37	-2.0	-106.17	352.65	8.58	-97.59
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300013198222	1	34	-2.0	-120.78	319.37	5.30	-115.48
CC1=C(C)SC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013198223	1	37	-2.0	-123.87	316.82	5.80	-118.07
CCCCCCC(C)(NC(=O)[N-]C1=NC(C)=C(C)S1)C(=O)[O-]	REAL300013198224	1	45	-2.0	-118.34	362.70	6.39	-111.95
CC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)=N1	REAL300013198225	1	38	-2.0	-119.45	353.70	5.98	-113.47
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013198226	1	34	-2.0	-115.33	325.45	5.61	-109.72
CC1=C(C)SC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013198227	1	40	-2.0	-121.14	313.51	6.88	-114.26
CC1=C(C)SC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013198228	1	40	-2.0	-118.93	348.82	8.69	-110.24
CC1=C(C)SC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013198229	1	37	-2.0	-116.52	317.79	6.98	-109.54
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300013198230	1	38	-2.0	-129.41	323.65	6.09	-123.32
CC1=C(C)SC([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013198231	1	41	-2.0	-122.19	364.67	6.03	-116.16
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300013198232	1	35	-2.0	-121.99	319.73	2.23	-119.76
CC1=C(C)SC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013198233	1	40	-2.0	-118.93	348.82	8.69	-110.24
CC1=C(C)SC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013198234	1	40	-2.0	-121.14	313.51	6.88	-114.26
CCC1CCC(NC(=O)[N-]C2=NC(C)=C(C)S2)(C(=O)[O-])CC1	REAL300013198235	1	43	-2.0	-121.78	342.60	6.45	-115.33
CC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013198236	1	38	-2.0	-115.97	317.52	5.02	-110.95
CC1=C(C)SC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300013198237	1	37	-2.0	-114.28	348.75	6.78	-107.50
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300013198238	1	34	-2.0	-122.41	319.51	5.56	-116.85
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300013198239	1	34	-2.0	-126.09	312.91	5.25	-120.84
CC1=C(C)SC([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013198240	1	38	-2.0	-121.47	325.73	7.91	-113.56
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=C(C)C(C)=CC=C2)=N1	REAL300013198241	1	40	-2.0	-123.14	337.80	6.13	-117.01
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=C(C)S2)C(=O)[O-])C=C1F	REAL300013198242	1	38	-2.0	-118.71	344.44	4.46	-114.25
CC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013198243	1	40	-2.0	-107.31	364.34	8.84	-98.47
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C)=C(C)S1)C1CC1	REAL300013198244	1	38	-2.0	-107.65	319.98	6.26	-101.39
CC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)=N1	REAL300013198245	1	37	-2.0	-115.97	352.84	8.74	-107.23
CCCN(C(=O)[N-]C1=NC(C)=C(C)S1)C(COC)C(=O)[O-]	REAL300013198246	1	40	-2.0	-119.72	336.96	6.67	-113.05
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=C(C)S2)C(=O)[O-])C=C1	REAL300013198247	1	38	-2.0	-119.78	338.21	4.39	-115.39
CCC(COC)(NC(=O)[N-]C1=NC(C)=C(C)S1)C(=O)[O-]	REAL300013198248	1	37	-2.0	-121.41	311.63	3.49	-117.92
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)=N1	REAL300013198249	1	37	-2.0	-116.18	318.62	1.12	-115.06
CCC(NC(=O)[N-]C1=NC(C)=C(C)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013198250	1	40	-2.0	-118.84	350.18	7.15	-111.69
CCC(NC(=O)[N-]C1=NC(C)=C(C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013198251	1	40	-2.0	-125.14	333.56	6.67	-118.47
COC1CCCC(C(NC(=O)[N-]C2=NC(C)=C(C)S2)C(=O)[O-])C1	REAL300013198252	1	44	-2.0	-121.61	358.80	4.22	-117.39
COC1(CC(NC(=O)[N-]C2=NC(C)=C(C)S2)C(=O)[O-])CCC1	REAL300013198253	1	41	-2.0	-119.02	342.68	4.43	-114.59
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC(C)=C(C)S2)=C1	REAL300013198254	1	41	-2.0	-128.49	349.51	6.22	-122.27
CC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013198255	1	38	-2.0	-115.97	317.52	5.02	-110.95
CC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300013198256	1	40	-2.0	-117.45	326.35	7.39	-110.06
CC1=C(C)SC([N-]C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)=N1	REAL300013198257	1	40	-2.0	-129.35	319.39	6.03	-123.32
COC1=CC=CC(C(NC(=O)[N-]C2=NC(C)=C(C)S2)C(=O)[O-])=C1	REAL300013198258	1	38	-2.0	-123.85	338.21	4.38	-119.47
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)=N1	REAL300013198259	1	34	-2.0	-121.60	323.86	5.59	-116.01
CC1=C(C)SC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300013198260	1	35	-2.0	-117.78	308.32	6.03	-111.75
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(C)=C(C)S2)C(=O)[O-])=C1	REAL300013198261	1	38	-2.0	-123.92	338.23	4.37	-119.55
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(C)S2)C1	REAL300013198262	1	40	-2.0	-122.74	339.89	6.96	-115.78
COC1=CC=CC(CC(NC(=O)[N-]C2=NC(C)=C(C)S2)C(=O)[O-])=C1	REAL300013198263	1	41	-2.0	-119.49	360.22	5.40	-114.09
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300013198264	1	43	-2.0	-123.43	330.01	6.01	-117.42
CC1=C(C)SC([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=N1	REAL300013198265	1	40	-2.0	-115.78	350.87	6.65	-109.13
CC1=C(C)SC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300013198266	1	39	-2.0	-123.30	345.08	6.47	-116.83
COC1CN(C(=O)[N-]C2=NC(C)=C(C)S2)C(C)(C(=O)[O-])C1	REAL300013198267	1	38	-2.0	-121.68	323.50	4.51	-117.17
CC1=C(C)SC([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300013198268	1	41	-2.0	-117.95	343.98	3.84	-114.11
C=C(Cl)CC(NC(=O)[N-]C1=NC(C)=C(C)S1)C(=O)[O-]	REAL300013198269	1	31	-2.0	-111.73	301.01	4.09	-107.64
CC1=C(C)SC([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013198270	1	40	-2.0	-115.65	340.56	6.20	-109.45
CC1=C(C)SC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013198271	1	31	-2.0	-112.06	286.14	5.14	-106.92
CC1=C(C)SC([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300013198272	1	41	-2.0	-114.38	339.60	4.56	-109.82
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013198273	1	38	-2.0	-118.56	317.08	2.81	-115.75
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013198274	1	34	-2.0	-122.33	308.74	5.09	-117.24
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300013198275	1	37	-2.0	-117.10	347.46	6.07	-111.03
CC1=C(C)SC([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])=N1	REAL300013198276	1	33	-2.0	-114.32	316.73	3.21	-111.11
CC1=C(C)SC([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])=N1	REAL300013198277	1	42	-2.0	-115.22	354.64	5.85	-109.37
CC1=C(C)SC([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300013198278	1	40	-2.0	-119.61	360.34	6.55	-113.06
CC1=C(C)SC([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300013198279	1	38	-2.0	-121.68	328.77	3.39	-118.29
CC1=C(C)SC([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013198280	1	37	-2.0	-112.31	337.18	6.16	-106.15
CC1=C(C)SC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013198281	1	37	-2.0	-112.35	337.13	6.16	-106.19
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=N1	REAL300013198282	1	40	-2.0	-130.10	349.65	7.25	-122.85
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300013198283	1	38	-2.0	-123.45	352.07	5.06	-118.39
CC1=C(C)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013198284	1	32	-2.0	-119.67	285.25	6.39	-113.28
CC1=C(C)SC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013198285	1	37	-2.0	-123.87	316.82	5.80	-118.07
CC1=C(C)SC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300013198286	1	37	-2.0	-120.82	338.15	6.41	-114.41
CC1=C(C)SC([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013198287	1	39	-2.0	-115.81	330.46	6.61	-109.20
CC1=C(C)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013198288	1	34	-2.0	-122.24	308.51	5.17	-117.07
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013198289	1	37	-2.0	-113.63	347.48	6.09	-107.54
CC1=C(C)SC([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])=N1	REAL300013198291	1	40	-2.0	-120.30	342.98	9.42	-110.88
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013198292	1	36	-2.0	-113.63	326.10	4.26	-109.37
CC1=C(C)SC([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])=N1	REAL300013198293	1	40	-2.0	-110.28	337.53	5.50	-104.78
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1	REAL300013198294	1	33	-2.0	-125.29	304.89	3.58	-121.71
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C)=C(C)S1	REAL300013198295	1	40	-2.0	-124.89	327.79	7.36	-117.53
CC1=C(C)SC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013198296	1	40	-2.0	-121.65	344.22	9.18	-112.47
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013198298	1	36	-2.0	-113.63	326.10	4.26	-109.37
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300013198299	1	33	-2.0	-118.93	303.65	3.30	-115.63
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C)=C(C)S1	REAL300013198301	1	38	-2.0	-123.79	319.20	5.74	-118.05
CC1=C(C)SC([N-]C(=O)N2C3=C(CC2C(=O)[O-])C(C)=CC=C3)=N1	REAL300013198302	0	38	-2.0	-126.09	327.11	8.99	-117.10
CC1=C(C)SC([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])=N1	REAL300013198303	0	41	-2.0	-120.28	338.62	8.51	-111.77
CC1=C(C)SC([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013198304	1	39	-2.0	-114.33	348.63	5.10	-109.23
CC1=C(C)SC([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300013198305	1	33	-2.0	-115.71	317.54	3.02	-112.69
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300013198306	1	37	-2.0	-116.89	349.93	6.44	-110.45
CC1=C(C)SC([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300013198307	1	34	-2.0	-108.42	337.04	4.84	-103.58
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)=N1	REAL300013198308	1	31	-2.0	-113.86	320.79	4.85	-109.01
CC1=C(C)SC([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=N1	REAL300013198309	1	35	-2.0	-116.97	301.55	4.34	-112.63
CC1=C(C)SC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013198310	1	34	-2.0	-122.35	308.72	5.09	-117.26
CC1=C(C)SC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300013198311	1	37	-2.0	-119.76	318.20	4.33	-115.43
CCN(C(=O)[N-]C1=NC(C)=C(C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013198312	1	43	-2.0	-121.74	356.66	9.20	-112.54
CC1=C(C)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N1	REAL300013198313	1	43	-2.0	-121.16	356.06	4.32	-116.84
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300013198314	1	40	-2.0	-124.67	316.55	5.28	-119.39
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=N1	REAL300013198315	1	44	-2.0	-131.50	357.74	7.38	-124.12
CC1=C(C)SC([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N1	REAL300013198316	1	43	-2.0	-121.03	356.47	4.29	-116.74
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)=N1	REAL300013198317	1	48	-2.0	-126.73	408.27	7.21	-119.52
CC1=C(C)SC([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013198318	1	42	-2.0	-126.46	353.05	8.98	-117.48
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=N1	REAL300013198319	1	38	-2.0	-127.84	340.27	5.16	-122.68
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013198320	1	40	-2.0	-117.59	346.17	6.43	-111.16
CC1=C(C)SC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013198321	1	41	-2.0	-117.40	344.44	6.18	-111.22
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=N1	REAL300013198322	1	47	-2.0	-120.25	366.00	5.71	-114.54
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013198323	1	40	-2.0	-119.36	326.32	5.22	-114.14
CC1=C(C)SC([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300013198324	1	41	-2.0	-119.18	344.82	4.74	-114.44
CC1=C(C)SC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300013198325	1	41	-2.0	-127.95	324.47	7.32	-120.63
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=N1	REAL300013198326	1	41	-2.0	-118.25	322.60	3.93	-114.32
CC1=C(C)SC([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013198327	1	40	-2.0	-117.87	361.84	7.57	-110.30
CC1=C(C)SC([N-]C(=O)N2CCC3=C(C=CC=C3C)C2C(=O)[O-])=N1	REAL300013198328	1	41	-2.0	-134.24	339.52	8.92	-125.32
CC1=C(C)SC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013198329	1	41	-2.0	-117.40	344.44	6.18	-111.22
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013198330	1	37	-2.0	-115.38	337.12	6.17	-109.21
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013198331	1	31	-2.0	-114.55	282.14	3.65	-110.90
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300013198332	1	34	-2.0	-113.26	310.48	4.77	-108.49
CC1=C(C)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013198333	1	30	-2.0	-108.91	288.51	3.71	-105.20
CC1=C(C)SC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013198334	1	38	-2.0	-115.34	326.15	3.09	-112.25
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300013198335	1	34	-2.0	-114.88	322.98	5.08	-109.80
COCC(NC(=O)[N-]C1=NC(C)=C(C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013198336	1	41	-2.0	-125.03	349.53	4.96	-120.07
CC1=C(C)SC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013198337	1	40	-2.0	-121.65	344.22	9.18	-112.47
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300013198338	1	37	-2.0	-112.40	352.10	6.72	-105.68
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])=N1	REAL300013198339	1	41	-2.0	-118.67	369.96	5.69	-112.98
CC1=C(C)SC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013198340	1	43	-2.0	-117.85	352.91	6.22	-111.63
CC1=C(C)SC([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013198341	1	40	-2.0	-116.76	353.99	6.81	-109.95
CC1=C(C)SC([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013198342	1	40	-2.0	-116.70	353.74	6.86	-109.84
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300013198343	1	41	-2.0	-120.10	334.37	5.87	-114.23
CC1=C(C)SC([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013198344	1	43	-2.0	-117.70	352.69	6.30	-111.40
CC1=C(C)SC([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013198345	1	43	-2.0	-117.87	352.91	6.22	-111.65
CC1=C(C)SC([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300013198346	1	41	-2.0	-126.85	335.36	7.05	-119.80
CC1=C(C)SC([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300013198347	1	41	-2.0	-126.60	330.90	6.82	-119.78
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)=N1	REAL300013198348	1	41	-2.0	-122.43	373.08	5.63	-116.80
COC1=CC=C(CC(NC(=O)[N-]C2=NC(C)=C(C)S2)C(=O)[O-])C=C1	REAL300013198349	1	41	-2.0	-116.15	360.51	5.33	-110.82
C=CCSCC(NC(=O)[N-]C1=NC(C)=C(C)S1)C(=O)[O-]	REAL300013198350	1	35	-2.0	-115.04	329.65	4.92	-110.12
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=N1	REAL300013198351	1	38	-2.0	-111.46	351.56	6.50	-104.96
CC1=C(C)SC([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=N1	REAL300013198352	1	41	-2.0	-127.83	370.42	6.08	-121.75
COC1=CC=C2NC=C(CC(NC(=O)[N-]C3=NC(C)=C(C)S3)C(=O)[O-])C2=C1	REAL300013198353	1	45	-2.0	-127.93	389.27	5.45	-122.48
COC1(C(NC(=O)[N-]C2=NC(C)=C(C)S2)C(=O)[O-])CCC1	REAL300013198354	1	38	-2.0	-120.65	321.32	3.45	-117.20
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=N1	REAL300013198355	1	40	-2.0	-120.60	333.71	5.93	-114.67
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=N1	REAL300013198356	1	41	-2.0	-125.27	339.99	7.06	-118.21
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300013198357	1	34	-2.0	-122.56	305.71	4.45	-118.11
CC1=C(C)SC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013198358	0	34	-2.0	-117.19	305.84	5.41	-111.78
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013198358	1	33	-3.0	-197.71	302.58	4.20	-193.51
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300013198359	1	46	-2.0	-122.25	384.73	7.49	-114.76
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300013198360	1	43	-2.0	-122.10	368.75	7.10	-115.00
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(C)=C(C)S2)C(=O)[O-])C=C1	REAL300013198361	1	41	-2.0	-119.58	359.85	5.38	-114.20
CC1=C(C)SC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300013198362	1	41	-2.0	-129.96	329.25	7.98	-121.98
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300013198363	1	41	-2.0	-118.10	344.07	6.64	-111.46
CC1=C(C)SC([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013198364	1	41	-2.0	-122.83	351.18	6.04	-116.79
CC1=C(C)SC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=N1	REAL300013198365	1	37	-2.0	-114.82	344.97	6.01	-108.81
CC1=C(C)SC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300013198366	1	38	-2.0	-128.50	322.81	6.56	-121.94
CC1=C(C)SC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013198367	1	38	-2.0	-115.34	326.15	3.09	-112.25
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])=N1	REAL300013198368	1	37	-2.0	-114.78	352.25	6.66	-108.12
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(C)S2)C1	REAL300013198369	1	35	-2.0	-118.54	316.24	6.15	-112.39
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300013198370	1	38	-2.0	-124.46	307.81	5.77	-118.69
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300013198371	1	38	-2.0	-122.61	316.34	5.23	-117.38
CC1=C(C)SC([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=N1	REAL300013198372	1	44	-2.0	-128.32	349.67	7.51	-120.81
CC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013198373	1	37	-2.0	-112.68	325.55	7.84	-104.84
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300013198374	1	44	-2.0	-122.96	382.94	8.48	-114.48
CC1=C(C)SC([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=N1	REAL300013198375	1	38	-2.0	-119.51	334.35	8.32	-111.19
CC1=C(C)SC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013198376	1	40	-2.0	-115.99	355.56	6.80	-109.19
CC1=C(C)SC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300013198377	1	34	-2.0	-118.12	296.50	6.55	-111.57
CC1=C(C)SC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013198378	1	31	-2.0	-119.04	284.87	5.12	-113.92
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013198379	1	37	-2.0	-115.38	337.12	6.17	-109.21
CC1=C(C)SC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013198380	1	34	-2.0	-114.38	321.60	5.04	-109.34
CC1=C(C)SC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300013198381	1	34	-2.0	-111.75	302.37	5.66	-106.09
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=N1	REAL300013198382	1	38	-2.0	-120.76	335.53	5.67	-115.09
CC1=C(C)SC([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=N1	REAL300013198383	1	42	-2.0	-129.10	363.89	7.90	-121.20
CC1=C(C)SC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013198384	1	34	-2.0	-114.38	321.60	5.04	-109.34
CC1=C(C)SC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013198385	1	38	-2.0	-126.55	312.31	6.20	-120.35
CC1=C(C)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013198386	1	35	-2.0	-119.28	319.51	2.31	-116.97
COCCCC(NC(=O)[N-]C1=NC(C)=C(C)S1)C(=O)[O-]	REAL300013198387	1	37	-2.0	-115.35	326.91	2.87	-112.48
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300013198388	1	38	-2.0	-121.24	323.08	3.16	-118.08
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300013198389	1	34	-2.0	-117.75	329.43	5.75	-112.00
CC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013198390	1	38	-2.0	-124.92	326.70	6.18	-118.74
CC1=C(C)SC([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=N1	REAL300013198391	1	37	-2.0	-113.85	319.36	6.67	-107.18
CC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=N1	REAL300013198392	1	48	-2.0	-125.51	365.13	7.12	-118.39
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])=N1	REAL300013198393	1	36	-2.0	-112.84	347.10	4.79	-108.05
CC1=C(C)SC([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013198394	1	40	-2.0	-119.04	356.12	6.44	-112.60
CC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1	REAL300013198395	1	34	-2.0	-115.84	313.29	6.27	-109.57
CC1=C(C)SC([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=N1	REAL300013198396	1	45	-2.0	-137.41	351.19	7.42	-129.99
CC1=C(C)SC([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300013198397	1	36	-2.0	-112.84	342.75	4.65	-108.19
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(C)S2)C1	REAL300013198398	1	38	-2.0	-124.50	328.30	4.94	-119.56
C=CCN(C(=O)[N-]C1=NC(C)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013198399	1	41	-2.0	-103.74	352.74	8.96	-94.78
CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300013198400	1	34	-2.0	-115.05	326.87	5.56	-109.49
CC1=CSC([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300013198401	1	40	-2.0	-118.61	355.76	7.31	-111.30
CC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013198402	1	40	-2.0	-114.47	333.23	5.53	-108.94
CC1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013198403	1	37	-2.0	-115.11	324.96	8.07	-107.04
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300013198404	1	34	-2.0	-119.44	311.27	5.05	-114.39
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300013198405	1	37	-2.0	-122.18	335.60	6.72	-115.46
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300013198406	1	32	-2.0	-112.11	280.93	4.10	-108.01
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C)=CS1	REAL300013198407	1	40	-2.0	-112.96	335.16	8.08	-104.88
CC1=CSC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300013198408	1	30	-2.0	-106.85	293.40	5.55	-101.30
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013198409	1	32	-2.0	-116.27	300.65	1.59	-114.68
CC1=CSC([N-]C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=N1	REAL300013198410	1	34	-2.0	-108.18	345.56	6.34	-101.84
CC1=CSC([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])=N1	REAL300013198411	1	38	-2.0	-108.03	325.38	5.31	-102.72
CC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=N1	REAL300013198412	1	38	-2.0	-127.05	329.11	8.66	-118.39
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300013198413	1	31	-2.0	-109.35	302.61	4.49	-104.86
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300013198414	1	31	-2.0	-109.99	312.50	4.94	-105.05
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=N1	REAL300013198415	1	34	-2.0	-112.31	316.36	5.15	-107.16
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300013198416	1	36	-2.0	-117.63	325.80	4.21	-113.42
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300013198417	1	37	-2.0	-121.39	332.68	5.70	-115.69
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=N1	REAL300013198418	1	37	-2.0	-121.06	328.09	5.66	-115.40
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1O	REAL300013198419	1	36	-2.0	-116.84	330.14	1.50	-115.34
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1Cl	REAL300013198420	1	35	-2.0	-115.50	335.43	4.23	-111.27
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013198421	1	31	-2.0	-112.34	306.35	4.99	-107.35
CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013198422	1	34	-2.0	-113.38	311.27	5.34	-108.04
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013198423	1	34	-2.0	-114.80	312.75	7.42	-107.38
CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013198424	1	34	-2.0	-113.38	311.27	5.34	-108.04
CC1=CSC([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300013198425	1	35	-2.0	-126.31	304.73	7.85	-118.46
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=N1	REAL300013198426	1	34	-2.0	-109.75	329.50	7.94	-101.81
CC1=CSC([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013198427	1	38	-2.0	-119.09	340.34	5.43	-113.66
COC1=CC(CN(CC(=O)[O-])C(=O)[N-]C2=NC(C)=CS2)=CC(OC)=C1	REAL300013198428	1	42	-2.0	-118.95	371.75	6.03	-112.92
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300013198429	1	31	-2.0	-112.32	310.91	5.09	-107.23
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300013198430	1	34	-2.0	-109.36	319.18	7.49	-101.87
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013198431	1	35	-2.0	-121.87	307.84	5.47	-116.40
CC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300013198432	1	34	-2.0	-102.55	331.70	7.31	-95.24
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300013198433	1	31	-2.0	-118.08	300.75	4.54	-113.54
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013198434	1	34	-2.0	-120.76	297.98	5.09	-115.67
CCCCCCC(C)(NC(=O)[N-]C1=NC(C)=CS1)C(=O)[O-]	REAL300013198435	1	42	-2.0	-115.35	343.86	5.68	-109.67
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)=N1	REAL300013198436	1	35	-2.0	-116.41	334.84	5.28	-111.13
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013198437	1	31	-2.0	-112.34	306.35	4.99	-107.35
CC1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013198438	1	37	-2.0	-114.72	335.17	8.20	-106.52
CC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013198439	1	34	-2.0	-113.07	299.43	6.36	-106.71
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300013198440	1	35	-2.0	-125.81	304.58	5.35	-120.46
CC1=CSC([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013198441	1	38	-2.0	-119.13	345.81	5.32	-113.81
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300013198442	1	32	-2.0	-118.27	300.93	1.52	-116.75
CC1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013198443	1	37	-2.0	-114.72	335.17	8.20	-106.52
CCC1CCC(NC(=O)[N-]C2=NC(C)=CS2)(C(=O)[O-])CC1	REAL300013198444	1	40	-2.0	-118.93	322.30	5.68	-113.25
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300013198445	1	34	-2.0	-111.42	329.88	6.07	-105.35
CC1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC(Br)=C2)=N1	REAL300013198446	1	37	-2.0	-110.55	345.81	8.90	-101.65
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300013198447	1	31	-2.0	-119.25	300.65	4.85	-114.40
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300013198448	1	31	-2.0	-122.98	294.05	4.54	-118.44
CC1=CSC([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013198449	1	35	-2.0	-118.52	306.88	7.19	-111.33
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=N1	REAL300013198450	1	37	-2.0	-120.30	320.63	5.51	-114.79
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1F	REAL300013198451	1	35	-2.0	-115.54	325.38	3.83	-111.71
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013198452	1	37	-2.0	-108.58	351.50	8.42	-100.16
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)=N1	REAL300013198453	1	34	-2.0	-110.72	334.06	8.03	-102.69
CCCN(C(=O)[N-]C1=NC(C)=CS1)C(COC)C(=O)[O-]	REAL300013198454	1	37	-2.0	-109.71	313.99	4.82	-104.89
COC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1	REAL300013198455	1	35	-2.0	-116.66	319.16	3.76	-112.90
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)=N1	REAL300013198456	1	34	-2.0	-113.47	299.71	0.41	-113.06
CCC(NC(=O)[N-]C1=NC(C)=CS1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013198457	1	37	-2.0	-115.83	331.39	6.48	-109.35
CCC(NC(=O)[N-]C1=NC(C)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013198458	1	37	-2.0	-122.14	314.70	5.96	-116.18
COC1CCCC(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C1	REAL300013198459	1	41	-2.0	-118.59	339.94	3.51	-115.08
COC1(CC(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])CCC1	REAL300013198460	1	38	-2.0	-116.40	323.69	3.64	-112.76
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC(C)=CS2)=C1	REAL300013198461	1	38	-2.0	-115.49	328.94	5.66	-109.83
COC1=CC=CC(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])=C1	REAL300013198462	1	35	-2.0	-120.83	319.17	3.75	-117.08
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)=N1	REAL300013198463	1	31	-2.0	-118.57	305.00	4.88	-113.69
CC1=CSC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300013198464	1	32	-2.0	-114.90	289.47	5.32	-109.58
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])=C1	REAL300013198465	1	35	-2.0	-120.65	318.76	3.71	-116.94
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C)=CS2)C1	REAL300013198466	1	37	-2.0	-119.78	321.08	6.27	-113.51
COC1=CC=CC(CC(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])=C1	REAL300013198467	1	38	-2.0	-116.40	341.36	4.69	-111.71
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300013198468	1	40	-2.0	-120.50	311.16	5.30	-115.20
CC1=CSC([N-]C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])=N1	REAL300013198469	1	31	-2.0	-113.11	316.19	5.09	-108.02
CC1=CSC([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=N1	REAL300013198470	1	37	-2.0	-112.94	332.03	5.94	-107.00
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300013198471	1	36	-2.0	-120.27	326.19	5.76	-114.51
CC1=CSC([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300013198472	1	38	-2.0	-114.22	320.65	3.89	-110.33
CC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=C(Br)S2)=N1	REAL300013198473	1	31	-2.0	-103.23	313.65	6.06	-97.17
CC1=CSC([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013198474	1	37	-2.0	-112.74	321.71	5.49	-107.25
CC1=CSC([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300013198475	1	38	-2.0	-112.42	324.35	3.14	-109.28
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300013198476	1	34	-2.0	-114.17	328.36	5.45	-108.72
CC1=CSC([N-]C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300013198477	1	38	-2.0	-108.89	357.25	5.14	-103.75
CC1=CSC([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])=N1	REAL300013198478	1	30	-2.0	-111.55	298.71	2.47	-109.08
CC1=CSC([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300013198479	1	37	-2.0	-116.59	341.48	5.84	-110.75
CC1=CSC([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013198480	1	34	-2.0	-109.37	318.27	5.45	-103.92
CC1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013198481	1	34	-2.0	-109.41	318.27	5.45	-103.96
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=N1	REAL300013198482	1	37	-2.0	-126.90	330.61	6.53	-120.37
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300013198483	1	35	-2.0	-120.39	333.22	4.35	-116.04
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013198484	1	34	-2.0	-120.76	297.98	5.09	-115.67
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300013198485	1	34	-2.0	-117.86	319.26	5.70	-112.16
CC1=CSC([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013198486	1	36	-2.0	-113.03	311.60	5.90	-107.13
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013198487	1	34	-2.0	-110.67	328.35	5.46	-105.21
CC1=CSC([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])=N1	REAL300013198488	1	37	-2.0	-110.90	316.97	7.26	-103.64
CC1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013198489	1	33	-2.0	-110.74	307.28	3.54	-107.20
CC1=CSC([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])=N1	REAL300013198490	1	37	-2.0	-107.47	318.50	4.65	-102.82
CC1=CSC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013198491	1	37	-2.0	-110.82	317.52	7.38	-103.44
CC1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013198493	1	33	-2.0	-110.74	307.28	3.54	-107.20
CC1=CSC([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=N1	REAL300013198495	0	35	-2.0	-123.02	308.25	8.28	-114.74
CC1=CSC([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])=N1	REAL300013198496	0	38	-2.0	-117.31	318.94	7.75	-109.56
CC1=CSC([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013198497	1	36	-2.0	-111.45	330.01	4.32	-107.13
CC1=CSC([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300013198498	1	30	-2.0	-112.80	298.68	2.31	-110.49
CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300013198499	1	34	-2.0	-114.58	330.41	5.63	-108.95
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C(Br)=C2)=N1	REAL300013198500	1	32	-2.0	-113.97	321.09	2.28	-111.69
CC1=CSC([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300013198501	1	31	-2.0	-105.59	317.95	4.19	-101.40
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)=N1	REAL300013198502	1	28	-2.0	-110.88	302.17	4.08	-106.80
CC1=CSC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300013198503	1	34	-2.0	-119.77	303.68	3.66	-116.11
CC1=CSC([N-]C(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])=N1	REAL300013198504	1	45	-2.0	-116.60	402.52	8.22	-108.38
CCN(C(=O)[N-]C1=NC(C)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013198505	1	40	-2.0	-118.93	337.58	8.47	-110.46
CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N1	REAL300013198506	1	40	-2.0	-118.11	337.20	3.61	-114.50
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=N1	REAL300013198507	1	41	-2.0	-129.06	338.56	6.61	-122.45
CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N1	REAL300013198508	1	40	-2.0	-117.89	337.61	3.59	-114.30
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)=N1	REAL300013198509	1	45	-2.0	-121.69	391.13	6.62	-115.07
CC1=CSC([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013198510	1	39	-2.0	-123.52	334.28	8.14	-115.38
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=N1	REAL300013198511	1	35	-2.0	-125.40	321.81	4.45	-120.95
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013198512	1	37	-2.0	-114.23	326.15	5.64	-108.59
CC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013198513	1	38	-2.0	-114.38	326.31	5.51	-108.87
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=N1	REAL300013198514	1	44	-2.0	-117.36	347.15	5.00	-112.36
CC1=CSC([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300013198515	1	38	-2.0	-115.94	325.72	4.11	-111.83
CC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300013198516	1	38	-2.0	-124.47	301.80	6.17	-118.30
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=N1	REAL300013198517	1	38	-2.0	-115.37	303.78	3.23	-112.14
CC1=CSC([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013198518	1	37	-2.0	-115.00	343.22	6.79	-108.21
CC1=CSC([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])=N1	REAL300013198519	1	38	-2.0	-119.44	324.45	7.68	-111.76
CC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013198520	1	38	-2.0	-114.38	326.31	5.51	-108.87
CC1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013198521	1	34	-2.0	-111.09	318.33	5.45	-105.64
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300013198522	1	31	-2.0	-108.56	294.21	3.81	-104.75
CC1=CSC([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300013198523	1	31	-2.0	-111.84	303.78	4.43	-107.41
COCC(NC(=O)[N-]C1=NC(C)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013198524	1	38	-2.0	-122.26	330.89	4.28	-117.98
CC1=CSC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013198525	1	37	-2.0	-110.82	317.52	7.38	-103.44
CC1=CSC([N-]C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300013198526	1	34	-2.0	-109.51	333.40	5.94	-103.57
CC1=CSC([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])=N1	REAL300013198527	1	38	-2.0	-115.67	351.10	4.98	-110.69
CC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013198528	1	40	-2.0	-114.47	333.23	5.53	-108.94
CC1=CSC([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013198529	1	37	-2.0	-113.78	335.13	6.09	-107.69
CC1=CSC([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013198530	1	37	-2.0	-113.75	335.13	6.09	-107.66
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300013198531	1	38	-2.0	-117.01	315.53	5.16	-111.85
CC1=CSC([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013198532	1	40	-2.0	-114.72	334.10	5.51	-109.21
CC1=CSC([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013198533	1	40	-2.0	-114.76	334.06	5.50	-109.26
CC1=CSC([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300013198534	1	38	-2.0	-123.57	316.51	6.34	-117.23
CC1=CSC([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300013198535	1	38	-2.0	-123.76	313.17	6.05	-117.71
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)=N1	REAL300013198536	1	38	-2.0	-119.47	354.22	4.92	-114.55
COC1=CC=C(CC(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1	REAL300013198537	1	38	-2.0	-113.56	340.76	4.65	-108.91
C=CCSCC(NC(=O)[N-]C1=NC(C)=CS1)C(=O)[O-]	REAL300013198538	1	32	-2.0	-112.28	311.46	4.17	-108.11
CC1=CSC([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=N1	REAL300013198539	1	35	-2.0	-108.73	332.91	5.72	-103.01
CC1=CSC([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=N1	REAL300013198540	1	38	-2.0	-125.98	344.00	5.58	-120.40
COC1=CC=C2NC=C(CC(NC(=O)[N-]C3=NC(C)=CS3)C(=O)[O-])C2=C1	REAL300013198541	1	42	-2.0	-124.86	370.39	4.75	-120.11
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=N1	REAL300013198542	1	37	-2.0	-114.46	315.64	5.26	-109.20
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=N1	REAL300013198543	1	38	-2.0	-122.11	321.20	6.34	-115.77
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300013198544	1	31	-2.0	-114.15	284.96	3.64	-110.51
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300013198545	1	43	-2.0	-119.08	365.82	6.79	-112.29
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300013198546	1	40	-2.0	-118.97	350.11	6.30	-112.67
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(C)=CS2)C(=O)[O-])C=C1	REAL300013198547	1	38	-2.0	-116.55	341.23	4.59	-111.96
CC1=CSC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300013198548	1	38	-2.0	-126.83	310.56	7.26	-119.57
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300013198549	1	38	-2.0	-115.78	330.34	6.28	-109.50
CC1=CSC([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013198550	1	38	-2.0	-119.96	332.32	5.33	-114.63
CC1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=N1	REAL300013198551	1	34	-2.0	-111.94	325.27	5.32	-106.62
CC1=CSC([N-]C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])=N1	REAL300013198552	1	34	-2.0	-110.87	333.21	6.00	-104.87
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=CS2)C1	REAL300013198553	1	32	-2.0	-115.65	297.61	5.44	-110.21
CC1=CSC([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=N1	REAL300013198554	1	41	-2.0	-124.98	330.82	6.80	-118.18
CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013198555	1	34	-2.0	-114.80	312.75	7.42	-107.38
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300013198556	1	41	-2.0	-119.87	364.08	7.77	-112.10
CC1=CSC([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=N1	REAL300013198557	1	35	-2.0	-116.56	315.46	7.62	-108.94
CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013198558	1	37	-2.0	-113.08	336.72	6.09	-106.99
CC1=CSC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300013198559	1	31	-2.0	-115.30	277.66	5.84	-109.46
CC1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013198560	1	34	-2.0	-111.09	318.33	5.45	-105.64
CC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013198561	1	31	-2.0	-111.51	302.99	4.26	-107.25
CC1=CSC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300013198562	1	31	-2.0	-113.24	283.91	5.04	-108.20
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=N1	REAL300013198563	1	35	-2.0	-117.88	316.67	4.96	-112.92
CC1=CSC([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=N1	REAL300013198564	1	39	-2.0	-119.53	343.34	6.51	-113.02
CC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013198565	1	31	-2.0	-111.51	302.99	4.26	-107.25
CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013198566	1	32	-2.0	-116.29	300.92	1.53	-114.76
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300013198567	1	31	-2.0	-114.87	310.96	5.07	-109.80
CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013198568	1	35	-2.0	-121.87	307.84	5.47	-116.40
CC1=CSC([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=N1	REAL300013198569	1	34	-2.0	-105.16	297.01	5.50	-99.66
CC1=CSC([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=N1	REAL300013198570	1	45	-2.0	-121.35	344.67	6.42	-114.93
CC1=CSC([N-]C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])=N1	REAL300013198571	1	33	-2.0	-109.92	328.24	4.08	-105.84
CC1=CSC([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013198572	1	37	-2.0	-116.19	337.51	5.66	-110.53
CC1=CSC([N-]C(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])=N1	REAL300013198573	1	35	-2.0	-111.59	328.73	7.64	-103.95
CC1=CSC([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=N1	REAL300013198574	1	42	-2.0	-124.83	327.87	6.37	-118.46
CC1=CSC([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300013198575	1	33	-2.0	-109.92	323.65	4.00	-105.92
O=C([O-])C1CC(NC(=O)NC2=CN(CC3CCCO3)N=C2)(C(=O)[O-])C1	REAL300013199157	0	43	-2.0	-124.96	359.93	4.68	-120.28
COCCN1C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013199413	0	39	-2.0	-120.06	336.78	3.48	-116.58
C=CCN(C(=O)[N-]C1=NC(C2CC2)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013199462	1	45	-2.0	-106.19	381.11	10.35	-95.84
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199463	1	38	-2.0	-116.01	354.48	6.87	-109.14
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199464	1	44	-2.0	-120.25	384.80	8.79	-111.46
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199465	1	44	-2.0	-116.35	362.85	7.04	-109.31
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199466	1	41	-2.0	-117.19	354.03	9.50	-107.69
CC1=CC=C(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])C=C1	REAL300013199467	1	38	-2.0	-121.22	340.30	6.53	-114.69
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199468	1	31	-2.0	-107.64	298.45	4.55	-103.09
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC2=CC=CC=C2C=C1	REAL300013199469	1	41	-2.0	-123.93	364.64	8.19	-115.74
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CCSCC1	REAL300013199470	1	36	-2.0	-113.92	309.97	5.57	-108.35
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199471	1	38	-2.0	-108.27	327.26	5.39	-102.88
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199472	1	44	-2.0	-114.96	364.20	9.56	-105.40
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199473	1	34	-2.0	-108.77	322.44	7.03	-101.74
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1CCCCC1	REAL300013199474	1	41	-2.0	-115.98	338.57	6.20	-109.78
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=C(O)C=C1	REAL300013199475	1	36	-2.0	-118.50	329.67	3.09	-115.41
CN(C(=O)[N-]C1=NC(C2CC2)=CS1)C(COC1CCC1)C(=O)[O-]	REAL300013199476	1	42	-2.0	-109.70	354.42	6.77	-102.93
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199477	1	42	-2.0	-129.52	358.15	10.13	-119.39
C=CCOCC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199478	1	36	-2.0	-117.07	329.38	3.57	-113.50
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199479	1	36	-2.0	-131.00	303.13	4.57	-126.43
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1CCOCC1	REAL300013199480	1	39	-2.0	-114.74	332.79	3.82	-110.92
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=C(F)C(F)=C1	REAL300013199481	1	35	-2.0	-110.96	331.60	5.98	-104.98
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=C(Cl)C(F)=C1	REAL300013199482	1	35	-2.0	-111.58	340.89	6.46	-105.12
COC1CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)C(C(=O)[O-])C1	REAL300013199483	1	39	-2.0	-127.31	326.02	6.34	-120.97
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1CCCOC1	REAL300013199484	1	39	-2.0	-113.68	327.23	3.59	-110.09
CC1CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)C(C(=O)[O-])C1	REAL300013199485	1	38	-2.0	-126.94	309.56	7.50	-119.44
CC1=CC(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])=CC=C1F	REAL300013199486	1	38	-2.0	-113.95	345.65	6.55	-107.40
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=C2OCCC2=C1	REAL300013199487	1	40	-2.0	-119.29	354.83	5.69	-113.60
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])=C1	REAL300013199488	1	41	-2.0	-122.89	361.11	7.22	-115.67
CC1=CC=C(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])C=C1C	REAL300013199489	1	41	-2.0	-122.76	356.72	7.10	-115.66
COC1=CC=C(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])C=C1O	REAL300013199490	1	40	-2.0	-118.46	359.18	2.98	-115.48
COC1=CC=C(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])C=C1Cl	REAL300013199491	1	39	-2.0	-117.24	364.42	5.72	-111.52
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=C(Cl)C=C1	REAL300013199492	1	35	-2.0	-113.97	335.39	6.46	-107.51
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199493	1	33	-2.0	-118.22	295.30	7.11	-111.11
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CCCCC1	REAL300013199494	1	38	-2.0	-120.33	312.28	5.91	-114.42
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CCCCCC1	REAL300013199495	1	41	-2.0	-121.02	317.93	6.56	-114.46
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199496	1	38	-2.0	-115.11	340.31	6.81	-108.30
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199497	1	38	-2.0	-116.81	341.81	8.90	-107.91
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC=C1	REAL300013199498	1	35	-2.0	-120.84	318.70	5.93	-114.91
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC=C1	REAL300013199499	1	35	-2.0	-120.86	318.89	5.86	-115.00
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199500	1	38	-2.0	-115.11	340.31	6.81	-108.30
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199501	1	39	-2.0	-127.64	333.36	9.20	-118.44
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CS1	REAL300013199502	1	32	-2.0	-117.85	310.52	4.93	-112.92
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CCCCC1	REAL300013199503	1	38	-2.0	-120.33	312.28	5.91	-114.42
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199504	1	38	-2.0	-107.49	352.48	9.13	-98.36
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199505	1	42	-2.0	-121.03	370.24	6.86	-114.17
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)[N-]C2=NC(C3CC3)=CS2)=C1	REAL300013199506	1	46	-2.0	-120.98	400.79	7.50	-113.48
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=C(Br)C=C1	REAL300013199507	1	35	-2.0	-113.99	339.95	6.57	-107.42
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199508	1	38	-2.0	-107.33	342.16	8.67	-98.66
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CC2=CC=CC=C2C1	REAL300013199509	1	39	-2.0	-123.59	336.88	6.95	-116.64
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC(F)=CC=C1F	REAL300013199510	1	35	-2.0	-120.09	329.73	6.02	-114.07
CC(NC(=O)[N-]C1=NC(C2CC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013199511	1	38	-2.0	-122.62	327.03	6.56	-116.06
CCCCCCC(C)(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199512	1	46	-2.0	-117.15	372.90	7.15	-110.00
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199513	1	39	-2.0	-114.62	362.58	7.89	-106.73
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=C(Cl)C=C1	REAL300013199514	1	35	-2.0	-113.97	335.39	6.46	-107.51
CN(C(=O)[N-]C1=NC(C2CC2)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013199515	1	41	-2.0	-120.01	323.68	7.65	-112.36
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199516	1	41	-2.0	-116.74	364.21	9.67	-107.07
CN(C(=O)[N-]C1=NC(C2CC2)=CS1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013199517	1	38	-2.0	-114.05	328.62	7.79	-106.26
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CCC2=CC=CC=C21	REAL300013199518	1	39	-2.0	-127.65	333.61	6.83	-120.82
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199519	1	42	-2.0	-120.86	375.09	6.73	-114.13
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199520	1	38	-2.0	-125.45	310.38	7.79	-117.66
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC(O)=C1	REAL300013199521	1	36	-2.0	-119.90	329.96	2.98	-116.92
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199522	1	41	-2.0	-116.74	364.21	9.67	-107.07
CN(C(=O)[N-]C1=NC(C2CC2)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013199523	1	41	-2.0	-120.01	323.68	7.65	-112.36
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC2)=CS1)C1CCCC1	REAL300013199524	1	38	-2.0	-115.09	320.13	7.53	-107.56
CCCCCC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199525	1	40	-2.0	-113.38	347.02	6.17	-107.21
CCC1CCC(NC(=O)[N-]C2=NC(C3CC3)=CS2)(C(=O)[O-])CC1	REAL300013199526	1	44	-2.0	-120.76	351.34	7.15	-113.61
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC2)=CS1)C1CCOCC1	REAL300013199527	1	39	-2.0	-115.09	327.59	5.78	-109.31
CN(C(=O)[N-]C1=NC(C2CC2)=CS1)C1(C(=O)[O-])CCCC1	REAL300013199528	1	38	-2.0	-121.69	310.33	6.70	-114.99
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CC2)=CS1)C1CC1	REAL300013199529	1	38	-2.0	-109.31	317.63	7.80	-101.51
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC=C1Cl	REAL300013199530	1	35	-2.0	-120.85	329.04	6.28	-114.57
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC=C1F	REAL300013199531	1	35	-2.0	-124.33	322.51	5.96	-118.37
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199532	1	39	-2.0	-120.29	335.88	8.61	-111.68
CC1=CC=CC(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])=C1C	REAL300013199533	1	41	-2.0	-122.25	351.70	6.98	-115.27
COC1=CC=C(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])C=C1F	REAL300013199534	1	39	-2.0	-117.26	354.02	5.27	-111.99
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199535	1	41	-2.0	-110.55	380.54	9.90	-100.65
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CC2)=CS1)C1CC1	REAL300013199536	1	39	-2.0	-107.22	330.30	7.10	-100.12
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CC2)=CS1)C1CCC1	REAL300013199537	1	38	-2.0	-119.72	315.55	8.14	-111.58
CCCN(C(=O)[N-]C1=NC(C2CC2)=CS1)C(COC)C(=O)[O-]	REAL300013199538	1	41	-2.0	-111.28	343.54	6.26	-105.02
CCCN(C(=O)[N-]C1=NC(C2CC2)=CS1)C(CC)C(=O)[O-]	REAL300013199539	1	40	-2.0	-108.83	331.04	7.70	-101.13
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CCOCC1	REAL300013199540	1	36	-2.0	-116.21	303.70	3.41	-112.80
COC1=CC=C(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])C=C1	REAL300013199541	1	39	-2.0	-118.42	348.15	5.24	-113.18
CCC(COC)(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199542	1	38	-2.0	-120.24	321.59	4.26	-115.98
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CCS(=O)(=O)CC1	REAL300013199543	1	38	-2.0	-115.23	328.81	1.88	-113.35
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199544	1	31	-2.0	-107.88	294.87	4.13	-103.75
CCC(NC(=O)[N-]C1=NC(C2CC2)=CS1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013199545	1	41	-2.0	-117.74	360.36	7.93	-109.81
CCC(NC(=O)[N-]C1=NC(C2CC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013199546	1	41	-2.0	-124.00	343.62	7.41	-116.59
COC1CCCC(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])C1	REAL300013199547	1	45	-2.0	-120.24	368.98	4.99	-115.25
COC1(CC(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])CCC1	REAL300013199548	1	42	-2.0	-118.60	352.87	4.94	-113.66
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC(C3CC3)=CS2)=C1	REAL300013199549	1	42	-2.0	-117.29	357.40	7.03	-110.26
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC2)=CS1)C1CCOCC1	REAL300013199550	1	39	-2.0	-115.09	327.59	5.78	-109.31
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC2)=CS1)C1CCCCC1	REAL300013199551	1	41	-2.0	-116.48	336.54	8.16	-108.32
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC(C3CC3)=CS2)(C(=O)[O-])CC1	REAL300013199552	1	41	-2.0	-121.08	326.09	6.29	-114.79
COC1=CC=CC(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])=C1	REAL300013199553	1	39	-2.0	-122.49	348.44	5.14	-117.35
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC=C1Br	REAL300013199554	1	35	-2.0	-120.08	332.46	6.34	-113.74
CC(CCF)(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199555	1	34	-2.0	-110.57	293.49	4.20	-106.37
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC(C3CC3)=CS1)OC=C2	REAL300013199556	1	36	-2.0	-116.46	318.51	6.79	-109.67
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])=C1	REAL300013199557	1	39	-2.0	-122.45	348.40	5.15	-117.30
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013199558	1	41	-2.0	-121.42	350.12	7.74	-113.68
COC1=CC=CC(CC(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])=C1	REAL300013199559	1	42	-2.0	-118.27	370.40	6.16	-112.11
CC1(C)CCCC(NC(=O)[N-]C2=NC(C3CC3)=CS2)(C(=O)[O-])C1	REAL300013199560	1	44	-2.0	-122.38	340.20	6.77	-115.61
CC(CC1=CC=C(Cl)C=C1)(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199561	1	41	-2.0	-114.70	361.06	7.42	-107.28
CC(NC(=O)[N-]C1=NC(C2CC2)=CS1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013199562	1	40	-2.0	-122.15	355.23	7.24	-114.91
COC1CN(C(=O)[N-]C2=NC(C3CC3)=CS2)C(C)(C(=O)[O-])C1	REAL300013199563	1	39	-2.0	-120.23	333.73	5.27	-114.96
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199564	1	42	-2.0	-115.98	349.93	5.30	-110.68
C=C(Cl)CC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199565	1	32	-2.0	-111.18	310.99	4.96	-106.22
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199566	1	36	-2.0	-124.61	303.26	7.05	-117.56
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199567	1	41	-2.0	-114.51	350.74	6.96	-107.55
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199568	1	32	-2.0	-110.79	296.33	5.91	-104.88
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199569	1	42	-2.0	-114.23	353.99	4.66	-109.57
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1CCOCC1	REAL300013199570	1	39	-2.0	-114.74	332.79	3.82	-110.92
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC=C1	REAL300013199571	1	35	-2.0	-120.86	318.89	5.86	-115.00
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300013199572	1	38	-2.0	-115.75	357.65	6.85	-108.90
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199573	1	34	-2.0	-113.19	327.75	3.96	-109.23
CC(C)CCCC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199574	1	43	-2.0	-113.80	364.59	6.68	-107.12
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199575	1	41	-2.0	-118.58	371.06	7.20	-111.38
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199576	1	39	-2.0	-120.29	338.71	4.23	-116.06
CSCC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199577	1	32	-2.0	-113.39	306.22	4.20	-109.19
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199578	1	38	-2.0	-111.09	347.31	6.93	-104.16
CCC(C)CC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199579	1	40	-2.0	-114.68	339.45	5.80	-108.88
C=CCCCC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199580	1	38	-2.0	-113.27	338.33	5.95	-107.32
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199581	1	38	-2.0	-111.07	347.55	6.86	-104.21
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC2=CC=CC=C21	REAL300013199582	1	41	-2.0	-128.64	359.83	8.02	-120.62
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199583	1	33	-2.0	-118.22	295.30	7.11	-111.11
CC(NC(=O)[N-]C1=NC(C2CC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013199584	1	38	-2.0	-122.62	327.03	6.56	-116.06
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199585	1	36	-2.0	-126.78	305.29	7.45	-119.33
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199586	1	40	-2.0	-114.35	340.72	7.39	-106.96
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199587	1	36	-2.0	-127.97	306.91	6.85	-121.12
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC=C1	REAL300013199588	1	35	-2.0	-120.84	318.70	5.93	-114.91
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300013199589	1	38	-2.0	-112.33	357.39	6.93	-105.40
CCC(C)CC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199591	1	40	-2.0	-114.68	339.45	5.80	-108.88
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199592	1	41	-2.0	-119.60	353.16	10.18	-109.42
CC(C)=CCC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199593	1	38	-2.0	-115.15	335.06	5.65	-109.50
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199594	1	37	-2.0	-112.35	336.31	5.02	-107.33
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199595	1	41	-2.0	-109.15	347.53	6.13	-103.02
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199596	1	40	-2.0	-106.86	333.74	7.45	-99.41
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC=N1	REAL300013199597	1	34	-2.0	-123.82	315.06	4.34	-119.48
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199598	1	41	-2.0	-123.88	337.97	8.13	-115.75
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199599	1	41	-2.0	-112.71	345.99	8.74	-103.97
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199601	1	37	-2.0	-112.35	336.31	5.02	-107.33
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CN=C1	REAL300013199602	1	34	-2.0	-117.51	313.83	4.07	-113.44
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199603	1	39	-2.0	-122.82	329.38	6.51	-116.31
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199604	0	39	-2.0	-124.64	337.32	9.74	-114.90
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC(C3CC3)=CS2)[C@H]1C(=O)[O-]	REAL300013199605	0	42	-2.0	-119.07	348.01	9.23	-109.84
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199606	1	40	-2.0	-113.09	359.05	5.81	-107.28
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199607	1	34	-2.0	-114.45	327.47	3.86	-110.59
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199608	1	35	-2.0	-107.15	347.23	5.60	-101.55
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC3)=CS2)CC1=O	REAL300013199609	1	36	-2.0	-115.46	311.69	5.12	-110.34
O=C([O-])[C@@H](NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC=C1	REAL300013199610	1	35	-2.0	-120.87	318.90	5.86	-115.01
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199611	1	38	-2.0	-121.50	332.71	5.15	-116.35
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC2)=CS1)C1CCCC1	REAL300013199612	1	38	-2.0	-115.09	320.13	7.53	-107.56
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CC(CO)C1	REAL300013199613	1	36	-2.0	-124.44	314.44	1.58	-122.86
CCN(C(=O)[N-]C1=NC(C2CC2)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013199614	1	44	-2.0	-120.74	366.75	9.94	-110.80
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199615	1	44	-2.0	-119.75	366.04	5.07	-114.68
CC1CCC(NC(=O)[N-]C2=NC(C3CC3)=CS2)(C(=O)[O-])C1	REAL300013199616	1	38	-2.0	-120.92	317.81	5.40	-115.52
CC1(C)CCCC1(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199617	1	41	-2.0	-123.11	326.63	6.03	-117.08
CC1(C)CC(NC(=O)[N-]C2=NC(C3CC3)=CS2)(C(=O)[O-])C1	REAL300013199618	1	38	-2.0	-121.27	320.30	6.11	-115.16
CC1CCC(NC(=O)[N-]C2=NC(C3CC3)=CS2)(C(=O)[O-])C2=CC=CC=C21	REAL300013199619	1	45	-2.0	-130.34	367.91	8.15	-122.19
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199620	1	44	-2.0	-119.68	366.55	5.06	-114.62
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199621	1	43	-2.0	-125.42	363.32	9.61	-115.81
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1CCOC1	REAL300013199622	1	36	-2.0	-110.56	312.85	2.81	-107.75
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199623	1	36	-2.0	-124.49	305.73	6.90	-117.59
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CNC2=CC=CC=C12	REAL300013199624	1	39	-2.0	-126.61	350.59	5.99	-120.62
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC(C3CC3)=CS1)C2	REAL300013199625	1	34	-2.0	-120.26	298.27	4.41	-115.85
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013199626	1	38	-2.0	-126.62	316.27	7.72	-118.90
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199627	1	41	-2.0	-116.08	356.08	7.12	-108.96
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199628	1	42	-2.0	-116.14	355.48	6.92	-109.22
CC1(C)CC(NC(=O)[N-]C2=NC(C3CC3)=CS2)(C(=O)[O-])CC(C)(C)O1	REAL300013199629	1	48	-2.0	-119.20	376.18	6.48	-112.72
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1CCCCC1	REAL300013199630	1	41	-2.0	-115.98	338.57	6.20	-109.78
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199631	1	42	-2.0	-118.38	356.15	4.98	-113.40
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199632	1	42	-2.0	-126.86	330.82	7.67	-119.19
CC1(C)CC(NC(=O)[N-]C2=NC(C3CC3)=CS2)(C(=O)[O-])CCO1	REAL300013199633	1	42	-2.0	-117.23	332.82	4.71	-112.52
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199634	1	41	-2.0	-117.38	379.13	8.12	-109.26
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC(C3CC3)=CS1)C2C(=O)[O-]	REAL300013199635	1	42	-2.0	-121.09	353.50	9.16	-111.93
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199636	1	42	-2.0	-116.14	355.48	6.92	-109.22
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199637	1	38	-2.0	-112.72	347.60	6.87	-105.85
COC1CC(NC(=O)[N-]C2=NC(C3CC3)=CS2)(C(=O)[O-])C1	REAL300013199638	1	36	-2.0	-116.38	315.50	3.26	-113.12
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CC(F)(F)C1	REAL300013199639	1	32	-2.0	-113.44	292.48	4.41	-109.03
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C3CC3)=CS2)(C(=O)[O-])C1	REAL300013199640	1	36	-2.0	-116.16	315.66	3.24	-112.92
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1(C(F)(F)F)CC1	REAL300013199641	1	35	-2.0	-112.07	322.83	5.54	-106.53
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199642	1	38	-2.0	-122.94	313.85	7.54	-115.40
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199643	1	31	-2.0	-107.64	298.45	4.55	-103.09
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199644	1	39	-2.0	-113.67	337.81	3.97	-109.70
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199645	1	35	-2.0	-113.54	332.82	5.91	-107.63
COCC(NC(=O)[N-]C1=NC(C2CC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013199646	1	42	-2.0	-123.80	359.71	5.73	-118.07
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199647	1	36	-2.0	-124.93	306.48	6.41	-118.52
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199648	1	41	-2.0	-112.71	345.99	8.74	-103.97
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199649	1	42	-2.0	-117.35	380.14	6.46	-110.89
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199650	1	44	-2.0	-116.35	362.85	7.04	-109.31
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199651	1	41	-2.0	-115.47	364.17	7.57	-107.90
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199652	1	41	-2.0	-115.38	363.93	7.63	-107.75
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1CC2CCC1C2	REAL300013199653	1	42	-2.0	-118.63	344.38	6.56	-112.07
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199654	1	44	-2.0	-116.41	363.12	6.99	-109.42
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199655	1	44	-2.0	-116.39	363.10	6.99	-109.40
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199656	1	42	-2.0	-125.83	345.55	7.82	-118.01
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199657	1	42	-2.0	-125.24	341.09	7.59	-117.65
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=C(OCC(F)F)C=C1	REAL300013199658	1	42	-2.0	-121.11	383.26	6.40	-114.71
COC1=CC=C(CC(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])C=C1	REAL300013199659	1	42	-2.0	-115.34	370.63	6.10	-109.24
C=CCSCC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199660	1	36	-2.0	-114.06	340.74	5.57	-108.49
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])C=C1	REAL300013199661	1	39	-2.0	-110.28	361.13	7.22	-103.06
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199662	1	42	-2.0	-126.56	380.82	6.79	-119.77
COC1(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])CCC1	REAL300013199663	1	39	-2.0	-120.26	331.01	3.56	-116.70
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CCC(C(F)F)CC1	REAL300013199664	1	41	-2.0	-119.52	343.88	6.70	-112.82
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CCC2=CC=CC=C2C1	REAL300013199665	1	42	-2.0	-123.89	350.24	7.82	-116.07
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CC(C(F)F)C1	REAL300013199666	1	35	-2.0	-118.96	315.74	5.23	-113.73
O=C([O-])C1CC(NC(=O)NC2=NC(C3CC3)=CS2)(C(=O)[O-])C1	REAL300013199667	0	35	-2.0	-109.93	314.64	6.07	-103.86
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CC3)=CS2)(C(=O)[O-])C1	REAL300013199667	1	34	-3.0	-196.23	312.77	4.98	-191.25
CC(C)(C)C1=CC=C(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])C=C1	REAL300013199668	1	47	-2.0	-120.86	394.86	8.27	-112.59
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])C=C1	REAL300013199669	1	44	-2.0	-120.74	379.14	7.78	-112.96
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199670	1	34	-2.0	-125.79	299.85	6.63	-119.16
CC1(C)CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)C1C(=O)[O-]	REAL300013199671	1	38	-2.0	-124.79	319.54	6.46	-118.33
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(C3CC3)=CS2)C(=O)[O-])C=C1	REAL300013199672	1	42	-2.0	-118.28	370.02	6.15	-112.13
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199673	1	42	-2.0	-129.26	341.00	8.84	-120.42
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1CCC2=CC=CC=C21	REAL300013199674	1	42	-2.0	-117.41	359.38	7.75	-109.66
CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199675	1	42	-2.0	-121.66	361.35	6.81	-114.85
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199676	1	38	-2.0	-113.66	354.92	6.85	-106.81
CC(C)CCC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199677	1	40	-2.0	-113.84	343.33	5.84	-108.00
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199678	1	39	-2.0	-126.56	331.56	7.30	-119.26
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199679	1	39	-2.0	-113.67	337.81	3.97	-109.70
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013199680	1	36	-2.0	-117.51	327.61	6.76	-110.75
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CCCC2CC21	REAL300013199681	1	39	-2.0	-121.74	320.60	6.27	-115.47
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CCC2CC21	REAL300013199682	1	36	-2.0	-121.79	305.22	5.65	-116.14
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CC2(CCC2)C1	REAL300013199683	1	39	-2.0	-121.31	326.54	6.00	-115.31
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC(C3CC3)=CS1)CCCCC2	REAL300013199684	1	45	-2.0	-126.63	359.82	8.31	-118.32
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1CCCC1	REAL300013199685	1	38	-2.0	-115.74	322.08	5.43	-110.31
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199686	1	38	-2.0	-116.81	341.81	8.90	-107.91
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300013199687	1	45	-2.0	-121.55	393.11	9.25	-112.30
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013199688	1	38	-2.0	-125.92	324.42	6.59	-119.33
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199689	1	39	-2.0	-118.22	344.48	9.08	-109.14
CC(NC(=O)[N-]C1=NC(C2CC2)=CS1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300013199690	1	41	-2.0	-114.83	365.76	7.57	-107.26
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199691	1	35	-2.0	-116.89	306.77	7.24	-109.65
O=C([O-])C1N(C(=O)[N-]C2=NC(C3CC3)=CS2)CCC1(F)F	REAL300013199692	1	32	-2.0	-117.74	295.04	5.89	-111.85
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199693	1	38	-2.0	-112.72	347.60	6.87	-105.85
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199694	1	35	-2.0	-113.15	332.03	5.74	-107.41
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199695	1	35	-2.0	-114.84	312.95	6.51	-108.33
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CC2(CC(F)(F)C2)C1	REAL300013199696	1	39	-2.0	-119.60	345.71	6.44	-113.16
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199697	1	43	-2.0	-120.88	370.60	8.15	-112.73
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199698	1	35	-2.0	-113.15	332.03	5.74	-107.41
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199699	1	39	-2.0	-125.93	321.64	7.16	-118.77
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=C(O)C=C1	REAL300013199700	1	36	-2.0	-117.91	329.94	3.00	-114.91
COCCCC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199701	1	38	-2.0	-114.12	337.93	3.61	-110.51
CC(C)(C)CC(NC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013199702	1	40	-2.0	-114.80	332.73	6.21	-108.59
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1CCCCO1	REAL300013199703	1	39	-2.0	-118.94	333.87	4.38	-114.56
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=CC=CC(Br)=C1	REAL300013199704	1	35	-2.0	-116.53	340.00	6.55	-109.98
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CC2=CC=CC=C2C1	REAL300013199705	1	39	-2.0	-123.59	336.88	6.95	-116.64
C[C@H]1OCCN(C(=O)[N-]C2=NC(C3CC3)=CS2)[C@@H]1C(=O)[O-]	REAL300013199706	1	36	-2.0	-121.66	306.46	5.31	-116.35
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199707	1	38	-2.0	-106.66	326.23	7.02	-99.64
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=CS1)C12CC3CC(CC(C3)C1)C2	REAL300013199708	1	49	-2.0	-124.02	375.31	7.89	-116.13
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199709	1	41	-2.0	-117.86	366.50	7.15	-110.71
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199710	1	35	-2.0	-114.76	323.46	7.03	-107.73
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199711	1	46	-2.0	-127.94	357.90	7.65	-120.29
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013199712	1	37	-2.0	-111.57	352.69	5.48	-106.09
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013199713	1	39	-2.0	-123.17	338.49	5.71	-117.46
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199714	1	50	-2.0	-116.72	415.19	9.29	-107.43
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199715	1	47	-2.0	-117.01	406.12	11.86	-105.15
CC1=CC=C(C(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300013199716	1	44	-2.0	-121.18	392.17	8.93	-112.25
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199717	1	37	-2.0	-107.81	350.57	6.86	-100.95
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CCSCC1	REAL300013199718	1	42	-2.0	-114.11	362.09	7.89	-106.22
COCC(C)(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199719	1	41	-2.0	-118.42	357.26	5.66	-112.76
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199720	1	44	-2.0	-108.52	379.37	7.69	-100.83
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199721	1	43	-2.0	-114.90	371.07	9.48	-105.42
O=C([O-])CN(C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1CC1	REAL300013199722	1	38	-2.0	-112.39	340.17	8.55	-103.84
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199723	1	40	-2.0	-108.66	374.55	9.34	-99.32
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CCOC1	REAL300013199724	1	39	-2.0	-114.60	340.52	4.51	-110.09
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1CCCCC1	REAL300013199725	1	47	-2.0	-118.19	388.62	8.30	-109.89
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1=CC=C(O)C=C1	REAL300013199726	1	42	-2.0	-118.25	382.07	5.31	-112.94
CN(C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(COC1CCC1)C(=O)[O-]	REAL300013199727	1	48	-2.0	-109.99	406.52	9.10	-100.89
C=CCOCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199728	1	42	-2.0	-117.54	381.36	5.93	-111.61
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199729	1	42	-2.0	-130.88	355.24	6.89	-123.99
C=CC(C)C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199730	1	41	-2.0	-112.60	364.87	7.25	-105.35
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1CCOCC1	REAL300013199731	1	45	-2.0	-117.15	378.80	5.96	-111.19
COC1CCN(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C(C(=O)[O-])C1	REAL300013199732	1	45	-2.0	-125.28	379.95	8.44	-116.84
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1CCCOC1	REAL300013199733	1	45	-2.0	-113.63	378.75	5.98	-107.65
CC1CCN(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C(C(=O)[O-])C1	REAL300013199734	1	44	-2.0	-126.46	368.40	10.05	-116.41
CC1=CC(C(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C(=O)[O-])=CC=C1F	REAL300013199735	1	44	-2.0	-114.28	397.74	8.86	-105.42
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C(=O)[O-])=C1	REAL300013199736	1	47	-2.0	-123.21	413.82	9.49	-113.72
CC1=CC=C(C(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C(=O)[O-])C=C1C	REAL300013199737	1	47	-2.0	-123.23	409.47	9.36	-113.87
CC(C)C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199738	1	40	-2.0	-114.47	346.98	6.42	-108.05
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199739	1	41	-2.0	-125.91	347.48	9.44	-116.47
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199740	1	39	-2.0	-118.28	347.55	9.47	-108.81
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CCCCC1	REAL300013199741	1	44	-2.0	-120.20	364.39	8.22	-111.98
O=C([O-])C1CCCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199742	1	38	-2.0	-120.90	335.49	8.06	-112.84
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CCCC1	REAL300013199743	1	41	-2.0	-119.81	349.88	7.11	-112.70
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CCCCCC1	REAL300013199744	1	47	-2.0	-121.08	370.04	8.87	-112.21
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199745	1	44	-2.0	-115.14	392.41	9.13	-106.01
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199746	1	44	-2.0	-116.71	393.89	11.21	-105.50
O=C([O-])[C@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1=CC=CC=C1	REAL300013199747	1	41	-2.0	-121.08	370.81	8.24	-112.84
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1=CC=CC=C1	REAL300013199748	1	41	-2.0	-120.75	370.39	8.21	-112.54
CCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199749	1	37	-2.0	-113.07	334.63	6.15	-106.92
CC(C)C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199750	1	40	-2.0	-114.47	346.98	6.42	-108.05
CN(CC(=O)[O-])C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199751	1	34	-2.0	-110.17	313.11	7.22	-102.95
O=C([O-])C(CO)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199752	1	35	-2.0	-116.96	324.35	1.97	-114.99
O=C([O-])C(CO)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199753	1	35	-2.0	-116.96	324.35	1.97	-114.99
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199754	1	44	-2.0	-115.14	392.41	9.13	-106.01
CC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199755	1	34	-2.0	-100.01	313.36	5.03	-94.98
CCC(C)C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199756	1	43	-2.0	-115.38	364.80	7.12	-108.26
CN(CC(=O)[O-])C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199757	1	34	-2.0	-110.17	313.11	7.22	-102.95
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199758	1	41	-2.0	-125.91	347.48	9.44	-116.47
CCCC(C)(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199759	1	43	-2.0	-116.26	360.51	7.13	-109.13
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CC(C)C[C@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199860	1	43	-2.0	-114.46	373.28	7.51	-106.95
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1CCOCC1	REAL300013199861	1	45	-2.0	-117.15	378.80	5.96	-111.19
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1=CC=CC=C1	REAL300013199862	1	41	-2.0	-120.75	370.39	8.21	-112.54
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199863	1	41	-2.0	-114.01	365.65	7.67	-106.34
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199864	1	40	-2.0	-113.21	379.86	6.26	-106.95
CC(C)CCCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199865	1	49	-2.0	-114.26	416.94	8.93	-105.33
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199866	1	45	-2.0	-120.65	391.06	6.47	-114.18
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199867	1	38	-2.0	-112.38	341.62	3.20	-109.18
CSCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199868	1	38	-2.0	-113.68	358.58	6.43	-107.25
COC[C@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199869	1	38	-2.0	-115.67	346.25	4.33	-111.34
CC[C@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199870	1	37	-2.0	-112.70	334.04	6.11	-106.59
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199871	1	44	-2.0	-111.26	399.65	9.18	-102.08
CCC(C)CC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199872	1	46	-2.0	-115.06	391.81	8.04	-107.02
C=CCCCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199873	1	44	-2.0	-113.51	390.44	8.26	-105.25
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199874	1	44	-2.0	-111.18	399.65	9.17	-102.01
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199875	1	39	-2.0	-118.28	347.55	9.47	-108.81
CC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013199876	1	44	-2.0	-122.55	379.13	8.88	-113.67
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199877	1	38	-2.0	-121.47	336.23	7.82	-113.65
CCCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199878	1	40	-2.0	-113.57	356.37	6.85	-106.72
CC(C)[C@@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199879	1	40	-2.0	-114.21	346.31	6.50	-107.71
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199880	1	42	-2.0	-126.79	358.18	9.71	-117.08
CCN(C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(C)(C)C(=O)[O-]	REAL300013199881	1	43	-2.0	-118.46	360.65	9.07	-109.39
CCCN(C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(C)C(=O)[O-]	REAL300013199882	1	43	-2.0	-108.11	366.15	9.07	-99.04
CCC[C@@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199883	1	40	-2.0	-113.49	356.13	6.92	-106.57
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199884	1	42	-2.0	-128.36	358.91	9.18	-119.18
O=C([O-])[C@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1=CC=CC=C1	REAL300013199885	1	41	-2.0	-121.08	370.81	8.24	-112.84
CN(C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(C)(C)C(=O)[O-]	REAL300013199886	1	40	-2.0	-117.21	342.15	8.21	-109.00
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199887	1	38	-2.0	-120.92	335.47	8.07	-112.85
CCC(C)CC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199890	1	46	-2.0	-115.06	391.81	8.04	-107.02
C#CCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199891	1	36	-2.0	-112.89	341.15	6.50	-106.39
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199892	1	47	-2.0	-112.73	398.74	11.15	-101.58
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199893	1	37	-2.0	-104.82	327.51	7.34	-97.48
CC(C)=CCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199894	1	44	-2.0	-115.31	387.38	7.99	-107.32
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199895	1	43	-2.0	-112.56	388.43	7.34	-105.22
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199896	1	47	-2.0	-109.74	400.25	8.54	-101.20
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199897	1	46	-2.0	-107.06	386.32	9.87	-97.19
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1=CC=CC=N1	REAL300013199898	1	40	-2.0	-124.14	367.41	6.59	-117.55
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199899	1	47	-2.0	-123.67	390.07	10.44	-113.23
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199900	1	47	-2.0	-112.68	398.07	11.04	-101.64
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199903	1	43	-2.0	-112.56	388.43	7.34	-105.22
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1=CC=CN=C1	REAL300013199904	1	40	-2.0	-117.91	365.93	6.38	-111.53
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199905	1	45	-2.0	-122.23	381.03	8.80	-113.43
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199906	0	45	-2.0	-124.43	389.41	12.05	-112.38
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199907	1	46	-2.0	-113.10	410.33	8.14	-104.96
C=CCCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199908	1	41	-2.0	-113.34	368.95	7.48	-105.86
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199909	1	40	-2.0	-114.66	379.58	6.17	-108.49
CC#CCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199910	1	39	-2.0	-114.72	362.97	7.45	-107.27
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CC1=O	REAL300013199911	1	42	-2.0	-115.55	364.09	7.48	-108.07
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199912	1	41	-2.0	-120.84	352.61	8.61	-112.23
CC(C)[C@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199913	1	40	-2.0	-114.33	351.91	6.66	-107.67
O=C([O-])[C@@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1=CC=CC=C1	REAL300013199914	1	41	-2.0	-121.01	371.00	8.17	-112.84
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199915	1	44	-2.0	-121.28	384.82	7.45	-113.83
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199916	1	37	-2.0	-104.74	328.01	7.44	-97.30
CCC[C@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199917	1	40	-2.0	-113.14	355.54	6.88	-106.26
CCN(C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(C)C(=O)[O-]	REAL300013199918	1	40	-2.0	-106.05	344.70	8.23	-97.82
O=C([O-])CN(C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1CCCC1	REAL300013199919	1	44	-2.0	-114.97	371.26	9.76	-105.21
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199920	1	43	-2.0	-115.36	366.11	7.06	-108.30
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199921	1	40	-2.0	-106.06	347.41	8.38	-97.68
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CC(CO)C1	REAL300013199922	1	42	-2.0	-121.98	368.28	3.98	-118.00
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199923	1	50	-2.0	-119.90	418.34	7.40	-112.50
CC1CCC(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013199924	1	44	-2.0	-120.99	369.91	7.71	-113.28
CC1(C)CCCC1(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199925	1	47	-2.0	-123.11	380.41	8.47	-114.64
COCCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199926	1	41	-2.0	-111.68	368.31	5.21	-106.47
CC1(C)CC(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013199927	1	44	-2.0	-121.26	372.44	8.40	-112.86
CC1(C(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C(=O)[O-])CC1	REAL300013199928	1	41	-2.0	-116.45	363.65	7.18	-109.27
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199929	1	50	-2.0	-119.91	418.76	7.37	-112.54
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199930	1	39	-2.0	-128.61	347.52	4.61	-124.00
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1CCOC1	REAL300013199931	1	42	-2.0	-111.23	367.11	5.14	-106.09
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199932	1	42	-2.0	-124.53	357.62	9.17	-115.36
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC(CC3=CC=CC=C3)=CS1)C2	REAL300013199933	1	40	-2.0	-120.06	349.32	6.84	-113.22
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C1	REAL300013199934	1	44	-2.0	-126.52	368.32	10.01	-116.51
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199935	1	47	-2.0	-116.92	410.02	9.51	-107.41
CN(C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1(C(=O)[O-])CC1	REAL300013199936	1	38	-2.0	-113.88	341.50	7.87	-106.01
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199937	1	48	-2.0	-116.25	407.56	9.24	-107.01
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1CCC1	REAL300013199938	1	41	-2.0	-115.74	359.74	7.14	-108.60
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1CCCCC1	REAL300013199939	1	47	-2.0	-118.19	388.62	8.30	-109.89
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1CCC1	REAL300013199940	1	41	-2.0	-115.74	359.74	7.14	-108.60
CC1CCN(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C1C(=O)[O-]	REAL300013199941	1	41	-2.0	-121.75	349.22	8.60	-113.15
C=CCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199942	1	38	-2.0	-113.09	347.91	6.61	-106.48
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199943	1	48	-2.0	-118.00	406.87	7.90	-110.10
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199944	1	48	-2.0	-127.20	382.94	9.97	-117.23
CC1(C)CC(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)(C(=O)[O-])CCO1	REAL300013199945	1	48	-2.0	-117.11	384.93	7.02	-110.09
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199946	1	48	-2.0	-116.25	407.56	9.24	-107.01
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199947	1	44	-2.0	-112.94	399.72	9.18	-103.76
COC1CC(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013199948	1	42	-2.0	-116.18	367.59	5.57	-110.61
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CC(F)(F)C1	REAL300013199949	1	38	-2.0	-113.34	344.43	6.72	-106.62
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)(C(=O)[O-])C1	REAL300013199950	1	42	-2.0	-121.91	367.95	5.96	-115.95
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1(C(F)(F)F)CC1	REAL300013199951	1	41	-2.0	-110.29	375.35	7.60	-102.69
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199952	1	44	-2.0	-122.80	365.84	9.82	-112.98
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199953	1	37	-2.0	-107.81	350.57	6.86	-100.95
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199954	1	45	-2.0	-114.41	388.68	6.10	-108.31
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)COC1	REAL300013199955	1	36	-2.0	-111.55	326.82	3.73	-107.82
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199956	1	41	-2.0	-113.60	385.17	8.16	-105.44
CC(C)C(C)(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199957	1	43	-2.0	-116.96	355.75	7.06	-109.90
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199958	1	39	-2.0	-125.58	342.88	9.17	-116.41
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199959	1	42	-2.0	-125.07	358.58	8.72	-116.35
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199960	1	47	-2.0	-112.68	398.07	11.04	-101.64
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199961	1	50	-2.0	-116.72	415.19	9.29	-107.43
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199962	1	47	-2.0	-115.39	415.44	9.91	-105.48
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199963	1	47	-2.0	-115.74	416.28	9.88	-105.86
O=C([O-])C(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1CC2CCC1C2	REAL300013199964	1	48	-2.0	-119.05	395.32	8.76	-110.29
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199965	1	50	-2.0	-116.63	414.97	9.37	-107.26
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CC(C)CCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199978	1	46	-2.0	-114.12	395.20	8.22	-105.90
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CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199990	1	41	-2.0	-119.50	349.03	7.22	-112.28
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CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C1	REAL300013199992	1	44	-2.0	-125.84	375.72	8.94	-116.90
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CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199997	1	41	-2.0	-114.90	365.05	8.82	-106.08
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199998	1	41	-2.0	-112.83	383.28	8.04	-104.79
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013199999	1	45	-2.0	-126.02	373.76	9.47	-116.55
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COCCCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013200001	1	44	-2.0	-114.53	390.05	5.92	-108.61
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013200002	1	43	-2.0	-106.64	369.45	9.19	-97.45
CCOCC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013200003	1	41	-2.0	-116.78	368.44	5.35	-111.43
CC(C)(C)CC(NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013200004	1	46	-2.0	-115.19	385.44	8.56	-106.63
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C[C@H]1OCCN(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)[C@@H]1C(=O)[O-]	REAL300013200007	1	42	-2.0	-121.64	358.57	7.61	-114.03
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O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013200009	1	41	-2.0	-115.10	375.57	9.35	-105.75
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013200010	1	37	-2.0	-104.80	327.51	7.34	-97.46
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C1	REAL300013200011	1	45	-2.0	-123.02	390.60	8.02	-115.00
CC1=CC(CC2=CN=C([N-]C(=O)NCC(=O)[O-])S2)=CC=C1Br	REAL300013200012	1	34	-2.0	-102.88	334.16	6.09	-96.79
CC1=CC(CC2=CN=C([N-]C(=O)N(C)CC(=O)[O-])S2)=CC=C1Br	REAL300013200013	1	37	-2.0	-115.49	355.02	9.05	-106.44
CC1=CC(CC2=CN=C([N-]C(=O)NC(C)C(=O)[O-])S2)=CC=C1Br	REAL300013200014	1	37	-2.0	-104.20	355.27	6.87	-97.33
CC1=CC(CC2=CN=C([N-]C(=O)N(C)CC(=O)[O-])S2)=CC=C1Br	REAL300013200015	1	37	-2.0	-115.49	355.02	9.05	-106.44
CC1=CC(CC2=CN=C([N-]C(=O)NC(C)C(=O)[O-])S2)=CC=C1Br	REAL300013200016	1	37	-2.0	-104.20	355.27	6.87	-97.33
CC1=CC(CC2=CN=C([N-]C(=O)N[C@@H](C)C(=O)[O-])S2)=CC=C1Br	REAL300013200017	1	37	-2.0	-103.99	354.79	6.93	-97.06
CC1=CC(CC2=CN=C([N-]C(=O)N[C@H](C)C(=O)[O-])S2)=CC=C1Br	REAL300013200018	1	37	-2.0	-103.97	354.96	6.92	-97.05
CC1=CC(CC2=CN=C([N-]C(=O)NCC(=O)[O-])S2)=CC=C1Br	REAL300013200019	1	34	-2.0	-102.88	334.16	6.09	-96.79
C=CCN(C(=O)[N-]C1=NC(CC)=C(C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013200020	1	47	-2.0	-107.76	392.86	10.32	-97.44
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300013200021	1	40	-2.0	-117.93	368.34	7.10	-110.83
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300013200022	1	46	-2.0	-122.44	396.26	8.81	-113.63
CCC1=C(C)SC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013200023	1	46	-2.0	-118.42	374.39	6.93	-111.49
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013200024	1	43	-2.0	-118.88	365.75	9.52	-109.36
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300013200025	1	40	-2.0	-123.16	352.10	6.51	-116.65
CCC1=C(C)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013200026	1	33	-2.0	-109.37	309.61	4.48	-104.89
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300013200027	1	43	-2.0	-126.01	376.18	8.08	-117.93
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300013200028	1	38	-2.0	-115.68	321.72	5.56	-110.12
CCC1=C(C)SC([N-]C(=O)NC(C)(COC)C(=O)[O-])=N1	REAL300013200029	1	37	-2.0	-120.25	316.89	3.32	-116.93
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC)=C(C)S1	REAL300013200030	1	40	-2.0	-109.98	339.19	5.50	-104.48
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])C(CC)C2=CC=CC=C2)=N1	REAL300013200031	1	46	-2.0	-118.68	380.18	9.53	-109.15
CCC1=C(C)SC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300013200032	1	36	-2.0	-110.51	334.19	7.00	-103.51
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013200033	1	43	-2.0	-119.96	347.81	5.94	-114.02
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013200034	1	38	-2.0	-119.84	341.71	2.98	-116.86
CCC1=C(C)SC([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])=N1	REAL300013200035	1	44	-2.0	-111.44	366.17	6.75	-104.69
CCC1=C(C)SC([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=N1	REAL300013200036	1	44	-2.0	-131.26	369.48	10.09	-121.17
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CCC1=C(C)SC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013200038	1	38	-2.0	-132.27	317.52	3.76	-128.51
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013200039	1	41	-2.0	-118.77	338.44	3.62	-115.15
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CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300013200041	1	37	-2.0	-113.38	352.20	6.42	-106.96
CCC1=C(C)SC([N-]C(=O)N2CCC(OC)CC2C(=O)[O-])=N1	REAL300013200042	1	41	-2.0	-129.24	337.25	6.28	-122.96
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300013200043	1	41	-2.0	-115.56	338.98	3.57	-111.99
CCC1=C(C)SC([N-]C(=O)N2CCC(C)CC2C(=O)[O-])=N1	REAL300013200044	1	40	-2.0	-128.76	322.19	7.57	-121.19
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=N1	REAL300013200045	1	40	-2.0	-115.97	356.95	6.50	-109.47
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300013200046	1	42	-2.0	-121.44	365.98	5.71	-115.73
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300013200047	1	43	-2.0	-125.06	372.87	7.19	-117.87
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=N1	REAL300013200048	1	43	-2.0	-124.99	368.66	7.01	-117.98
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)=N1	REAL300013200049	1	42	-2.0	-120.31	369.88	2.97	-117.34
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)=N1	REAL300013200050	1	41	-2.0	-119.00	375.13	5.71	-113.29
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013200051	1	37	-2.0	-115.84	347.18	6.43	-109.41
CCC1=C(C)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013200052	1	35	-2.0	-120.22	306.75	7.12	-113.10
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013200053	1	40	-2.0	-122.08	323.58	5.86	-116.22
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300013200054	1	43	-2.0	-122.63	329.69	6.53	-116.10
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013200055	1	40	-2.0	-117.07	352.88	6.77	-110.30
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013200056	1	40	-2.0	-118.65	353.55	8.87	-109.78
CCC1=C(C)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200057	1	37	-2.0	-122.84	330.45	5.91	-116.93
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200058	1	37	-2.0	-122.83	329.98	5.89	-116.94
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013200059	1	40	-2.0	-117.07	352.88	6.77	-110.30
CCC1=C(C)SC([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300013200060	1	41	-2.0	-129.70	344.70	9.22	-120.48
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300013200061	1	34	-2.0	-119.88	322.27	4.92	-114.96
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013200062	1	40	-2.0	-122.08	323.58	5.86	-116.22
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=N1	REAL300013200063	1	40	-2.0	-109.22	363.81	9.08	-100.14
CCC1=C(C)SC([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013200064	1	44	-2.0	-122.73	381.12	6.88	-115.85
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=N1	REAL300013200065	1	48	-2.0	-122.89	412.03	7.46	-115.43
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300013200066	1	37	-2.0	-115.84	351.75	6.53	-109.31
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300013200067	1	40	-2.0	-108.92	353.50	8.63	-100.29
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013200068	1	41	-2.0	-125.55	350.00	7.04	-118.51
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300013200069	1	37	-2.0	-121.82	341.09	5.97	-115.85
CCC1=C(C)SC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200070	1	40	-2.0	-124.55	338.77	6.54	-118.01
CCCCCCC(C)(NC(=O)[N-]C1=NC(CC)=C(C)S1)C(=O)[O-]	REAL300013200071	1	48	-2.0	-118.82	384.64	7.13	-111.69
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)=N1	REAL300013200072	1	41	-2.0	-120.26	375.62	6.73	-113.53
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013200073	1	37	-2.0	-115.84	347.18	6.43	-109.41
CCC1=C(C)SC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013200074	1	43	-2.0	-121.60	335.44	7.62	-113.98
CCC1=C(C)SC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013200075	1	43	-2.0	-118.65	375.96	9.65	-109.00
CCC1=C(C)SC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200076	1	40	-2.0	-116.52	340.22	7.81	-108.71
CCC1=C(C)SC([N-]C(=O)N(CCOC)CC(=O)[O-])=N1	REAL300013200077	1	37	-2.0	-116.98	325.93	5.04	-111.94
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300013200078	1	41	-2.0	-130.02	345.38	6.83	-123.19
CCC1=C(C)SC([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013200079	1	44	-2.0	-122.78	386.84	6.71	-116.07
CCC1=C(C)SC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013200080	1	40	-2.0	-127.38	321.53	7.90	-119.48
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300013200081	1	38	-2.0	-122.55	340.63	2.99	-119.56
CCC1=C(C)SC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013200082	1	43	-2.0	-118.65	375.96	9.65	-109.00
CCC1=C(C)SC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013200083	1	43	-2.0	-121.60	335.44	7.62	-113.98
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013200084	1	40	-2.0	-116.89	331.43	7.49	-109.40
CCCCCC(NC(=O)[N-]C1=NC(CC)=C(C)S1)C(=O)[O-]	REAL300013200085	1	42	-2.0	-115.42	359.00	6.09	-109.33
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCC(CC)CC2)=N1	REAL300013200086	1	46	-2.0	-122.60	362.65	7.11	-115.49
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013200087	1	41	-2.0	-116.73	339.33	5.76	-110.97
CCC1=C(C)SC([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)=N1	REAL300013200088	1	40	-2.0	-123.47	322.08	6.67	-116.80
CCC1=C(C)SC([N-]C(=O)N(C(CC)C(=O)[O-])C2CC2)=N1	REAL300013200089	1	40	-2.0	-110.99	329.36	7.77	-103.22
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300013200090	1	37	-2.0	-123.01	340.99	6.29	-116.72
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300013200091	1	37	-2.0	-126.67	334.40	5.97	-120.70
CCC1=C(C)SC([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013200092	1	41	-2.0	-122.00	348.68	8.69	-113.31
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=N1	REAL300013200093	1	43	-2.0	-123.72	359.29	6.85	-116.87
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=N1	REAL300013200094	1	41	-2.0	-119.29	365.93	5.19	-114.10
CCC1=C(C)SC([N-]C(=O)N(C(COC)C(=O)[O-])C2CC2)=N1	REAL300013200095	1	41	-2.0	-108.10	341.91	7.00	-101.10
CCC1=C(C)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)=N1	REAL300013200096	1	40	-2.0	-108.57	328.05	6.92	-101.65
CCCN(C(=O)[N-]C1=NC(CC)=C(C)S1)C(COC)C(=O)[O-]	REAL300013200097	1	43	-2.0	-119.86	358.62	7.40	-112.46
CCCN(C(=O)[N-]C1=NC(CC)=C(C)S1)C(CC)C(=O)[O-]	REAL300013200098	1	42	-2.0	-118.54	344.83	8.11	-110.43
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013200099	1	38	-2.0	-117.87	315.45	3.40	-114.47
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)=N1	REAL300013200100	1	41	-2.0	-120.26	359.95	5.21	-115.05
CCC1=C(C)SC([N-]C(=O)NC(CC)(COC)C(=O)[O-])=N1	REAL300013200101	1	40	-2.0	-122.05	333.57	4.23	-117.82
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)=N1	REAL300013200102	1	40	-2.0	-116.69	340.57	1.87	-114.82
CCC1=C(C)SC([N-]C(=O)NC(CCOC)C(=O)[O-])=N1	REAL300013200103	1	37	-2.0	-113.25	327.35	2.85	-110.40
CCC1=C(C)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013200104	1	33	-2.0	-109.62	306.03	4.06	-105.56
CCC1=C(C)SC([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013200105	1	43	-2.0	-119.48	372.10	7.90	-111.58
CCC1=C(C)SC([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200106	1	43	-2.0	-125.94	355.04	7.40	-118.54
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)=N1	REAL300013200107	1	47	-2.0	-119.73	382.76	5.18	-114.55
CCC1=C(C)SC([N-]C(=O)NC(CC2(OC)CCC2)C(=O)[O-])=N1	REAL300013200108	1	44	-2.0	-119.98	364.04	5.08	-114.90
CCC1=C(C)SC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300013200109	1	44	-2.0	-121.38	373.13	7.32	-114.06
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013200110	1	41	-2.0	-116.73	339.33	5.76	-110.97
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300013200111	1	43	-2.0	-118.11	347.86	8.13	-109.98
CCC1=C(C)SC([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)=N1	REAL300013200112	1	43	-2.0	-122.73	338.81	6.30	-116.43
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300013200113	1	41	-2.0	-124.27	359.11	5.14	-119.13
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)=N1	REAL300013200114	1	37	-2.0	-122.13	344.32	6.34	-115.79
CCC1=C(C)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013200115	1	36	-2.0	-112.24	305.24	4.18	-108.06
CCC1=C(C)SC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300013200116	1	38	-2.0	-118.30	331.26	6.81	-111.49
CCC1=C(C)SC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300013200117	1	41	-2.0	-124.36	359.57	5.15	-119.21
CCC1=C(C)SC([N-]C(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])=N1	REAL300013200118	1	43	-2.0	-123.26	361.42	7.70	-115.56
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])=N1	REAL300013200119	1	44	-2.0	-120.02	381.70	6.12	-113.90
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300013200120	1	46	-2.0	-123.92	351.95	6.75	-117.17
CCC1=C(C)SC([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=N1	REAL300013200121	1	43	-2.0	-116.40	372.80	7.39	-109.01
CCC1=C(C)SC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300013200122	1	42	-2.0	-123.90	366.56	7.19	-116.71
CCC1=C(C)SC([N-]C(=O)N2CC(OC)CC2(C)C(=O)[O-])=N1	REAL300013200123	1	41	-2.0	-122.22	345.42	5.25	-116.97
CCC1=C(C)SC([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300013200124	1	44	-2.0	-118.55	365.22	4.63	-113.92
C=C(Cl)CC(NC(=O)[N-]C1=NC(CC)=C(C)S1)C(=O)[O-]	REAL300013200125	1	34	-2.0	-112.36	323.78	4.81	-107.55
CCC1=C(C)SC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013200126	1	38	-2.0	-126.25	315.01	7.02	-119.23
CCC1=C(C)SC([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013200127	1	43	-2.0	-116.28	362.49	6.94	-109.34
CCC1=C(C)SC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013200128	1	34	-2.0	-112.56	307.65	5.87	-106.69
CCC1=C(C)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013200129	1	34	-2.0	-117.65	302.56	5.87	-111.78
CCC1=C(C)SC([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300013200130	1	44	-2.0	-114.94	361.77	5.25	-109.69
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013200131	1	41	-2.0	-118.77	338.44	3.62	-115.15
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200132	1	37	-2.0	-122.83	329.98	5.89	-116.94
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300013200133	1	40	-2.0	-117.85	368.70	6.88	-110.97
CCC1=C(C)SC([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])=N1	REAL300013200134	1	36	-2.0	-114.94	338.66	3.96	-110.98
CCC1=C(C)SC([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])=N1	REAL300013200135	1	45	-2.0	-115.72	375.74	6.63	-109.09
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300013200136	1	43	-2.0	-120.21	382.37	7.23	-112.98
CCC1=C(C)SC([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300013200137	1	41	-2.0	-122.18	350.46	4.20	-117.98
CCC1=C(C)SC([N-]C(=O)NC(CSC)C(=O)[O-])=N1	REAL300013200138	1	34	-2.0	-115.11	317.31	4.21	-110.90
CCC1=C(C)SC([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013200139	1	40	-2.0	-112.99	358.91	6.83	-106.16
CCC1=C(C)SC([N-]C(=O)NC(CC(C)CC)C(=O)[O-])=N1	REAL300013200140	1	42	-2.0	-117.35	350.67	5.78	-111.57
C=CCCCC(NC(=O)[N-]C1=NC(CC)=C(C)S1)C(=O)[O-]	REAL300013200141	1	40	-2.0	-115.11	349.49	5.89	-109.22
CCC1=C(C)SC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013200142	1	40	-2.0	-112.95	359.30	6.84	-106.11
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=N1	REAL300013200143	1	43	-2.0	-118.66	371.34	8.21	-110.45
CCC1=C(C)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013200144	1	35	-2.0	-120.22	306.75	7.12	-113.10
CCC1=C(C)SC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200145	1	40	-2.0	-124.55	338.77	6.54	-118.01
CCC1=C(C)SC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013200146	1	38	-2.0	-128.73	318.91	7.47	-121.26
CCC1=C(C)SC([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013200147	1	42	-2.0	-116.33	351.94	7.33	-109.00
CCC1=C(C)SC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013200148	1	38	-2.0	-129.87	318.11	6.82	-123.05
CCC1=C(C)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200149	1	37	-2.0	-122.84	330.45	5.91	-116.93
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013200150	1	40	-2.0	-114.11	369.43	6.83	-107.28
CCC1=C(C)SC([N-]C(=O)NC(CC(C)CC)C(=O)[O-])=N1	REAL300013200153	1	42	-2.0	-117.35	350.67	5.78	-111.57
CCC1=C(C)SC([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])=N1	REAL300013200154	1	43	-2.0	-114.48	357.74	8.71	-105.77
CCC1=C(C)SC([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])=N1	REAL300013200155	1	40	-2.0	-116.33	347.22	5.66	-110.67
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013200156	1	39	-2.0	-114.07	348.06	4.99	-109.08
CCC1=C(C)SC([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])=N1	REAL300013200157	1	43	-2.0	-110.69	358.97	6.14	-104.55
CCC1=C(C)SC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N1	REAL300013200158	1	42	-2.0	-110.52	345.81	7.63	-102.89
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1	REAL300013200159	1	36	-2.0	-126.26	326.61	4.24	-122.02
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC)=C(C)S1	REAL300013200160	1	43	-2.0	-125.43	349.66	8.20	-117.23
CCC1=C(C)SC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013200161	1	43	-2.0	-114.50	358.75	8.88	-105.62
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013200164	1	39	-2.0	-114.07	348.06	4.99	-109.08
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300013200165	1	36	-2.0	-119.60	325.13	4.03	-115.57
CCC1=C(C)SC([N-]C(=O)N2CCCC2(COC)C(=O)[O-])=N1	REAL300013200166	1	41	-2.0	-124.34	341.52	6.50	-117.84
CCC1=C(C)SC([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=N1	REAL300013200167	0	41	-2.0	-126.63	349.05	9.72	-116.91
CCC1=C(C)SC([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])=N1	REAL300013200168	0	44	-2.0	-121.09	360.77	9.26	-111.83
CCC1=C(C)SC([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013200169	1	42	-2.0	-114.96	370.35	5.76	-109.20
CCC1=C(C)SC([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300013200170	1	36	-2.0	-116.19	339.22	3.83	-112.36
CCC1=C(C)SC([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300013200171	1	37	-2.0	-108.91	358.15	5.60	-103.31
CCC1=C(C)SC([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=N1	REAL300013200172	1	38	-2.0	-117.38	324.72	5.18	-112.20
CCC1=C(C)SC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200173	1	37	-2.0	-122.97	330.64	5.83	-117.14
CCC1=C(C)SC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300013200174	1	40	-2.0	-120.29	340.12	5.07	-115.22
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013200175	1	40	-2.0	-116.89	331.43	7.49	-109.40
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013200176	1	38	-2.0	-123.88	328.92	1.70	-122.18
CCC1=C(C)SC([N-]C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013200177	1	46	-2.0	-122.14	378.33	9.93	-112.21
CCC1=C(C)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N1	REAL300013200178	1	46	-2.0	-121.33	374.25	4.99	-116.34
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)=N1	REAL300013200179	1	40	-2.0	-122.40	330.13	5.37	-117.03
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300013200180	1	43	-2.0	-124.97	340.05	6.14	-118.83
CCC1=C(C)SC([N-]C(=O)NC(CCOC)C(=O)[O-])=N1	REAL300013200181	1	37	-2.0	-113.25	327.35	2.85	-110.40
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013200182	1	40	-2.0	-123.19	331.63	6.04	-117.15
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=N1	REAL300013200183	1	47	-2.0	-131.79	379.09	8.09	-123.70
CCC1=C(C)SC([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N1	REAL300013200184	1	46	-2.0	-121.70	377.96	5.02	-116.68
CCC1=C(C)SC([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013200185	1	45	-2.0	-127.22	374.53	9.70	-117.52
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013200186	1	38	-2.0	-113.74	321.68	2.76	-110.98
CCC1=C(C)SC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013200187	1	38	-2.0	-126.31	317.49	6.86	-119.45
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=N1	REAL300013200188	1	41	-2.0	-128.41	361.76	5.89	-122.52
CCC1=C(C)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013200189	1	36	-2.0	-121.78	308.47	4.57	-117.21
CCC1=C(C)SC([N-]C(=O)N2CC(C)CCC2C(=O)[O-])=N1	REAL300013200190	1	40	-2.0	-128.76	323.38	7.97	-120.79
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013200191	1	43	-2.0	-117.88	368.09	7.11	-110.77
CCC1=C(C)SC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013200192	1	44	-2.0	-118.00	365.93	6.90	-111.10
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=N1	REAL300013200193	1	50	-2.0	-120.89	387.49	6.43	-114.46
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013200194	1	43	-2.0	-119.96	347.81	5.94	-114.02
CCC1=C(C)SC([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300013200195	1	44	-2.0	-119.70	366.06	5.54	-114.16
CCC1=C(C)SC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300013200196	1	44	-2.0	-128.48	342.91	7.66	-120.82
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=N1	REAL300013200197	1	44	-2.0	-118.86	344.10	4.65	-114.21
CCC1=C(C)SC([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013200198	1	43	-2.0	-118.57	383.56	8.22	-110.35
CCC1=C(C)SC([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])=N1	REAL300013200199	1	44	-2.0	-134.76	361.00	9.64	-125.12
CCC1=C(C)SC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013200200	1	44	-2.0	-118.00	365.93	6.90	-111.10
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013200201	1	40	-2.0	-114.46	359.36	6.84	-107.62
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC(OC)C2)=N1	REAL300013200202	1	38	-2.0	-118.22	326.78	3.21	-115.01
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013200203	1	34	-2.0	-115.15	303.62	4.37	-110.78
CCC1=C(C)SC([N-]C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)=N1	REAL300013200204	1	38	-2.0	-124.06	327.28	3.60	-120.46
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300013200205	1	37	-2.0	-114.06	334.13	5.50	-108.56
CCC1=C(C)SC([N-]C(=O)N2CCCC2(CC)C(=O)[O-])=N1	REAL300013200206	1	40	-2.0	-124.60	325.60	7.51	-117.09
CCC1=C(C)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013200207	1	33	-2.0	-109.37	309.61	4.48	-104.89
CCC1=C(C)SC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013200208	1	41	-2.0	-116.10	347.64	3.82	-112.28
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300013200209	1	37	-2.0	-115.36	344.37	5.80	-109.56
CCC1=C(C)SC([N-]C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200210	1	44	-2.0	-125.68	371.03	5.68	-120.00
CCC1=C(C)SC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013200211	1	38	-2.0	-126.83	318.27	6.53	-120.30
CCC1=C(C)SC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013200212	1	43	-2.0	-114.50	358.75	8.88	-105.62
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])=N1	REAL300013200213	1	44	-2.0	-119.36	391.68	6.34	-113.02
CCC1=C(C)SC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013200214	1	46	-2.0	-118.42	374.39	6.93	-111.49
CCC1=C(C)SC([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013200215	1	43	-2.0	-117.38	375.91	7.55	-109.83
CCC1=C(C)SC([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013200216	1	43	-2.0	-117.24	375.92	7.54	-109.70
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300013200217	1	44	-2.0	-120.86	355.85	6.59	-114.27
CCC1=C(C)SC([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013200218	1	46	-2.0	-118.46	374.17	7.02	-111.44
CCC1=C(C)SC([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013200219	1	46	-2.0	-118.44	374.84	6.96	-111.48
CCC1=C(C)SC([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300013200220	1	44	-2.0	-128.52	359.14	7.80	-120.72
CCC1=C(C)SC([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300013200221	1	44	-2.0	-127.61	353.50	7.48	-120.13
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)=N1	REAL300013200222	1	44	-2.0	-122.98	395.05	6.38	-116.60
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])=N1	REAL300013200223	1	44	-2.0	-116.66	382.44	6.06	-110.60
C=CCSCC(NC(=O)[N-]C1=NC(CC)=C(C)S1)C(=O)[O-]	REAL300013200224	1	38	-2.0	-115.67	351.58	5.66	-110.01
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=N1	REAL300013200225	1	41	-2.0	-111.98	373.49	7.23	-104.75
CCC1=C(C)SC([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=N1	REAL300013200226	1	44	-2.0	-129.91	384.58	6.95	-122.96
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2(OC)CCC2)=N1	REAL300013200227	1	41	-2.0	-116.46	341.45	3.39	-113.07
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=N1	REAL300013200228	1	43	-2.0	-121.24	355.63	6.67	-114.57
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=N1	REAL300013200229	1	44	-2.0	-126.01	361.48	7.78	-118.23
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300013200230	1	37	-2.0	-123.12	328.64	5.25	-117.87
CCC1=C(C)SC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013200231	0	37	-2.0	-117.07	327.76	6.15	-110.92
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013200231	1	36	-3.0	-198.55	325.52	5.01	-193.54
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300013200232	1	49	-2.0	-123.01	406.45	8.14	-114.87
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300013200233	1	46	-2.0	-122.80	390.23	7.82	-114.98
CCC1=C(C)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013200234	1	34	-2.0	-117.65	302.56	5.87	-111.78
CCC1=C(C)SC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013200235	1	36	-2.0	-127.64	312.59	6.65	-120.99
CCC1=C(C)SC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013200236	1	40	-2.0	-125.43	328.44	6.73	-118.70
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(CC)=C(C)S2)C(=O)[O-])C=C1	REAL300013200237	1	44	-2.0	-120.28	381.57	6.03	-114.25
CCC1=C(C)SC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300013200238	1	44	-2.0	-131.24	352.21	8.84	-122.40
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300013200239	1	44	-2.0	-114.12	368.45	8.11	-106.01
CCC1=C(C)SC([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013200240	1	44	-2.0	-123.31	373.10	6.78	-116.53
CCC1=C(C)SC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=N1	REAL300013200241	1	40	-2.0	-115.42	366.46	6.74	-108.68
CCC1=C(C)SC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N1	REAL300013200242	1	42	-2.0	-115.84	355.07	5.82	-110.02
CCC1=C(C)SC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300013200243	1	41	-2.0	-129.33	344.29	7.29	-122.04
CCC1=C(C)SC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013200244	1	41	-2.0	-116.10	347.64	3.82	-112.28
CCC1=C(C)SC([N-]C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])=N1	REAL300013200245	1	38	-2.0	-119.08	338.21	6.88	-112.20
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300013200246	1	41	-2.0	-124.99	329.87	6.51	-118.48
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013200247	1	38	-2.0	-123.72	317.00	5.61	-118.11
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300013200248	1	41	-2.0	-123.30	337.82	5.97	-117.33
CCC1=C(C)SC([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=N1	REAL300013200249	1	47	-2.0	-129.46	371.17	8.24	-121.22
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013200250	1	40	-2.0	-118.80	330.28	5.26	-113.54
CCC1=C(C)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N1	REAL300013200251	1	37	-2.0	-118.17	324.03	3.00	-115.17
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013200252	1	40	-2.0	-118.65	353.55	8.87	-109.78
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300013200253	1	47	-2.0	-123.65	404.42	9.21	-114.44
CCC1=C(C)SC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013200254	1	40	-2.0	-127.36	334.86	6.58	-120.78
CCC1=C(C)SC([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=N1	REAL300013200255	1	41	-2.0	-119.92	357.28	9.11	-110.81
CCC1=C(C)SC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300013200256	1	37	-2.0	-118.65	318.08	7.19	-111.46
CCC1=C(C)SC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013200257	1	34	-2.0	-119.53	306.34	5.85	-113.68
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013200258	1	40	-2.0	-114.46	359.36	6.84	-107.62
CCC1=C(C)SC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013200259	1	37	-2.0	-114.72	342.93	5.71	-109.01
CCC1=C(C)SC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300013200260	1	37	-2.0	-112.22	324.29	6.40	-105.82
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=N1	REAL300013200261	1	41	-2.0	-121.32	357.45	6.41	-114.91
CCC1=C(C)SC([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=N1	REAL300013200262	1	45	-2.0	-122.77	383.32	8.17	-114.60
CCC1=C(C)SC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013200263	1	37	-2.0	-114.72	342.93	5.71	-109.01
CCC1=C(C)SC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013200264	1	41	-2.0	-127.23	333.79	6.92	-120.31
CCC1=C(C)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013200265	1	38	-2.0	-119.87	341.70	2.97	-116.90
CCC1=C(C)SC([N-]C(=O)NC(CCCOC)C(=O)[O-])=N1	REAL300013200266	1	40	-2.0	-115.99	348.85	3.62	-112.37
CCOCC(NC(=O)[N-]C1=NC(CC)=C(C)S1)C(=O)[O-]	REAL300013200267	1	37	-2.0	-118.28	328.22	2.97	-115.31
CCC1=C(C)SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300013200268	1	42	-2.0	-116.83	345.36	6.17	-110.66
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300013200269	1	41	-2.0	-121.69	345.00	3.89	-117.80
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300013200270	1	37	-2.0	-118.35	350.91	6.47	-111.88
CCC1=C(C)SC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013200271	1	41	-2.0	-125.55	350.00	7.04	-118.51
CCC1=C(C)SC([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=N1	REAL300013200272	1	38	-2.0	-123.70	319.46	5.44	-118.26
CCC1=C(C)SC([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=N1	REAL300013200273	1	40	-2.0	-108.33	339.26	7.02	-101.31
CCC1=C(C)SC([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=N1	REAL300013200274	1	51	-2.0	-125.96	387.06	7.86	-118.10
CCC1=C(C)SC([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013200275	1	43	-2.0	-119.59	377.45	7.14	-112.45
CCC1=C(C)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1	REAL300013200276	1	37	-2.0	-118.29	334.77	6.99	-111.30
CCC1=C(C)SC([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=N1	REAL300013200277	1	48	-2.0	-128.25	369.65	7.86	-120.39
CCC1=C(C)SC([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300013200278	1	39	-2.0	-113.46	364.23	5.37	-108.09
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC)=C(C)S2)C1	REAL300013200279	1	41	-2.0	-125.04	351.23	5.72	-119.32
COCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200280	1	44	-2.0	-129.08	386.20	7.00	-122.08
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013200281	1	46	-2.0	-123.19	400.02	10.79	-112.40
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013200282	1	41	-2.0	-122.82	372.96	10.01	-112.81
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013200283	1	42	-2.0	-125.30	369.47	5.87	-119.43
C=CC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200284	1	44	-2.0	-123.71	395.35	8.55	-115.16
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013200285	1	43	-2.0	-124.96	380.85	7.98	-116.98
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013200286	1	44	-2.0	-138.22	380.11	11.01	-127.21
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013200287	1	41	-2.0	-131.98	368.30	9.56	-122.42
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013200288	1	44	-2.0	-130.89	378.79	8.47	-122.42
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013200289	1	34	-2.0	-107.56	321.20	5.57	-101.99
CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200290	1	40	-2.0	-123.19	362.98	7.42	-115.77
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013200291	1	43	-2.0	-124.96	380.85	7.98	-116.98
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013200292	1	37	-2.0	-120.29	342.05	8.53	-111.76
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013200293	1	38	-2.0	-126.93	353.42	3.24	-123.69
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013200294	1	38	-2.0	-126.93	353.42	3.24	-123.69
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013200295	1	37	-2.0	-108.68	341.98	6.39	-102.29
CCC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200296	1	46	-2.0	-124.99	396.01	8.57	-116.42
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013200297	1	37	-2.0	-120.29	342.05	8.53	-111.76
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013200298	1	44	-2.0	-138.22	380.11	11.01	-127.21
CCCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200299	1	46	-2.0	-127.04	389.45	8.48	-118.56
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013200300	1	43	-2.0	-122.33	374.10	9.85	-112.48
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013200301	1	41	-2.0	-122.82	372.96	10.01	-112.81
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1	REAL300013200302	1	41	-2.0	-122.15	376.67	10.07	-112.08
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013200303	1	46	-2.0	-123.19	400.02	10.79	-112.40
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013200304	1	40	-2.0	-105.45	354.56	6.79	-98.66
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013200305	1	44	-2.0	-129.16	380.68	8.56	-120.60
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013200306	1	43	-2.0	-122.33	374.10	9.85	-112.48
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1	REAL300013200307	1	43	-2.0	-121.99	385.36	10.27	-111.72
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1	REAL300013200308	1	40	-2.0	-121.34	363.86	9.51	-111.83
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013200309	1	38	-2.0	-127.02	356.20	3.37	-123.65
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200310	1	46	-2.0	-126.02	394.33	8.41	-117.61
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013200311	1	37	-2.0	-108.68	341.98	6.39	-102.29
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013200312	1	44	-2.0	-130.89	378.79	8.47	-122.42
CCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200313	1	43	-2.0	-126.06	367.95	7.72	-118.34
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013200314	1	37	-2.0	-108.55	345.08	6.54	-102.01
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1	REAL300013200315	1	40	-2.0	-121.34	363.86	9.51	-111.83
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013200316	1	42	-2.0	-134.16	380.22	5.91	-128.25
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013200317	1	37	-2.0	-108.73	345.56	6.48	-102.25
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013200318	1	38	-2.0	-130.03	351.41	7.68	-122.35
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013200319	1	42	-2.0	-131.90	371.54	8.45	-123.45
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013200320	1	41	-2.0	-125.20	370.71	7.89	-117.31
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1	REAL300013200321	1	44	-2.0	-122.99	395.24	8.69	-114.30
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013200322	1	41	-2.0	-133.39	370.36	9.20	-124.19
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013200323	1	44	-2.0	-138.34	380.24	11.05	-127.29
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013200324	1	42	-2.0	-130.80	375.67	6.03	-124.77
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013200325	1	40	-2.0	-114.98	355.88	8.70	-106.28
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013200326	1	41	-2.0	-132.48	368.99	9.31	-123.17
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013200327	1	41	-2.0	-130.81	364.91	8.06	-122.75
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200328	1	41	-2.0	-123.01	376.30	7.87	-115.14
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013200329	1	44	-2.0	-131.61	381.54	9.97	-121.64
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013200330	1	41	-2.0	-125.20	370.71	7.89	-117.31
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013200331	1	40	-2.0	-115.02	356.02	8.76	-106.26
CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200332	1	46	-2.0	-124.15	406.82	8.95	-115.20
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013200333	1	44	-2.0	-131.57	385.39	10.12	-121.45
COCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200334	1	41	-2.0	-126.01	375.19	5.64	-120.37
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013200335	1	46	-2.0	-125.79	393.02	8.53	-117.26
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)=N1	REAL300013200336	1	44	-2.0	-116.33	374.86	9.72	-106.61
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1	REAL300013200337	1	43	-2.0	-121.99	385.36	10.27	-111.72
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013200338	1	34	-2.0	-107.56	321.20	5.57	-101.99
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013200339	1	46	-2.0	-125.35	402.52	8.70	-116.65
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200340	1	44	-2.0	-123.84	397.29	8.75	-115.09
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013200341	1	37	-2.0	-108.08	345.60	6.41	-101.67
CCC(CC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200342	1	46	-2.0	-128.07	384.63	8.61	-119.46
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013200343	1	44	-2.0	-125.00	395.42	8.95	-116.05
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200344	1	44	-2.0	-121.63	396.66	6.48	-115.15
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013200345	1	40	-2.0	-118.26	369.57	7.56	-110.70
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013200346	1	43	-2.0	-120.87	374.54	7.87	-113.00
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013200347	1	40	-2.0	-114.40	356.95	8.75	-105.65
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013200348	1	42	-2.0	-136.45	374.60	10.15	-126.30
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013200349	1	46	-2.0	-125.79	393.02	8.53	-117.26
C=C(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200350	1	44	-2.0	-123.30	396.84	8.62	-114.68
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013200351	1	42	-2.0	-131.61	380.30	5.90	-125.71
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013200352	1	41	-2.0	-126.44	370.93	9.51	-116.93
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3Cl)S2)C1	REAL300013200353	1	42	-2.0	-133.15	381.00	9.99	-123.16
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013200354	1	46	-2.0	-125.35	402.52	8.70	-116.65
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013200355	1	44	-2.0	-125.00	395.42	8.95	-116.05
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300013200356	1	41	-2.0	-128.33	375.71	4.43	-123.90
CSCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200357	1	41	-2.0	-124.01	387.29	7.82	-116.19
COC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200358	1	41	-2.0	-126.04	375.67	5.64	-120.40
CC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200359	1	40	-2.0	-123.24	363.56	7.46	-115.78
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013200360	1	41	-2.0	-133.39	370.36	9.20	-124.19
CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200361	1	43	-2.0	-123.95	385.32	8.17	-115.78
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300013200362	1	43	-2.0	-124.43	378.93	8.01	-116.42
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(C)(C)C(=O)[O-]	REAL300013200363	1	46	-2.0	-128.89	389.59	10.43	-118.46
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(C)C(=O)[O-]	REAL300013200364	1	46	-2.0	-125.14	398.09	11.33	-113.81
CCC[C@@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200365	1	43	-2.0	-124.14	385.32	8.17	-115.97
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300013200366	1	43	-2.0	-127.75	371.09	9.56	-118.19
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013200367	1	41	-2.0	-132.48	368.99	9.31	-123.17
C#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200369	1	39	-2.0	-123.02	369.25	7.83	-115.19
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013200370	1	40	-2.0	-115.02	356.02	8.76	-106.26
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200372	1	44	-2.0	-123.84	397.29	8.75	-115.09
CC#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200373	1	42	-2.0	-125.00	391.08	8.79	-116.21
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013200374	1	44	-2.0	-131.24	384.65	10.09	-121.15
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013200375	1	43	-2.0	-124.96	380.85	7.98	-116.98
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013200376	1	40	-2.0	-114.40	356.95	8.75	-105.65
CCC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200377	1	43	-2.0	-124.03	388.58	8.31	-115.72
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(C)C(=O)[O-]	REAL300013200378	1	43	-2.0	-116.76	375.43	9.60	-107.16
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200379	1	46	-2.0	-126.02	394.33	8.41	-117.61
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1	REAL300013200380	1	43	-2.0	-115.13	376.89	9.73	-105.40
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200381	1	44	-2.0	-121.63	396.66	6.48	-115.15
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013200382	1	44	-2.0	-128.29	387.43	8.76	-119.53
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013200383	1	42	-2.0	-139.46	380.32	6.07	-133.39
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300013200384	1	41	-2.0	-127.52	375.29	9.42	-118.10
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013200385	1	44	-2.0	-126.87	384.47	8.30	-118.57
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013200386	1	44	-2.0	-126.87	384.47	8.30	-118.57
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300013200387	1	44	-2.0	-135.41	390.96	9.78	-125.63
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200388	1	41	-2.0	-123.01	376.30	7.87	-115.14
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013200389	1	39	-2.0	-122.14	359.60	5.24	-116.90
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300013200390	1	46	-2.0	-127.54	384.68	8.42	-119.12
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013200391	1	42	-2.0	-137.30	371.65	10.60	-126.70
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1	REAL300013200392	1	46	-2.0	-117.89	391.24	10.52	-107.37
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013200393	1	41	-2.0	-126.44	370.93	9.51	-116.93
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300013200394	1	41	-2.0	-119.67	372.99	4.18	-115.49
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013200395	1	38	-2.0	-127.02	356.20	3.37	-123.65
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200396	1	44	-2.0	-126.79	397.08	6.78	-120.01
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300013200397	1	44	-2.0	-132.10	386.80	9.04	-123.06
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1	REAL300013200398	1	46	-2.0	-116.93	397.85	10.46	-106.47
CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013200399	1	44	-2.0	-126.98	397.04	6.61	-120.37
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013200400	1	41	-2.0	-117.20	384.68	7.91	-109.29
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013200401	1	40	-2.0	-114.98	355.88	8.70	-106.28
COCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200402	1	44	-2.0	-127.89	383.65	6.86	-121.03
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300013200403	1	47	-2.0	-115.86	405.44	8.88	-106.98
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013200404	1	46	-2.0	-119.71	397.47	10.63	-109.08
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013200405	1	41	-2.0	-120.93	363.25	9.57	-111.36
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013200406	1	42	-2.0	-123.99	366.91	5.72	-118.27
C=CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200407	1	45	-2.0	-125.44	407.88	7.04	-118.40
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013200408	1	45	-2.0	-142.29	381.31	7.27	-135.02
C=CC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200409	1	44	-2.0	-124.02	387.49	8.12	-115.90
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC(C)CC2C(=O)[O-])=N1	REAL300013200410	1	47	-2.0	-138.57	384.54	10.97	-127.60
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013200411	1	43	-2.0	-123.45	373.95	7.57	-115.88
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013200412	1	44	-2.0	-137.42	370.39	10.57	-126.85
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013200413	1	42	-2.0	-129.86	370.55	10.57	-119.29
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013200414	1	47	-2.0	-130.20	387.46	9.29	-120.91
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013200415	1	41	-2.0	-130.86	358.48	9.13	-121.73
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013200416	1	44	-2.0	-129.06	372.94	8.19	-120.87
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013200417	1	34	-2.0	-105.38	318.64	5.41	-99.97
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200418	1	44	-2.0	-130.11	393.80	9.27	-120.84
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200419	1	44	-2.0	-130.67	397.41	9.32	-121.35
CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200420	1	40	-2.0	-121.71	360.43	7.26	-114.45
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013200421	1	43	-2.0	-123.45	373.95	7.57	-115.88
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013200422	1	37	-2.0	-118.45	339.50	8.37	-110.08
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013200423	1	38	-2.0	-125.42	350.87	3.08	-122.34
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013200424	1	38	-2.0	-125.42	350.87	3.08	-122.34
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013200425	1	37	-2.0	-106.47	339.26	6.25	-100.22
CCC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200426	1	46	-2.0	-123.46	393.47	8.42	-115.04
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013200427	1	37	-2.0	-118.45	339.50	8.37	-110.08
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013200428	1	44	-2.0	-137.42	370.39	10.57	-126.85
CCCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200429	1	46	-2.0	-125.81	386.90	8.33	-117.48
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013200430	1	43	-2.0	-120.51	371.54	9.69	-110.82
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013200431	1	41	-2.0	-120.93	363.25	9.57	-111.36
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300013200432	1	41	-2.0	-118.78	374.12	9.92	-108.86
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013200433	1	46	-2.0	-119.71	397.47	10.63	-109.08
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013200434	1	40	-2.0	-103.08	352.01	6.63	-96.45
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013200435	1	44	-2.0	-127.23	374.72	8.28	-118.95
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013200436	1	47	-2.0	-130.20	387.46	9.29	-120.91
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013200437	1	43	-2.0	-120.51	371.54	9.69	-110.82
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300013200438	1	43	-2.0	-118.58	382.81	10.11	-108.47
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300013200439	1	40	-2.0	-119.48	361.31	9.36	-110.12
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013200440	1	38	-2.0	-125.31	346.98	2.95	-122.36
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200441	1	46	-2.0	-124.48	391.77	8.26	-116.22
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013200442	1	37	-2.0	-106.47	339.26	6.25	-100.22
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013200443	1	44	-2.0	-129.06	372.94	8.19	-120.87
CCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200444	1	43	-2.0	-124.79	365.40	7.57	-117.22
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013200445	1	37	-2.0	-106.44	336.04	6.10	-100.34
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300013200446	1	40	-2.0	-119.48	361.31	9.36	-110.12
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013200447	1	42	-2.0	-132.49	369.73	5.75	-126.74
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013200448	1	37	-2.0	-106.60	336.35	6.06	-100.54
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013200449	1	38	-2.0	-128.95	342.20	7.25	-121.70
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013200450	1	42	-2.0	-131.05	361.62	8.14	-122.91
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013200451	1	41	-2.0	-124.37	367.59	7.65	-116.72
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300013200452	1	44	-2.0	-119.44	392.69	8.53	-110.91
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013200453	1	41	-2.0	-131.10	362.65	8.99	-122.11
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013200454	1	44	-2.0	-137.59	373.83	10.74	-126.85
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013200455	1	42	-2.0	-129.29	373.11	5.86	-123.43
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013200456	1	40	-2.0	-112.28	351.01	8.47	-103.81
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013200457	1	41	-2.0	-131.32	362.59	9.00	-122.32
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013200458	1	41	-2.0	-129.24	358.99	7.77	-121.47
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200459	1	41	-2.0	-121.77	374.58	7.70	-114.07
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013200460	1	44	-2.0	-130.24	378.93	9.81	-120.43
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013200461	1	47	-2.0	-136.20	385.33	11.34	-124.86
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013200462	1	41	-2.0	-124.37	367.59	7.65	-116.72
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013200463	1	40	-2.0	-113.23	353.46	8.60	-104.63
CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200464	1	46	-2.0	-122.45	403.43	8.82	-113.63
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013200465	1	44	-2.0	-129.67	375.68	9.69	-119.98
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013200466	1	47	-2.0	-118.87	394.25	10.80	-108.07
COCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200467	1	41	-2.0	-124.51	373.12	5.49	-119.02
CCCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200468	1	49	-2.0	-122.52	424.93	9.60	-112.92
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013200469	1	46	-2.0	-124.31	390.43	8.37	-115.94
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)=N1	REAL300013200470	1	47	-2.0	-131.08	385.44	10.06	-121.02
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)=N1	REAL300013200471	1	44	-2.0	-114.31	368.95	9.44	-104.87
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C1CC1	REAL300013200472	1	47	-2.0	-117.17	392.72	11.13	-106.04
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300013200473	1	43	-2.0	-118.58	382.81	10.11	-108.47
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)=N1	REAL300013200474	1	47	-2.0	-111.30	395.83	10.53	-100.77
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(CC)C(=O)[O-]	REAL300013200475	1	49	-2.0	-125.40	411.92	11.64	-113.76
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013200476	1	34	-2.0	-105.38	318.64	5.41	-99.97
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013200477	1	46	-2.0	-123.77	396.57	8.41	-115.36
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013200478	1	45	-2.0	-125.17	382.20	6.92	-118.25
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200479	1	44	-2.0	-122.49	395.58	8.58	-113.91
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013200480	1	37	-2.0	-105.94	343.05	6.25	-99.69
CCC(CC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200481	1	46	-2.0	-126.47	381.79	8.47	-118.00
CCC(COC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200482	1	47	-2.0	-129.87	400.32	7.76	-122.11
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013200483	1	44	-2.0	-123.25	392.03	8.82	-114.43
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200484	1	44	-2.0	-120.31	394.94	6.31	-114.00
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013200485	1	40	-2.0	-116.79	373.61	7.54	-109.25
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013200486	1	40	-2.0	-116.91	367.85	7.39	-109.52
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013200487	1	43	-2.0	-119.07	371.99	7.71	-111.36
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013200488	1	40	-2.0	-112.59	353.90	8.49	-104.10
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013200489	1	42	-2.0	-135.40	364.82	9.72	-125.68
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013200490	1	46	-2.0	-124.31	390.43	8.37	-115.94
C=C(Cl)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200491	1	41	-2.0	-119.71	390.53	8.30	-111.41
C=C(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200492	1	44	-2.0	-121.77	394.32	8.47	-113.30
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013200493	1	45	-2.0	-135.01	381.75	10.58	-124.43
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013200494	1	42	-2.0	-129.02	370.53	5.47	-123.55
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013200495	1	41	-2.0	-119.72	371.44	9.28	-110.44
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013200496	1	41	-2.0	-125.19	368.35	9.35	-115.84
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013200497	1	42	-2.0	-131.98	375.12	9.70	-122.28
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013200498	1	46	-2.0	-123.77	396.57	8.41	-115.36
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200499	1	44	-2.0	-130.67	397.41	9.32	-121.35
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013200500	1	44	-2.0	-123.25	392.03	8.82	-114.43
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300013200501	1	41	-2.0	-121.47	364.13	4.21	-117.26
CSCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200502	1	41	-2.0	-122.49	384.74	7.66	-114.83
COC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200503	1	41	-2.0	-124.45	369.72	5.36	-119.09
CC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200504	1	40	-2.0	-121.91	361.27	7.24	-114.67
CCC(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200505	1	49	-2.0	-125.00	418.19	9.24	-115.76
C=CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200506	1	47	-2.0	-122.31	416.24	9.38	-112.93
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013200507	1	42	-2.0	-129.86	370.55	10.57	-119.29
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013200508	1	41	-2.0	-131.10	362.65	8.99	-122.11
CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200509	1	43	-2.0	-122.30	381.93	8.04	-114.26
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300013200510	1	43	-2.0	-123.29	373.39	7.57	-115.72
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013200511	1	45	-2.0	-136.88	380.61	10.81	-126.07
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(C)(C)C(=O)[O-]	REAL300013200512	1	46	-2.0	-127.25	387.04	10.27	-116.98
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(C)C(=O)[O-]	REAL300013200513	1	46	-2.0	-121.09	395.49	11.20	-109.89
CCC[C@@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200514	1	43	-2.0	-122.17	379.36	7.88	-114.29
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013200515	1	45	-2.0	-132.32	383.29	10.07	-122.25
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200516	1	44	-2.0	-130.11	393.80	9.27	-120.84
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300013200517	1	43	-2.0	-126.17	368.54	9.40	-116.77
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013200518	1	41	-2.0	-131.32	362.59	9.00	-122.32
CCC(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200520	1	49	-2.0	-125.00	418.19	9.24	-115.76
C#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200521	1	39	-2.0	-121.53	366.70	7.67	-113.86
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013200522	1	40	-2.0	-113.23	353.46	8.60	-104.63
CC(C)=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200523	1	47	-2.0	-123.48	413.10	9.16	-114.32
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N1	REAL300013200524	1	49	-2.0	-116.91	412.61	10.97	-105.94
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200526	1	44	-2.0	-122.49	395.58	8.58	-113.91
CC#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200527	1	42	-2.0	-123.51	388.53	8.63	-114.88
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013200528	1	44	-2.0	-129.68	378.94	9.80	-119.88
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013200529	1	43	-2.0	-122.81	372.38	7.57	-115.24
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200530	1	44	-2.0	-130.21	393.39	9.23	-120.98
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013200531	1	40	-2.0	-112.59	353.90	8.49	-104.10
CCC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200532	1	43	-2.0	-122.24	378.53	7.91	-114.33
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(C)C(=O)[O-]	REAL300013200533	1	43	-2.0	-115.05	372.89	9.44	-105.61
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013200534	1	47	-2.0	-118.87	394.25	10.80	-108.07
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200535	1	46	-2.0	-124.48	391.77	8.26	-116.22
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300013200536	1	43	-2.0	-113.40	374.34	9.57	-103.83
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013200537	1	45	-2.0	-134.38	389.63	4.95	-129.43
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)=N1	REAL300013200538	1	47	-2.0	-130.09	393.94	8.79	-121.30
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200539	1	44	-2.0	-120.31	394.94	6.31	-114.00
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013200540	1	47	-2.0	-131.51	395.51	9.49	-122.02
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013200541	1	44	-2.0	-126.46	384.87	8.60	-117.86
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013200542	1	42	-2.0	-137.54	370.60	5.64	-131.90
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013200543	1	45	-2.0	-120.74	388.49	6.18	-114.56
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013200544	1	45	-2.0	-133.89	380.89	10.28	-123.61
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013200545	1	43	-2.0	-130.22	371.82	7.98	-122.24
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CC(C)CCC2C(=O)[O-])=N1	REAL300013200546	1	47	-2.0	-138.37	386.74	11.40	-126.97
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300013200547	1	41	-2.0	-126.39	365.57	8.99	-117.40
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013200548	1	44	-2.0	-125.28	381.38	8.22	-117.06
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013200549	1	44	-2.0	-125.28	381.38	8.22	-117.06
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300013200550	1	44	-2.0	-133.61	381.25	9.35	-124.26
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200551	1	41	-2.0	-121.77	374.58	7.70	-114.07
COC1CC(NC(=O)[N-]C2=NC(C)=C(CC3=CC=CC(F)=C3)S2)(C(=O)[O-])C1	REAL300013200552	1	45	-2.0	-126.26	390.66	6.65	-119.61
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013200553	1	41	-2.0	-122.55	367.50	7.81	-114.74
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C)=C(CC3=CC=CC(F)=C3)S2)(C(=O)[O-])C1	REAL300013200554	1	45	-2.0	-131.82	391.15	7.04	-124.78
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300013200555	1	47	-2.0	-131.82	392.58	10.74	-121.08
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013200556	1	39	-2.0	-121.00	349.89	4.81	-116.19
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300013200557	1	46	-2.0	-126.28	382.13	8.26	-118.02
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013200558	1	42	-2.0	-135.42	369.18	10.44	-124.98
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013200559	1	45	-2.0	-134.75	385.30	10.06	-124.69
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300013200560	1	46	-2.0	-115.18	389.02	10.38	-104.80
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013200561	1	41	-2.0	-125.19	368.35	9.35	-115.84
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013200562	1	43	-2.0	-128.57	378.35	10.10	-118.47
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013200563	1	47	-2.0	-133.76	390.79	10.08	-123.68
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N1	REAL300013200564	1	49	-2.0	-123.21	421.83	9.31	-113.90
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300013200565	1	41	-2.0	-117.92	363.78	3.75	-114.17
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013200566	1	38	-2.0	-125.31	346.98	2.95	-122.36
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013200567	1	45	-2.0	-131.74	383.76	9.14	-122.60
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013200568	1	47	-2.0	-125.96	397.44	8.83	-117.13
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200569	1	44	-2.0	-125.15	387.87	6.36	-118.79
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300013200570	1	44	-2.0	-131.28	380.42	8.73	-122.55
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013200571	1	47	-2.0	-128.28	398.79	9.98	-118.30
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013200572	1	41	-2.0	-127.88	370.14	9.26	-118.62
COCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200573	1	47	-2.0	-123.38	416.44	7.08	-116.30
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1	REAL300013200574	1	46	-2.0	-115.10	395.31	10.30	-104.80
CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013200575	1	44	-2.0	-125.35	394.49	6.46	-118.89
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300013200576	1	49	-2.0	-124.18	412.11	9.65	-114.53
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=N1	REAL300013200577	1	45	-2.0	-132.16	381.84	8.83	-123.33
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013200578	1	41	-2.0	-115.78	382.10	7.75	-108.03
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013200579	1	40	-2.0	-112.28	351.01	8.47	-103.81
COCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200580	1	44	-2.0	-126.62	380.32	6.74	-119.88
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300013200581	1	47	-2.0	-115.09	402.12	8.75	-106.34
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013200582	1	46	-2.0	-118.00	393.90	10.29	-107.71
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013200583	1	41	-2.0	-119.84	363.22	9.57	-110.27
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013200584	1	42	-2.0	-122.78	366.91	5.71	-117.07
C=CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200585	1	45	-2.0	-124.51	404.56	6.90	-117.61
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013200586	1	45	-2.0	-140.58	384.71	7.34	-133.24
C=CC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200587	1	44	-2.0	-122.47	382.46	7.97	-114.50
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC(C)CC2C(=O)[O-])=N1	REAL300013200588	1	47	-2.0	-136.78	384.60	10.97	-125.81
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013200589	1	43	-2.0	-122.46	370.63	7.45	-115.01
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013200590	1	44	-2.0	-135.74	373.71	10.70	-125.04
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013200591	1	42	-2.0	-128.10	370.59	10.57	-117.53
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013200592	1	47	-2.0	-128.84	390.77	9.41	-119.43
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013200593	1	41	-2.0	-129.65	358.52	9.13	-120.52
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013200594	1	44	-2.0	-127.71	372.91	8.19	-119.52
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013200595	1	34	-2.0	-104.76	315.32	5.28	-99.48
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200596	1	44	-2.0	-129.18	394.09	9.18	-120.00
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200597	1	44	-2.0	-129.67	397.41	9.32	-120.35
CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200598	1	40	-2.0	-120.96	357.94	7.12	-113.84
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013200599	1	43	-2.0	-122.46	370.63	7.45	-115.01
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013200600	1	37	-2.0	-117.23	336.17	8.24	-108.99
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013200601	1	38	-2.0	-124.52	347.54	2.95	-121.57
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013200602	1	38	-2.0	-124.52	347.54	2.95	-121.57
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013200603	1	37	-2.0	-105.88	335.94	6.12	-99.76
CCC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200604	1	46	-2.0	-123.89	392.92	8.32	-115.57
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013200605	1	37	-2.0	-117.23	336.17	8.24	-108.99
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013200606	1	44	-2.0	-135.74	373.71	10.70	-125.04
CCCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200607	1	46	-2.0	-124.51	383.57	8.21	-116.30
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013200608	1	43	-2.0	-119.25	368.21	9.57	-109.68
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013200609	1	41	-2.0	-119.84	363.22	9.57	-110.27
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300013200610	1	41	-2.0	-118.60	370.80	9.79	-108.81
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013200611	1	46	-2.0	-118.00	393.90	10.29	-107.71
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013200612	1	40	-2.0	-102.51	348.69	6.51	-96.00
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013200613	1	44	-2.0	-125.92	374.77	8.28	-117.64
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013200614	1	47	-2.0	-128.84	390.77	9.41	-119.43
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013200615	1	43	-2.0	-119.25	368.21	9.57	-109.68
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300013200616	1	43	-2.0	-118.48	379.48	9.99	-108.49
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300013200617	1	40	-2.0	-118.23	357.98	9.23	-109.00
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013200618	1	38	-2.0	-124.49	347.51	2.96	-121.53
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200619	1	46	-2.0	-123.80	392.50	8.21	-115.59
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013200620	1	37	-2.0	-105.88	335.94	6.12	-99.76
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013200621	1	44	-2.0	-127.71	372.91	8.19	-119.52
CCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200622	1	43	-2.0	-123.58	362.07	7.46	-116.12
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013200623	1	37	-2.0	-105.83	335.91	6.12	-99.71
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300013200624	1	40	-2.0	-118.23	357.98	9.23	-109.00
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013200625	1	42	-2.0	-131.18	369.75	5.74	-125.44
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013200626	1	37	-2.0	-105.91	336.39	6.06	-99.85
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013200627	1	38	-2.0	-127.48	342.22	7.25	-120.23
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013200628	1	42	-2.0	-129.41	361.66	8.15	-121.26
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013200629	1	41	-2.0	-123.47	367.64	7.66	-115.81
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300013200630	1	44	-2.0	-119.40	389.36	8.40	-111.00
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013200631	1	41	-2.0	-129.57	359.25	8.86	-120.71
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013200632	1	44	-2.0	-135.84	370.44	10.61	-125.23
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013200633	1	42	-2.0	-129.11	373.94	5.59	-123.52
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013200634	1	40	-2.0	-111.48	350.54	8.36	-103.12
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013200635	1	41	-2.0	-130.09	359.26	8.88	-121.21
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013200636	1	41	-2.0	-127.84	359.03	7.77	-120.07
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200637	1	41	-2.0	-120.61	370.42	7.58	-113.03
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013200638	1	44	-2.0	-128.98	375.58	9.68	-119.30
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013200639	1	47	-2.0	-134.43	385.38	11.34	-123.09
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013200640	1	41	-2.0	-123.47	367.64	7.66	-115.81
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013200641	1	40	-2.0	-112.47	350.15	8.48	-103.99
CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200642	1	46	-2.0	-121.66	400.93	8.66	-113.00
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013200643	1	44	-2.0	-128.92	375.67	9.69	-119.23
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013200644	1	47	-2.0	-118.80	394.29	10.80	-108.00
COCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200645	1	41	-2.0	-123.56	369.80	5.35	-118.21
CCCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200646	1	49	-2.0	-121.70	422.43	9.44	-112.26
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013200647	1	46	-2.0	-124.06	388.70	8.23	-115.83
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)=N1	REAL300013200648	1	47	-2.0	-129.85	388.83	10.18	-119.67
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)=N1	REAL300013200649	1	44	-2.0	-113.39	369.00	9.44	-103.95
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C1CC1	REAL300013200650	1	47	-2.0	-116.39	392.77	11.13	-105.26
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300013200651	1	43	-2.0	-118.48	379.48	9.99	-108.49
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)=N1	REAL300013200652	1	47	-2.0	-110.92	395.25	10.44	-100.48
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(CC)C(=O)[O-]	REAL300013200653	1	49	-2.0	-124.05	408.26	11.52	-112.53
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013200654	1	34	-2.0	-104.76	315.32	5.28	-99.48
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013200655	1	46	-2.0	-122.67	395.78	8.44	-114.23
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013200656	1	45	-2.0	-123.69	378.85	6.80	-116.89
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200657	1	44	-2.0	-121.51	392.25	8.44	-113.07
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013200658	1	37	-2.0	-105.19	339.73	6.13	-99.06
CCC(CC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200659	1	46	-2.0	-125.54	378.75	8.35	-117.19
CCC(COC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200660	1	47	-2.0	-128.51	396.99	7.65	-120.86
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013200661	1	44	-2.0	-122.26	388.69	8.69	-113.57
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200662	1	44	-2.0	-119.33	391.61	6.18	-113.15
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013200663	1	40	-2.0	-115.71	370.29	7.40	-108.31
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013200664	1	40	-2.0	-115.94	364.53	7.25	-108.69
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013200665	1	43	-2.0	-117.76	368.67	7.59	-110.17
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013200666	1	40	-2.0	-111.93	353.89	8.49	-103.44
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013200667	1	42	-2.0	-133.74	364.86	9.71	-124.03
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013200668	1	46	-2.0	-124.06	388.70	8.23	-115.83
C=C(Cl)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200669	1	41	-2.0	-118.55	386.38	8.20	-110.35
C=C(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200670	1	44	-2.0	-121.13	391.79	8.31	-112.82
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013200671	1	45	-2.0	-133.26	378.43	10.46	-122.80
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013200672	1	42	-2.0	-128.14	370.56	5.47	-122.67
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013200673	1	41	-2.0	-119.06	374.82	9.42	-109.64
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013200674	1	41	-2.0	-124.05	364.97	9.23	-114.82
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013200675	1	42	-2.0	-130.72	371.77	9.58	-121.14
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013200676	1	46	-2.0	-122.67	395.78	8.44	-114.23
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200677	1	44	-2.0	-129.67	397.41	9.32	-120.35
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013200678	1	44	-2.0	-122.26	388.69	8.69	-113.57
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300013200679	1	41	-2.0	-120.45	364.66	4.23	-116.22
CSCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200680	1	41	-2.0	-121.48	381.41	7.53	-113.95
COC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200681	1	41	-2.0	-123.55	369.76	5.36	-118.19
CC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200682	1	40	-2.0	-120.90	361.02	7.31	-113.59
CCC(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200683	1	49	-2.0	-123.73	414.10	9.14	-114.59
C=CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200684	1	47	-2.0	-121.53	413.75	9.22	-112.31
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013200685	1	42	-2.0	-128.10	370.59	10.57	-117.53
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013200686	1	41	-2.0	-129.57	359.25	8.86	-120.71
CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200687	1	43	-2.0	-121.50	379.44	7.88	-113.62
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300013200688	1	43	-2.0	-121.27	373.03	7.72	-113.55
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013200689	1	45	-2.0	-136.34	381.35	10.85	-125.49
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(C)(C)C(=O)[O-]	REAL300013200690	1	46	-2.0	-125.68	383.71	10.15	-115.53
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(C)C(=O)[O-]	REAL300013200691	1	46	-2.0	-114.16	390.90	10.16	-104.00
CCC[C@@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200692	1	43	-2.0	-121.09	379.40	7.88	-113.21
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013200693	1	45	-2.0	-129.99	386.60	10.19	-119.80
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200694	1	44	-2.0	-129.18	394.09	9.18	-120.00
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300013200695	1	43	-2.0	-124.71	365.22	9.28	-115.43
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013200696	1	41	-2.0	-130.09	359.26	8.88	-121.21
CCC(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200698	1	49	-2.0	-123.73	414.10	9.14	-114.59
C#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200699	1	39	-2.0	-120.61	363.38	7.55	-113.06
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013200700	1	40	-2.0	-112.47	350.15	8.48	-103.99
CC(C)=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200701	1	47	-2.0	-122.66	410.61	9.02	-113.64
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N1	REAL300013200702	1	49	-2.0	-114.41	408.31	10.91	-103.50
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200704	1	44	-2.0	-121.51	392.25	8.44	-113.07
CC#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200705	1	42	-2.0	-122.55	385.20	8.51	-114.04
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013200706	1	44	-2.0	-128.53	375.59	9.68	-118.85
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013200707	1	43	-2.0	-121.38	375.44	7.79	-113.59
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013200708	1	44	-2.0	-129.61	394.04	9.20	-120.41
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013200709	1	40	-2.0	-111.93	353.89	8.49	-103.44
CCC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200710	1	43	-2.0	-121.51	379.40	7.89	-113.62
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(C)C(=O)[O-]	REAL300013200711	1	43	-2.0	-114.26	369.56	9.31	-104.95
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013200712	1	47	-2.0	-118.80	394.29	10.80	-108.00
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200713	1	46	-2.0	-123.80	392.50	8.21	-115.59
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300013200714	1	43	-2.0	-112.64	374.35	9.57	-103.07
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013200715	1	45	-2.0	-130.36	391.31	5.05	-125.31
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)=N1	REAL300013200716	1	47	-2.0	-128.90	397.33	8.94	-119.96
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200717	1	44	-2.0	-119.33	391.61	6.18	-113.15
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013200718	1	47	-2.0	-129.79	398.82	9.60	-120.19
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013200719	1	44	-2.0	-125.12	381.51	8.48	-116.64
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013200720	1	42	-2.0	-136.83	373.91	5.76	-131.07
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013200721	1	45	-2.0	-119.55	385.14	6.05	-113.50
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013200722	1	45	-2.0	-133.23	380.92	10.28	-122.95
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013200723	1	43	-2.0	-128.79	371.86	8.00	-120.79
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CC(C)CCC2C(=O)[O-])=N1	REAL300013200724	1	47	-2.0	-136.64	386.80	11.40	-125.24
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300013200725	1	41	-2.0	-125.20	368.89	9.12	-116.08
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013200726	1	44	-2.0	-124.49	381.91	8.14	-116.35
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013200727	1	44	-2.0	-124.49	381.91	8.14	-116.35
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300013200728	1	44	-2.0	-132.44	384.56	9.47	-122.97
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200729	1	41	-2.0	-120.61	370.42	7.58	-113.03
COC1CC(NC(=O)[N-]C2=NC(C)=C(CC3=CC=C(F)C=C3)S2)(C(=O)[O-])C1	REAL300013200730	1	45	-2.0	-124.95	393.97	6.77	-118.18
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013200731	1	41	-2.0	-121.34	370.82	7.93	-113.41
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C)=C(CC3=CC=C(F)C=C3)S2)(C(=O)[O-])C1	REAL300013200732	1	45	-2.0	-130.62	391.29	7.03	-123.59
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300013200733	1	47	-2.0	-130.42	392.58	10.74	-119.68
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013200734	1	39	-2.0	-119.28	349.87	4.81	-114.47
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300013200735	1	46	-2.0	-124.87	377.00	8.07	-116.80
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013200736	1	42	-2.0	-134.62	365.79	10.31	-124.31
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013200737	1	45	-2.0	-133.49	381.61	9.91	-123.58
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300013200738	1	46	-2.0	-123.40	386.79	10.78	-112.62
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013200739	1	41	-2.0	-124.05	364.97	9.23	-114.82
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013200740	1	43	-2.0	-124.58	373.77	10.03	-114.55
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013200741	1	47	-2.0	-132.41	390.84	10.08	-122.33
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N1	REAL300013200742	1	49	-2.0	-122.10	418.50	9.18	-112.92
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300013200743	1	41	-2.0	-117.04	363.82	3.76	-113.28
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013200744	1	38	-2.0	-124.49	347.51	2.96	-121.53
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013200745	1	45	-2.0	-130.40	380.40	9.01	-121.39
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013200746	1	47	-2.0	-124.67	394.10	8.70	-115.97
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200747	1	44	-2.0	-124.15	387.42	6.36	-117.79
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300013200748	1	44	-2.0	-130.29	380.90	8.79	-121.50
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013200749	1	47	-2.0	-127.99	398.76	9.98	-118.01
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013200750	1	41	-2.0	-126.61	370.18	9.26	-117.35
COCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200751	1	47	-2.0	-122.37	413.11	6.95	-115.42
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300013200752	1	46	-2.0	-114.31	391.98	10.18	-104.13
CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200753	1	44	-2.0	-124.51	391.17	6.33	-118.18
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300013200754	1	49	-2.0	-123.12	408.80	9.53	-113.59
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=N1	REAL300013200755	1	45	-2.0	-131.70	381.91	8.83	-122.87
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013200756	1	41	-2.0	-114.89	378.79	7.62	-107.27
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013200757	1	40	-2.0	-111.48	350.54	8.36	-103.12
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013200758	1	34	-2.0	-104.86	333.53	5.96	-98.90
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013200759	1	37	-2.0	-117.79	354.38	8.92	-108.87
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013200760	1	37	-2.0	-105.85	354.15	6.80	-99.05
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013200761	1	37	-2.0	-117.79	354.38	8.92	-108.87
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013200762	1	37	-2.0	-105.85	354.15	6.80	-99.05
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013200763	1	37	-2.0	-105.87	350.92	6.65	-99.22
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013200764	1	37	-2.0	-105.77	350.92	6.65	-99.12
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013200765	1	34	-2.0	-104.86	333.53	5.96	-98.90
COCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200766	1	44	-2.0	-125.39	388.83	7.21	-118.18
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300013200767	1	46	-2.0	-116.43	402.41	10.76	-105.67
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CC2)S1	REAL300013200768	1	41	-2.0	-118.81	371.75	10.04	-108.77
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300013200769	1	42	-2.0	-121.80	372.11	6.07	-115.73
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200770	1	44	-2.0	-119.11	396.46	8.75	-110.36
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S1	REAL300013200771	1	43	-2.0	-121.47	379.16	7.92	-113.55
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCCCC2C(=O)[O-])S1	REAL300013200772	1	44	-2.0	-135.07	379.06	11.00	-124.07
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCCC2C(=O)[O-])S1	REAL300013200773	1	41	-2.0	-128.69	367.08	9.60	-119.09
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300013200774	1	44	-2.0	-126.61	382.82	8.75	-117.86
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCC(=O)[O-])S1	REAL300013200775	1	34	-2.0	-103.57	323.85	5.75	-97.82
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200776	1	40	-2.0	-119.57	366.47	7.60	-111.97
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S1	REAL300013200777	1	43	-2.0	-121.47	379.16	7.92	-113.55
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)CC(=O)[O-])S1	REAL300013200778	1	37	-2.0	-116.31	344.68	8.71	-107.60
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(CO)C(=O)[O-])S1	REAL300013200779	1	38	-2.0	-123.13	355.93	3.47	-119.66
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(CO)C(=O)[O-])S1	REAL300013200780	1	38	-2.0	-123.13	355.93	3.47	-119.66
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C)C(=O)[O-])S1	REAL300013200781	1	37	-2.0	-104.82	344.94	6.53	-98.29
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200782	1	46	-2.0	-122.47	397.12	8.57	-113.90
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)CC(=O)[O-])S1	REAL300013200783	1	37	-2.0	-116.31	344.68	8.71	-107.60
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCCCC2C(=O)[O-])S1	REAL300013200784	1	44	-2.0	-135.07	379.06	11.00	-124.07
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200785	1	46	-2.0	-123.52	392.09	8.66	-114.86
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S1	REAL300013200786	1	43	-2.0	-118.35	376.81	10.04	-108.31
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CC2)S1	REAL300013200787	1	41	-2.0	-118.81	371.75	10.04	-108.77
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1	REAL300013200788	1	41	-2.0	-116.89	380.68	10.35	-106.54
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300013200789	1	46	-2.0	-116.43	402.41	10.76	-105.67
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C)(C)C(=O)[O-])S1	REAL300013200790	1	40	-2.0	-101.28	357.21	6.98	-94.30
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300013200791	1	44	-2.0	-125.25	380.71	8.62	-116.63
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S1	REAL300013200792	1	43	-2.0	-118.35	376.81	10.04	-108.31
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1	REAL300013200793	1	43	-2.0	-116.92	387.99	10.46	-106.46
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1	REAL300013200794	1	40	-2.0	-117.32	366.50	9.70	-107.62
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S1	REAL300013200795	1	38	-2.0	-123.46	356.07	3.43	-120.03
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200796	1	46	-2.0	-122.71	397.70	8.56	-114.15
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C)C(=O)[O-])S1	REAL300013200797	1	37	-2.0	-104.82	344.94	6.53	-98.29
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300013200798	1	44	-2.0	-126.61	382.82	8.75	-117.86
CCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200799	1	43	-2.0	-122.29	370.60	7.92	-114.37
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@@H](C)C(=O)[O-])S1	REAL300013200800	1	37	-2.0	-104.72	344.64	6.58	-98.14
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1	REAL300013200801	1	40	-2.0	-117.32	366.50	9.70	-107.62
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])S1	REAL300013200802	1	42	-2.0	-130.40	378.22	6.22	-124.18
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@H](C)C(=O)[O-])S1	REAL300013200803	1	37	-2.0	-104.83	344.93	6.53	-98.30
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC2)S1	REAL300013200804	1	38	-2.0	-127.10	350.79	7.73	-119.37
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCOCC2C(=O)[O-])S1	REAL300013200805	1	42	-2.0	-128.64	370.18	8.61	-120.03
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CC2)S1	REAL300013200806	1	41	-2.0	-122.10	370.70	8.07	-114.03
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1	REAL300013200807	1	44	-2.0	-117.74	397.87	8.87	-108.87
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300013200808	1	41	-2.0	-128.79	367.77	9.34	-119.45
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300013200809	1	44	-2.0	-134.97	379.12	11.02	-123.95
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300013200810	1	42	-2.0	-127.30	378.30	6.22	-121.08
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S1	REAL300013200811	1	40	-2.0	-110.38	359.10	8.83	-101.55
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300013200812	1	41	-2.0	-128.46	368.39	9.69	-118.77
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC2)S1	REAL300013200813	1	41	-2.0	-127.12	367.62	8.25	-118.87
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200814	1	41	-2.0	-119.40	379.50	8.11	-111.29
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300013200815	1	44	-2.0	-128.07	384.21	10.16	-117.91
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CC2)S1	REAL300013200816	1	41	-2.0	-122.10	370.70	8.07	-114.03
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)C(C)C(=O)[O-])S1	REAL300013200817	1	40	-2.0	-110.46	359.59	8.94	-101.52
CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200818	1	46	-2.0	-120.34	409.46	9.14	-111.20
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300013200819	1	44	-2.0	-128.10	384.12	10.16	-117.94
COCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200820	1	41	-2.0	-122.21	378.19	5.87	-116.34
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300013200821	1	46	-2.0	-122.30	395.63	8.71	-113.59
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300013200822	1	44	-2.0	-112.43	377.52	9.91	-102.52
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1	REAL300013200823	1	43	-2.0	-116.92	387.99	10.46	-106.46
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCC(=O)[O-])S1	REAL300013200824	1	34	-2.0	-103.57	323.85	5.75	-97.82
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300013200825	1	46	-2.0	-121.64	404.90	8.99	-112.65
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200826	1	44	-2.0	-119.87	400.53	8.98	-110.89
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(CF)C(=O)[O-])S1	REAL300013200827	1	37	-2.0	-104.22	348.56	6.57	-97.65
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200828	1	46	-2.0	-124.63	387.27	8.81	-115.82
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300013200829	1	44	-2.0	-120.81	398.33	9.09	-111.72
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200830	1	44	-2.0	-117.89	399.90	6.71	-111.18
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(CCF)C(=O)[O-])S1	REAL300013200831	1	40	-2.0	-114.45	372.82	7.79	-106.66
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S1	REAL300013200832	1	43	-2.0	-116.98	377.18	8.07	-108.91
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S1	REAL300013200833	1	40	-2.0	-110.64	359.09	8.83	-101.81
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300013200834	1	42	-2.0	-133.16	373.40	10.18	-122.98
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300013200835	1	46	-2.0	-122.30	395.63	8.71	-113.59
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200836	1	44	-2.0	-119.49	396.99	9.13	-110.36
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])S1	REAL300013200837	1	42	-2.0	-127.71	379.09	5.93	-121.78
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013200838	1	41	-2.0	-122.80	374.90	9.78	-113.02
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=C(Cl)C=C3C)S2)C1	REAL300013200839	1	42	-2.0	-129.76	380.24	10.06	-119.70
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300013200840	1	46	-2.0	-121.64	404.90	8.99	-112.65
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300013200841	1	44	-2.0	-120.81	398.33	9.09	-111.72
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)S1	REAL300013200842	1	41	-2.0	-119.36	373.21	4.70	-114.66
CSCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200843	1	41	-2.0	-120.03	389.92	8.01	-112.02
COC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200844	1	41	-2.0	-122.51	377.83	5.82	-116.69
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200845	1	40	-2.0	-119.72	365.63	7.61	-112.11
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300013200846	1	41	-2.0	-128.79	367.77	9.34	-119.45
CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200847	1	43	-2.0	-119.95	387.72	8.42	-111.53
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300013200848	1	43	-2.0	-120.39	381.59	8.20	-112.19
CCN(C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(C)(C)C(=O)[O-]	REAL300013200849	1	46	-2.0	-125.05	392.23	10.62	-114.43
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(C)C(=O)[O-]	REAL300013200850	1	46	-2.0	-111.70	397.22	10.46	-101.24
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200851	1	43	-2.0	-119.98	387.72	8.42	-111.56
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)C(C)(C)C(=O)[O-])S1	REAL300013200852	1	43	-2.0	-124.00	373.74	9.76	-114.24
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300013200853	1	41	-2.0	-128.46	368.39	9.69	-118.77
C#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200855	1	39	-2.0	-119.39	372.73	8.01	-111.38
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)C(C)C(=O)[O-])S1	REAL300013200856	1	40	-2.0	-110.46	359.59	8.94	-101.52
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200858	1	44	-2.0	-119.87	400.53	8.98	-110.89
CC#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200859	1	42	-2.0	-121.22	394.32	9.02	-112.20
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300013200860	1	44	-2.0	-127.82	384.09	10.16	-117.66
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300013200861	1	43	-2.0	-121.41	379.15	7.92	-113.49
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S1	REAL300013200862	1	40	-2.0	-110.64	359.09	8.83	-101.81
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200863	1	43	-2.0	-120.46	387.96	8.35	-112.11
CCN(C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(C)C(=O)[O-]	REAL300013200864	1	43	-2.0	-111.51	375.77	9.62	-101.89
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200865	1	46	-2.0	-122.71	397.70	8.56	-114.15
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1	REAL300013200866	1	43	-2.0	-112.03	378.97	10.03	-102.00
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200867	1	44	-2.0	-117.89	399.90	6.71	-111.18
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300013200868	1	44	-2.0	-123.60	395.19	8.72	-114.88
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])S1	REAL300013200869	1	42	-2.0	-135.93	379.09	6.11	-129.82
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300013200870	1	41	-2.0	-124.35	374.09	9.46	-114.89
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300013200871	1	44	-2.0	-122.39	391.33	8.64	-113.75
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300013200872	1	44	-2.0	-122.39	391.33	8.64	-113.75
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCC(C)C2C(=O)[O-])S1	REAL300013200873	1	44	-2.0	-129.56	380.81	10.15	-119.41
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200874	1	41	-2.0	-119.40	379.50	8.11	-111.29
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC2(C(=O)[O-])COC2)S1	REAL300013200875	1	39	-2.0	-118.52	358.41	5.28	-113.24
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)S1	REAL300013200876	1	46	-2.0	-123.90	385.53	8.53	-115.37
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013200877	1	42	-2.0	-133.60	375.74	10.87	-122.73
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1	REAL300013200878	1	46	-2.0	-112.16	392.77	10.59	-101.57
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013200879	1	41	-2.0	-122.80	374.90	9.78	-113.02
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)S1	REAL300013200880	1	41	-2.0	-115.44	370.42	4.12	-111.32
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S1	REAL300013200881	1	38	-2.0	-123.46	356.07	3.43	-120.03
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200882	1	44	-2.0	-123.24	396.46	6.83	-116.41
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)S1	REAL300013200883	1	44	-2.0	-127.48	380.61	8.78	-118.70
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1	REAL300013200884	1	46	-2.0	-112.34	401.03	10.69	-101.65
CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013200885	1	44	-2.0	-122.93	400.18	6.81	-116.12
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(CCC#N)C(=O)[O-])S1	REAL300013200886	1	41	-2.0	-113.43	387.08	8.15	-105.28
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S1	REAL300013200887	1	40	-2.0	-110.38	359.10	8.83	-101.55
CC1=C(CC2=CC=C(OC(F)(F)F)C=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013200888	1	38	-2.0	-104.62	354.88	5.01	-99.61
CC1=C(CC2=CC=C(OC(F)(F)F)C=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013200889	1	38	-2.0	-104.62	354.88	5.01	-99.61
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C(=O)[O-])C=C1	REAL300013200890	1	44	-2.0	-127.41	401.05	9.64	-117.77
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200891	1	37	-2.0	-113.00	359.39	7.58	-105.42
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCSCC1	REAL300013200892	1	42	-2.0	-119.78	370.91	8.67	-111.11
COCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200893	1	41	-2.0	-124.40	366.09	6.41	-117.99
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200894	1	44	-2.0	-113.20	388.20	8.41	-104.79
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200895	1	43	-2.0	-115.82	379.66	9.98	-105.84
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CC1	REAL300013200896	1	38	-2.0	-118.02	349.00	9.27	-108.75
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCOC1	REAL300013200897	1	39	-2.0	-120.91	349.35	5.29	-115.62
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCCCC1	REAL300013200898	1	47	-2.0	-124.30	397.44	9.02	-115.28
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200899	1	42	-2.0	-122.81	390.32	6.60	-116.21
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200900	1	42	-2.0	-138.87	367.10	6.89	-131.98
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200901	1	41	-2.0	-118.19	373.71	7.97	-110.22
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCOCC1	REAL300013200902	1	45	-2.0	-123.32	388.19	6.61	-116.71
COC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C(C(=O)[O-])C1	REAL300013200903	1	45	-2.0	-133.48	388.78	9.24	-124.24
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCCOC1	REAL300013200904	1	45	-2.0	-119.71	388.17	6.62	-113.09
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C(C(=O)[O-])C1	REAL300013200905	1	44	-2.0	-134.62	377.23	10.84	-123.78
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200906	1	40	-2.0	-119.48	358.82	7.42	-112.06
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200907	1	41	-2.0	-134.05	356.31	10.22	-123.83
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200908	1	39	-2.0	-126.46	356.38	10.27	-116.19
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCCCC1	REAL300013200909	1	44	-2.0	-126.93	373.22	8.98	-117.95
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200910	1	38	-2.0	-127.74	344.32	8.82	-118.92
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCCC1	REAL300013200911	1	41	-2.0	-125.93	358.71	7.88	-118.05
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCCCCC1	REAL300013200912	1	47	-2.0	-126.99	378.88	9.64	-117.35
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200913	1	44	-2.0	-121.72	402.07	9.82	-111.90
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200914	1	44	-2.0	-119.30	402.72	11.93	-107.37
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200915	1	31	-2.0	-102.95	301.08	4.98	-97.97
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1=CC=CC=C1	REAL300013200916	1	41	-2.0	-127.29	379.88	8.88	-118.41
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1=CC=CC=C1	REAL300013200917	1	41	-2.0	-127.27	379.23	8.93	-118.34
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200918	1	37	-2.0	-118.68	343.70	6.81	-111.87
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200919	1	40	-2.0	-119.48	358.82	7.42	-112.06
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200920	1	34	-2.0	-115.41	321.94	7.94	-107.47
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200921	1	35	-2.0	-122.20	333.31	2.65	-119.55
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200922	1	35	-2.0	-122.20	333.31	2.65	-119.55
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200923	1	44	-2.0	-121.72	402.07	9.82	-111.90
CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200924	1	34	-2.0	-103.90	321.87	5.80	-98.10
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200925	1	43	-2.0	-121.19	373.63	7.84	-113.35
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200926	1	34	-2.0	-115.41	321.94	7.94	-107.47
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200927	1	41	-2.0	-134.05	356.31	10.22	-123.83
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200928	1	43	-2.0	-122.65	369.34	7.89	-114.76
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200929	1	40	-2.0	-117.50	353.98	9.26	-108.24
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CC1	REAL300013200930	1	38	-2.0	-118.02	349.00	9.27	-108.75
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200931	1	38	-2.0	-116.43	356.56	9.48	-106.95
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200932	1	43	-2.0	-115.82	379.66	9.98	-105.84
CC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200933	1	37	-2.0	-100.72	334.45	6.20	-94.52
CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)(C(=O)[O-])C1CC1	REAL300013200934	1	41	-2.0	-124.25	360.57	7.97	-116.28
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1=CC=CS1	REAL300013200935	1	38	-2.0	-123.99	371.50	7.97	-116.02
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCCCC1	REAL300013200936	1	44	-2.0	-126.93	373.22	8.98	-117.95
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200937	1	40	-2.0	-117.50	353.98	9.26	-108.24
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200938	1	40	-2.0	-116.23	365.25	9.68	-106.55
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200939	1	37	-2.0	-116.46	343.75	8.92	-107.54
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200940	1	35	-2.0	-122.53	332.82	2.64	-119.89
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200941	1	43	-2.0	-121.33	373.28	7.77	-113.56
CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200942	1	34	-2.0	-103.90	321.87	5.80	-98.10
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCCC1	REAL300013200943	1	41	-2.0	-125.93	358.71	7.88	-118.05
CCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200944	1	40	-2.0	-121.36	347.84	7.14	-114.22
CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013200945	1	44	-2.0	-129.04	387.96	9.64	-119.40
C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200946	1	34	-2.0	-104.02	321.87	5.80	-98.22
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200947	1	37	-2.0	-116.46	343.75	8.92	-107.54
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200948	1	39	-2.0	-128.82	355.57	5.43	-123.39
C[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200949	1	34	-2.0	-104.12	322.18	5.75	-98.37
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013200950	1	35	-2.0	-125.79	328.02	6.95	-118.84
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200951	1	39	-2.0	-127.69	347.43	7.83	-119.86
CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1(C(=O)[O-])CCCCC1	REAL300013200952	1	47	-2.0	-125.88	384.63	10.70	-115.18
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CC1	REAL300013200953	1	38	-2.0	-121.19	347.93	7.29	-113.90
CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013200954	1	44	-2.0	-120.18	389.42	10.87	-109.31
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200955	1	41	-2.0	-117.09	375.13	8.09	-109.00
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200956	1	38	-2.0	-128.51	346.39	8.46	-120.05
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200957	1	41	-2.0	-134.12	356.23	10.30	-123.82
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200958	1	39	-2.0	-126.80	355.54	5.44	-121.36
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200959	1	37	-2.0	-109.68	336.34	8.06	-101.62
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200960	1	38	-2.0	-128.28	345.13	8.55	-119.73
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCC1	REAL300013200961	1	38	-2.0	-126.08	344.86	7.47	-118.61
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200962	1	38	-2.0	-118.64	356.98	7.27	-111.37
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200963	1	41	-2.0	-127.14	361.46	9.38	-117.76
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200964	1	44	-2.0	-132.77	371.16	11.03	-121.74
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CC1	REAL300013200965	1	38	-2.0	-121.19	347.93	7.29	-113.90
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200966	1	37	-2.0	-109.65	336.34	8.06	-101.59
CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200967	1	43	-2.0	-119.45	386.70	8.35	-111.10
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200968	1	41	-2.0	-127.16	361.37	9.37	-117.79
CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1(C(=O)[O-])CCCCC1	REAL300013200969	1	47	-2.0	-125.88	384.63	10.70	-115.18
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCCC1	REAL300013200970	1	44	-2.0	-116.74	380.08	10.49	-106.25
COCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200971	1	38	-2.0	-121.29	355.56	5.05	-116.24
CCCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200972	1	46	-2.0	-119.53	408.20	9.13	-110.40
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200973	1	43	-2.0	-121.32	372.88	7.94	-113.38
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCOCC1	REAL300013200974	1	45	-2.0	-116.87	388.52	8.82	-108.05
CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1(C(=O)[O-])CCCC1	REAL300013200975	1	44	-2.0	-128.06	371.27	9.75	-118.31
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CC1	REAL300013200976	1	41	-2.0	-109.95	361.47	10.62	-99.33
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CC1	REAL300013200977	1	44	-2.0	-114.48	378.26	10.67	-103.81
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200978	1	40	-2.0	-116.23	365.25	9.68	-106.55
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CC1	REAL300013200979	1	45	-2.0	-112.06	391.10	10.05	-102.01
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCC1	REAL300013200980	1	44	-2.0	-109.12	377.75	10.07	-99.05
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(COC)C(=O)[O-]	REAL300013200981	1	47	-2.0	-115.95	403.27	9.21	-106.74
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(CC)C(=O)[O-]	REAL300013200982	1	46	-2.0	-111.65	391.48	10.62	-101.03
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200983	1	31	-2.0	-102.95	301.08	4.98	-97.97
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200984	1	43	-2.0	-120.93	382.36	8.17	-112.76
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCOCC1	REAL300013200985	1	42	-2.0	-122.06	364.64	6.50	-115.56
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200986	1	41	-2.0	-119.12	378.01	8.13	-110.99
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200987	1	34	-2.0	-103.51	325.81	5.79	-97.72
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200988	1	43	-2.0	-123.73	364.51	8.03	-115.70
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200989	1	44	-2.0	-126.75	382.76	7.33	-119.42
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200990	1	41	-2.0	-120.38	374.48	8.38	-112.00
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200991	1	41	-2.0	-116.97	377.13	5.93	-111.04
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200992	1	37	-2.0	-113.45	355.81	7.16	-106.29
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200993	1	37	-2.0	-113.73	350.29	6.95	-106.78
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCOCC1	REAL300013200994	1	45	-2.0	-116.87	388.52	8.82	-108.05
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCCCC1	REAL300013200995	1	47	-2.0	-118.29	397.48	11.20	-107.09
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)(C(=O)[O-])CC1	REAL300013200996	1	47	-2.0	-127.82	387.01	9.36	-118.46
CC(CCF)(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013200997	1	40	-2.0	-116.06	354.43	7.28	-108.78
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200998	1	37	-2.0	-110.64	335.91	8.17	-102.47
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013200999	1	39	-2.0	-132.12	350.65	9.41	-122.71
COC1CN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C(C)(C(=O)[O-])C1	REAL300013201000	1	45	-2.0	-126.48	394.62	8.34	-118.14
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201001	1	43	-2.0	-121.32	372.88	7.94	-113.38
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201002	1	38	-2.0	-116.51	372.17	7.93	-108.58
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201003	1	41	-2.0	-118.74	374.45	8.27	-110.47
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201004	1	42	-2.0	-131.71	364.20	10.15	-121.56
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201005	1	39	-2.0	-126.78	356.34	5.16	-121.62
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201006	1	38	-2.0	-117.19	357.26	8.99	-108.20
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201007	1	38	-2.0	-122.21	350.77	8.92	-113.29
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013201008	1	39	-2.0	-128.80	357.52	9.27	-119.53
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201009	1	43	-2.0	-120.93	382.36	8.17	-112.76
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCOCC1	REAL300013201010	1	45	-2.0	-123.32	388.19	6.61	-116.71
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1=CC=CC=C1	REAL300013201011	1	41	-2.0	-127.27	379.23	8.93	-118.34
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201012	1	41	-2.0	-120.38	374.48	8.38	-112.00
CC(C)CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201013	1	49	-2.0	-119.88	425.77	9.65	-110.23
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201014	1	45	-2.0	-126.93	399.89	7.19	-119.74
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201015	1	38	-2.0	-123.72	351.86	3.71	-120.01
CSCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201016	1	38	-2.0	-119.09	367.16	7.23	-111.86
COC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201017	1	38	-2.0	-121.68	355.56	5.04	-116.64
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201018	1	37	-2.0	-119.00	343.70	6.81	-112.19
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201019	1	46	-2.0	-120.52	400.39	8.83	-111.69
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201020	1	44	-2.0	-119.29	399.51	8.91	-110.38
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201021	1	39	-2.0	-126.46	356.38	10.27	-116.19
CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013201022	1	44	-2.0	-129.04	387.96	9.64	-119.40
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201023	1	38	-2.0	-128.51	346.39	8.46	-120.05
CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201024	1	40	-2.0	-119.29	365.20	7.57	-111.72
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201025	1	40	-2.0	-120.20	355.82	7.14	-113.06
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201026	1	42	-2.0	-134.77	367.01	10.49	-124.28
CCN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(C)(C)C(=O)[O-]	REAL300013201027	1	43	-2.0	-124.14	369.48	9.84	-114.30
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(C)C(=O)[O-]	REAL300013201028	1	43	-2.0	-111.10	374.47	9.68	-101.42
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201029	1	40	-2.0	-119.30	365.20	7.57	-111.73
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201030	1	42	-2.0	-127.70	367.76	9.90	-117.80
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1=CC=CC=C1	REAL300013201031	1	41	-2.0	-127.29	379.88	8.88	-118.41
CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(C)(C)C(=O)[O-]	REAL300013201032	1	40	-2.0	-123.00	350.98	8.97	-114.03
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201033	1	38	-2.0	-128.28	345.13	8.55	-119.73
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201036	1	46	-2.0	-120.52	400.39	8.83	-111.69
C#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201037	1	36	-2.0	-118.51	349.97	7.22	-111.29
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201038	1	37	-2.0	-109.65	336.34	8.06	-101.59
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201039	1	44	-2.0	-120.86	396.20	8.71	-112.15
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201040	1	47	-2.0	-113.97	408.48	9.16	-104.81
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201041	1	46	-2.0	-111.61	395.16	10.60	-101.01
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1=CC=CC=N1	REAL300013201042	1	40	-2.0	-130.17	376.00	7.38	-122.79
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201043	1	47	-2.0	-129.92	398.85	11.29	-118.63
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1=CC=CN=C1	REAL300013201045	1	40	-2.0	-123.14	374.53	7.17	-115.97
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201046	1	45	-2.0	-127.68	389.86	9.60	-118.08
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201047	1	41	-2.0	-119.12	378.01	8.13	-110.99
CC#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201048	1	39	-2.0	-120.29	371.56	8.24	-112.05
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1=O	REAL300013201049	1	42	-2.0	-122.27	372.80	8.19	-114.08
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201050	1	41	-2.0	-126.77	361.39	9.37	-117.40
CC(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201051	1	40	-2.0	-119.85	358.82	7.42	-112.43
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1=CC=CC=C1	REAL300013201052	1	41	-2.0	-127.37	379.22	8.91	-118.46
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201053	1	37	-2.0	-110.64	335.91	8.17	-102.47
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201054	1	40	-2.0	-119.58	365.20	7.57	-112.01
CCN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(C)C(=O)[O-]	REAL300013201055	1	40	-2.0	-110.75	353.53	8.95	-101.80
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCCC1	REAL300013201056	1	44	-2.0	-116.74	380.08	10.49	-106.25
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201057	1	43	-2.0	-121.33	373.28	7.77	-113.56
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201058	1	40	-2.0	-111.35	356.20	9.25	-102.10
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC(CO)C1	REAL300013201059	1	42	-2.0	-128.68	377.11	4.74	-123.94
CC1CCC(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)(C(=O)[O-])C1	REAL300013201060	1	44	-2.0	-127.35	378.75	8.48	-118.87
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201061	1	47	-2.0	-129.93	387.57	9.11	-120.82
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201062	1	41	-2.0	-116.97	377.13	5.93	-111.04
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)(C(=O)[O-])C1	REAL300013201063	1	44	-2.0	-127.97	381.27	9.18	-118.79
CC1(C(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C(=O)[O-])CC1	REAL300013201064	1	41	-2.0	-122.83	365.16	8.15	-114.68
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201065	1	39	-2.0	-134.89	356.34	5.33	-129.56
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCOC1	REAL300013201066	1	42	-2.0	-116.64	373.79	5.84	-110.80
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201067	1	42	-2.0	-131.46	366.68	9.97	-121.49
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(CC3=CC=C(F)C=C3)S1)C2	REAL300013201068	1	40	-2.0	-127.27	358.15	7.61	-119.66
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013201069	1	44	-2.0	-134.57	377.15	10.80	-123.77
CN(C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1(C(=O)[O-])CC1	REAL300013201070	1	38	-2.0	-123.38	351.33	8.68	-114.70
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCC1	REAL300013201071	1	41	-2.0	-121.41	368.57	7.86	-113.55
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCCCC1	REAL300013201072	1	47	-2.0	-124.30	397.44	9.02	-115.28
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCC1	REAL300013201073	1	41	-2.0	-121.41	368.57	7.86	-113.55
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1C(=O)[O-]	REAL300013201074	1	41	-2.0	-128.65	358.05	9.37	-119.28
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201075	1	38	-2.0	-118.64	356.98	7.27	-111.37
COC1CC(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)(C(=O)[O-])C1	REAL300013201076	1	42	-2.0	-123.04	376.41	6.34	-116.70
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC(F)(F)C1	REAL300013201077	1	38	-2.0	-119.54	353.25	7.50	-112.04
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)(C(=O)[O-])C1	REAL300013201078	1	42	-2.0	-122.43	376.57	6.33	-116.10
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201079	1	44	-2.0	-129.05	374.79	10.62	-118.43
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201080	1	37	-2.0	-113.00	359.39	7.58	-105.42
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201081	1	45	-2.0	-120.07	397.27	6.89	-113.18
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)COC1	REAL300013201082	1	36	-2.0	-117.53	335.65	4.50	-113.03
CC(C)C(C)(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201083	1	43	-2.0	-122.86	364.58	7.83	-115.03
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201084	1	39	-2.0	-132.94	351.61	10.00	-122.94
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201085	1	42	-2.0	-131.67	367.41	9.44	-122.23
C=CCSCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201086	1	42	-2.0	-120.02	401.68	8.61	-111.41
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201087	1	43	-2.0	-111.49	370.53	9.92	-101.57
COC1(C(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C(=O)[O-])CCC1	REAL300013201088	1	45	-2.0	-120.91	390.64	6.44	-114.47
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC(C(F)F)C1	REAL300013201089	1	41	-2.0	-122.00	374.94	8.19	-113.81
O=C([O-])C1CC(NC(=O)NC2=NC=C(CC3=CC=C(F)C=C3)S2)(C(=O)[O-])C1	REAL300013201090	0	41	-2.0	-128.96	376.96	9.27	-119.69
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)(C(=O)[O-])C1	REAL300013201090	1	40	-3.0	-200.52	372.34	7.95	-192.57
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201091	1	38	-2.0	-122.21	350.77	8.92	-113.29
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201092	1	40	-2.0	-123.42	360.14	9.66	-113.76
CC1(C)CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1C(=O)[O-]	REAL300013201093	1	44	-2.0	-131.03	378.27	9.61	-121.42
CC(C)CCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201094	1	46	-2.0	-119.91	404.27	8.87	-111.04
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201095	1	45	-2.0	-127.48	392.47	10.33	-117.15
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201096	1	45	-2.0	-120.07	397.27	6.89	-113.18
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013201097	1	42	-2.0	-124.09	387.59	10.00	-114.09
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201098	1	38	-2.0	-115.14	349.62	3.46	-111.68
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201099	1	35	-2.0	-122.53	332.82	2.64	-119.89
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCCC2CC21	REAL300013201100	1	45	-2.0	-129.97	379.05	9.62	-120.35
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCC2CC21	REAL300013201101	1	42	-2.0	-127.26	367.33	8.48	-118.78
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC2(CCC2)C1	REAL300013201102	1	45	-2.0	-128.01	387.45	9.08	-118.93
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCCC1	REAL300013201103	1	44	-2.0	-122.78	379.86	8.39	-114.39
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201104	1	41	-2.0	-122.30	373.22	6.06	-116.24
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201105	1	41	-2.0	-126.40	357.85	8.00	-118.40
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201106	1	44	-2.0	-119.30	402.72	11.93	-107.37
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013201107	1	44	-2.0	-125.59	384.55	9.67	-115.92
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201108	1	41	-2.0	-124.90	367.63	10.42	-114.48
O=C([O-])C1N(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCC1(F)F	REAL300013201109	1	38	-2.0	-124.91	355.98	8.96	-115.95
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201110	1	41	-2.0	-116.44	373.49	9.49	-106.95
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201111	1	45	-2.0	-132.73	382.60	10.22	-122.51
COCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201112	1	44	-2.0	-119.98	398.63	6.71	-113.27
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201113	1	43	-2.0	-111.50	378.29	9.91	-101.59
CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201114	1	41	-2.0	-122.08	377.42	6.03	-116.05
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201115	1	46	-2.0	-120.76	394.28	9.28	-111.48
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CCCCO1	REAL300013201116	1	45	-2.0	-125.85	394.19	6.95	-118.90
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)[C@@H]1C(=O)[O-]	REAL300013201117	1	42	-2.0	-129.78	367.39	8.41	-121.37
N#CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201118	1	38	-2.0	-112.76	364.56	7.31	-105.45
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201119	1	41	-2.0	-116.43	384.40	10.07	-106.36
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013201120	1	37	-2.0	-109.68	336.34	8.06	-101.62
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013201121	1	45	-2.0	-130.01	399.43	8.77	-121.24
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])=N2	REAL300013201122	1	53	-2.0	-126.86	417.39	9.24	-117.62
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)=N2	REAL300013201123	1	50	-2.0	-123.29	408.53	11.74	-111.55
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1)=N2	REAL300013201124	1	47	-2.0	-132.01	394.88	8.73	-123.28
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2	REAL300013201125	1	40	-2.0	-117.01	352.39	6.71	-110.30
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCSCC1)=N2	REAL300013201126	1	45	-2.0	-124.32	364.51	7.83	-116.49
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(COC)C(=O)[O-])=N2	REAL300013201127	1	44	-2.0	-128.93	359.68	5.59	-123.34
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1	REAL300013201128	1	47	-2.0	-116.75	381.98	7.72	-109.03
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N2	REAL300013201129	1	46	-2.0	-120.13	373.26	9.15	-110.98
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013201130	1	41	-2.0	-122.15	342.60	8.43	-113.72
CCC1CCC2=C(C1)SC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N2	REAL300013201131	1	43	-2.0	-114.82	376.97	9.23	-105.59
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOC1)=N2	REAL300013201132	1	42	-2.0	-125.12	342.95	4.45	-120.67
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)=N2	REAL300013201133	1	50	-2.0	-126.54	393.13	8.40	-118.14
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(O)C=C1)=N2	REAL300013201134	1	45	-2.0	-128.39	384.49	5.19	-123.20
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(COC1CCC1)C(=O)[O-])=N2	REAL300013201135	1	51	-2.0	-118.60	408.95	8.97	-109.63
CCC1CCC2=C(C1)SC([N-]C(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)=N2	REAL300013201136	1	51	-2.0	-133.71	412.73	12.33	-121.38
C=CCOCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201137	1	45	-2.0	-126.54	383.91	5.77	-120.77
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)C1C(=O)[O-])=N2	REAL300013201138	1	45	-2.0	-143.52	360.75	6.07	-137.45
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201139	1	44	-2.0	-122.92	368.83	7.13	-115.79
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)=N2	REAL300013201140	1	48	-2.0	-124.25	384.40	5.99	-118.26
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)=N2	REAL300013201141	1	44	-2.0	-120.46	385.54	8.22	-112.24
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(OC)CC1C(=O)[O-])=N2	REAL300013201142	1	48	-2.0	-137.97	382.37	8.40	-129.57
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCOC1)=N2	REAL300013201143	1	48	-2.0	-123.96	381.76	5.80	-118.16
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)CC1C(=O)[O-])=N2	REAL300013201144	1	47	-2.0	-139.89	363.97	9.83	-130.06
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1)=N2	REAL300013201145	1	47	-2.0	-124.30	400.18	8.74	-115.56
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1)=N2	REAL300013201146	1	50	-2.0	-133.85	415.65	9.42	-124.43
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1)=N2	REAL300013201147	1	50	-2.0	-133.98	411.86	9.25	-124.73
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N2	REAL300013201148	1	43	-2.0	-124.38	349.99	6.31	-118.07
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013201149	1	44	-2.0	-138.76	349.75	9.43	-129.33
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)=N2	REAL300013201150	1	44	-2.0	-124.27	390.20	8.57	-115.70
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013201151	1	42	-2.0	-130.88	349.99	9.42	-121.46
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013201152	1	47	-2.0	-131.27	366.81	8.15	-123.12
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C(=O)[O-])=N2	REAL300013201153	1	41	-2.0	-131.98	337.90	7.99	-123.99
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013201154	1	44	-2.0	-130.56	352.30	7.05	-123.51
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCCC1)=N2	REAL300013201155	1	50	-2.0	-131.74	372.48	8.81	-122.93
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])=N2	REAL300013201156	1	47	-2.0	-125.32	394.83	9.02	-116.30
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)=N2	REAL300013201157	1	47	-2.0	-123.71	396.32	11.09	-112.62
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013201158	1	44	-2.0	-131.65	373.48	8.04	-123.61
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013201159	1	44	-2.0	-131.70	373.45	8.05	-123.65
CCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201160	1	40	-2.0	-122.86	337.30	5.97	-116.89
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N2	REAL300013201161	1	43	-2.0	-124.38	349.99	6.31	-118.07
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013201162	1	38	-2.0	-126.32	326.41	1.81	-124.51
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013201163	1	38	-2.0	-126.32	326.41	1.81	-124.51
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])=N2	REAL300013201164	1	47	-2.0	-125.32	394.83	9.02	-116.30
CCC(C)C(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201165	1	46	-2.0	-124.50	369.49	7.15	-117.35
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013201166	1	44	-2.0	-138.76	349.75	9.43	-129.33
CCCC(C)(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201167	1	46	-2.0	-126.87	362.93	7.06	-119.81
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N2	REAL300013201168	1	43	-2.0	-121.60	347.56	8.42	-113.18
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013201169	1	41	-2.0	-122.15	342.60	8.43	-113.72
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1	REAL300013201170	1	41	-2.0	-120.69	350.15	8.65	-112.04
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N2	REAL300013201171	1	46	-2.0	-120.13	373.26	9.15	-110.98
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC3=CC=CC=C3CC1C(=O)[O-])=N2	REAL300013201172	1	48	-2.0	-140.80	387.89	11.47	-129.33
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N2	REAL300013201173	1	40	-2.0	-104.01	328.04	5.36	-98.65
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1CC1)=N2	REAL300013201174	1	44	-2.0	-128.79	354.16	7.14	-121.65
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CS1)=N2	REAL300013201175	1	41	-2.0	-128.23	364.46	7.17	-121.06
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013201176	1	47	-2.0	-131.27	366.81	8.15	-123.12
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N2	REAL300013201177	1	43	-2.0	-121.60	347.56	8.42	-113.18
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1	REAL300013201178	1	43	-2.0	-120.54	358.84	8.84	-111.70
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC)CC(=O)[O-])=N2	REAL300013201179	1	40	-2.0	-120.59	337.34	8.09	-112.50
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013201180	1	38	-2.0	-126.40	326.91	1.82	-124.58
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201181	1	46	-2.0	-125.50	367.82	6.99	-118.51
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013201182	1	44	-2.0	-130.56	352.30	7.05	-123.51
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)=N2	REAL300013201183	1	47	-2.0	-117.50	402.75	11.16	-106.34
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(CC)C(=O)[O-])=N2	REAL300013201184	1	43	-2.0	-125.90	341.43	6.31	-119.59
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)=N2	REAL300013201185	1	48	-2.0	-135.06	392.79	9.32	-125.74
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)=N2	REAL300013201186	1	44	-2.0	-130.37	384.32	8.21	-122.16
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013201187	1	47	-2.0	-133.48	381.55	8.81	-124.67
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC)CC(=O)[O-])=N2	REAL300013201188	1	40	-2.0	-120.59	337.34	8.09	-112.50
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201189	1	55	-2.0	-127.53	427.43	9.39	-118.14
CCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013201190	1	42	-2.0	-133.55	349.14	4.61	-128.94
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC1)=N2	REAL300013201191	1	38	-2.0	-130.28	321.64	6.12	-124.16
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)=N2	REAL300013201192	1	44	-2.0	-124.27	390.20	8.57	-115.70
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCOCC1C(=O)[O-])=N2	REAL300013201193	1	42	-2.0	-132.21	341.06	7.01	-125.20
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCCC1)=N2	REAL300013201194	1	50	-2.0	-130.53	378.23	9.87	-120.66
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013201195	1	41	-2.0	-124.74	344.20	6.46	-118.28
CCC1CCC2=C(C1)SC([N-]C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])=N2	REAL300013201196	1	50	-2.0	-123.88	418.74	11.87	-112.01
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013201197	1	47	-2.0	-123.71	383.16	9.99	-113.72
CCC1CCC2=C(C1)SC([N-]C(=O)N(CCOC)CC(=O)[O-])=N2	REAL300013201198	1	44	-2.0	-121.32	368.71	7.26	-114.06
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3=CC=CC=C31)=N2	REAL300013201199	1	48	-2.0	-139.54	388.16	9.10	-130.44
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013201200	1	41	-2.0	-132.40	338.65	7.73	-124.67
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC[C@@H]1C(=O)[O-])=N2	REAL300013201201	1	44	-2.0	-138.80	349.87	9.49	-129.31
CCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013201202	1	42	-2.0	-130.71	349.21	4.61	-126.10
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N2	REAL300013201203	1	40	-2.0	-113.94	329.37	7.28	-106.66
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013201204	1	41	-2.0	-132.37	338.62	7.74	-124.63
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC1)=N2	REAL300013201205	1	41	-2.0	-130.68	338.42	6.63	-124.05
C=CCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201206	1	41	-2.0	-122.52	349.78	6.44	-116.08
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(C)C(=O)[O-])=N2	REAL300013201207	1	44	-2.0	-131.33	355.03	8.55	-122.78
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCCCC1C(=O)[O-])=N2	REAL300013201208	1	47	-2.0	-137.68	364.77	10.19	-127.49
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013201209	1	41	-2.0	-124.74	344.20	6.46	-118.28
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N2	REAL300013201210	1	40	-2.0	-114.00	329.37	7.28	-106.72
CCCCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201211	1	46	-2.0	-123.63	380.30	7.52	-116.11
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC(O)=C1)=N2	REAL300013201212	1	45	-2.0	-131.54	384.45	5.19	-126.35
CCC1CCC2=C(C1)SC([N-]C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])=N2	REAL300013201213	1	50	-2.0	-123.88	418.74	11.87	-112.01
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@]1(C)C(=O)[O-])=N2	REAL300013201214	1	44	-2.0	-131.26	355.05	8.54	-122.72
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCCC1)=N2	REAL300013201215	1	50	-2.0	-130.53	378.23	9.87	-120.66
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013201216	1	47	-2.0	-121.08	373.69	9.66	-111.42
CCC1CCC2=C(C1)SC([N-]C(=O)NC(COC)C(=O)[O-])=N2	REAL300013201217	1	41	-2.0	-125.45	349.15	4.21	-121.24
CCCCCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201218	1	49	-2.0	-123.53	400.96	8.32	-115.21
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2	REAL300013201219	1	46	-2.0	-125.27	366.48	7.11	-118.16
CCC1CCC(NC(=O)[N-]C2=NC3=C(CC(CC)CC3)S2)(C(=O)[O-])CC1	REAL300013201220	1	53	-2.0	-131.73	405.88	9.39	-122.34
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)=N2	REAL300013201221	1	48	-2.0	-121.26	382.13	7.99	-113.27
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCC1)=N2	REAL300013201222	1	47	-2.0	-132.28	364.88	8.92	-123.36
CCC1CCC2=C(C1)SC([N-]C(=O)N(C(C)C(=O)[O-])C1CC1)=N2	REAL300013201223	1	44	-2.0	-113.52	355.08	9.78	-103.74
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C1CC1	REAL300013201224	1	47	-2.0	-118.04	371.89	9.82	-108.22
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)=N2	REAL300013201225	1	44	-2.0	-131.82	385.43	8.48	-123.34
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1F)=N2	REAL300013201226	1	44	-2.0	-135.82	377.63	8.21	-127.61
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC3=CC=CC=C3C1C(=O)[O-])=N2	REAL300013201227	1	48	-2.0	-130.77	390.45	10.87	-119.90
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C)=N2	REAL300013201228	1	50	-2.0	-132.61	402.50	9.09	-123.52
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1	REAL300013201229	1	43	-2.0	-120.54	358.84	8.84	-111.70
CCC1CCC2=C(C1)SC([N-]C(=O)N(C(COC)C(=O)[O-])C1CC1)=N2	REAL300013201230	1	48	-2.0	-115.45	384.70	9.22	-106.23
CCC1CCC2=C(C1)SC([N-]C(=O)N(C(C)C(=O)[O-])C1CCC1)=N2	REAL300013201231	1	47	-2.0	-112.95	371.29	9.17	-103.78
CCCN(C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(COC)C(=O)[O-]	REAL300013201232	1	50	-2.0	-128.19	401.68	9.71	-118.48
CCCN(C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(CC)C(=O)[O-]	REAL300013201233	1	49	-2.0	-124.95	386.99	10.80	-114.15
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N2	REAL300013201234	1	46	-2.0	-124.66	375.17	7.30	-117.36
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOCC1)=N2	REAL300013201235	1	45	-2.0	-126.54	358.24	5.65	-120.89
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201236	1	44	-2.0	-123.33	370.77	7.32	-116.01
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CF)C(=O)[O-])=N2	REAL300013201237	1	37	-2.0	-106.80	318.92	5.00	-101.80
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC)(CC)C(=O)[O-])=N2	REAL300013201238	1	46	-2.0	-127.89	357.82	7.20	-120.69
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1)=N2	REAL300013201239	1	48	-2.0	-128.82	402.73	7.42	-121.40
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC)(COC)C(=O)[O-])=N2	REAL300013201240	1	47	-2.0	-130.94	376.35	6.50	-124.44
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013201241	1	44	-2.0	-124.28	368.07	7.55	-116.73
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CCOC)C(=O)[O-])=N2	REAL300013201242	1	44	-2.0	-121.12	370.97	5.04	-116.08
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N2	REAL300013201243	1	40	-2.0	-117.46	349.64	6.26	-111.20
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013201244	1	50	-2.0	-134.91	398.28	9.69	-125.22
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCC(OC)C1)=N2	REAL300013201245	1	54	-2.0	-129.70	428.40	7.43	-122.27
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N2	REAL300013201246	1	40	-2.0	-117.66	343.89	6.11	-111.55
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1(OC)CCC1)C(=O)[O-])=N2	REAL300013201247	1	51	-2.0	-128.79	407.27	7.32	-121.47
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)=N2	REAL300013201248	1	48	-2.0	-121.26	382.13	7.99	-113.27
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCCC1)=N2	REAL300013201249	1	50	-2.0	-122.74	391.09	10.37	-112.37
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)=N2	REAL300013201250	1	50	-2.0	-132.10	380.62	8.53	-123.57
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1)=N2	REAL300013201251	1	48	-2.0	-133.27	402.35	7.39	-125.88
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N2	REAL300013201252	1	43	-2.0	-120.37	348.02	6.44	-113.93
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC3=C(C=CO3)C1C(=O)[O-])=N2	REAL300013201253	1	45	-2.0	-126.88	373.04	8.99	-117.89
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1)=N2	REAL300013201254	1	48	-2.0	-133.50	402.95	7.33	-126.17
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N2	REAL300013201255	1	40	-2.0	-113.45	330.44	7.33	-106.12
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC(C(=O)OC)CCC1C(=O)[O-])=N2	REAL300013201256	1	50	-2.0	-133.69	404.60	10.00	-123.69
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)=N2	REAL300013201257	1	53	-2.0	-133.39	394.73	9.02	-124.37
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])C3)=N2	REAL300013201258	1	42	-2.0	-136.57	344.26	8.57	-128.00
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC(OC)CC1(C)C(=O)[O-])=N2	REAL300013201259	1	48	-2.0	-130.62	388.22	7.51	-123.11
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCOC1)C(=O)[O-])=N2	REAL300013201260	1	51	-2.0	-127.01	408.70	6.81	-120.20
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2	REAL300013201261	1	46	-2.0	-125.27	366.48	7.11	-118.16
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201262	1	41	-2.0	-120.40	365.73	7.06	-113.34
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201263	1	44	-2.0	-122.82	370.31	7.20	-115.62
CCC1CCC2=C(C1)SC([N-]C(=O)N1C3CCC1(C(=O)[O-])CC3)=N2	REAL300013201264	1	45	-2.0	-136.30	357.79	9.32	-126.98
CCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])=N2	REAL300013201265	1	42	-2.0	-130.80	349.91	4.33	-126.47
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])=N2	REAL300013201266	1	41	-2.0	-121.11	350.86	8.15	-112.96
CCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013201267	1	41	-2.0	-126.14	344.38	8.09	-118.05
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(CC)CC3)S2)C1	REAL300013201268	1	42	-2.0	-133.06	351.14	8.44	-124.62
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOCC1)C(=O)[O-])=N2	REAL300013201269	1	51	-2.0	-123.11	404.55	7.47	-115.64
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N2	REAL300013201270	1	46	-2.0	-124.66	375.17	7.30	-117.36
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)=N2	REAL300013201271	1	48	-2.0	-124.25	384.40	5.99	-118.26
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013201272	1	44	-2.0	-131.70	373.45	8.05	-123.65
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013201273	1	44	-2.0	-124.28	368.07	7.55	-116.73
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CN=CS1)C(=O)[O-])=N2	REAL300013201274	1	43	-2.0	-122.84	382.28	6.14	-116.70
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])=N2	REAL300013201275	1	52	-2.0	-123.99	418.53	8.84	-115.15
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCO1)C(=O)[O-])=N2	REAL300013201276	1	48	-2.0	-131.07	393.25	6.42	-124.65
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N2	REAL300013201277	1	41	-2.0	-122.46	343.57	3.08	-119.38
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CSC)C(=O)[O-])=N2	REAL300013201278	1	41	-2.0	-123.25	360.09	6.43	-116.82
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](COC)C(=O)[O-])=N2	REAL300013201279	1	41	-2.0	-125.55	348.67	4.21	-121.34
CC[C@H](NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201280	1	40	-2.0	-122.77	337.06	6.04	-116.73
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])=N2	REAL300013201281	1	47	-2.0	-120.94	402.14	9.06	-111.88
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201282	1	49	-2.0	-126.02	394.23	7.96	-118.06
C=CCCCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201283	1	47	-2.0	-123.29	392.27	8.10	-115.19
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])=N2	REAL300013201284	1	47	-2.0	-120.77	401.25	9.09	-111.68
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013201285	1	42	-2.0	-130.88	349.99	9.42	-121.46
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013201286	1	47	-2.0	-133.48	381.55	8.81	-124.67
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013201287	1	41	-2.0	-132.40	338.65	7.73	-124.67
CCCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201288	1	43	-2.0	-123.43	358.80	6.74	-116.69
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N2	REAL300013201289	1	43	-2.0	-124.42	349.43	6.31	-118.11
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])=N2	REAL300013201290	1	45	-2.0	-139.18	360.69	9.70	-129.48
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC)C(C)(C)C(=O)[O-])=N2	REAL300013201291	1	46	-2.0	-128.68	363.07	9.00	-119.68
CCCN(C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(C)C(=O)[O-]	REAL300013201292	1	46	-2.0	-123.59	371.58	9.90	-113.69
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201293	1	43	-2.0	-123.28	358.56	6.80	-116.48
CCC1CCC2=C(C1)SC([N-]C(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])=N2	REAL300013201294	1	45	-2.0	-132.95	362.64	8.93	-124.02
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013201295	1	44	-2.0	-131.65	373.48	8.04	-123.61
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N2	REAL300013201296	1	43	-2.0	-127.51	344.58	8.13	-119.38
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013201297	1	41	-2.0	-132.37	338.62	7.74	-124.63
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201300	1	49	-2.0	-126.02	394.23	7.96	-118.06
C#CCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201301	1	39	-2.0	-122.70	343.57	6.38	-116.32
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])=N2	REAL300013201302	1	50	-2.0	-124.22	408.58	12.21	-112.01
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N2	REAL300013201303	1	40	-2.0	-114.00	329.37	7.28	-106.72
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])=N2	REAL300013201304	1	47	-2.0	-124.51	389.14	7.90	-116.61
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])=N2	REAL300013201305	1	46	-2.0	-122.15	390.61	7.28	-114.87
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])=N2	REAL300013201306	1	50	-2.0	-117.57	402.25	8.46	-109.11
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N2	REAL300013201307	1	49	-2.0	-117.95	388.64	9.70	-108.25
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=N1)=N2	REAL300013201308	1	43	-2.0	-134.74	369.84	6.48	-128.26
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1	REAL300013201309	1	50	-2.0	-134.27	392.44	10.45	-123.82
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])=N2	REAL300013201310	1	50	-2.0	-120.03	401.18	11.06	-108.97
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])=N2	REAL300013201313	1	46	-2.0	-122.15	390.61	7.28	-114.87
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CN=C1)=N2	REAL300013201314	1	43	-2.0	-127.64	368.36	6.27	-121.37
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(COC)C(=O)[O-])=N2	REAL300013201315	1	48	-2.0	-132.16	384.31	8.80	-123.36
CCC1CCC2=C(C1)SC([N-]C(=O)N1C3=CC=CC(C)=C3CC1C(=O)[O-])=N2	REAL300013201316	0	48	-2.0	-135.72	391.83	11.99	-123.73
CCC1CCC2=C(C1)SC([N-]C(=O)N1C3=CC=CC=C3C[C@H](C)[C@@H]1C(=O)[O-])=N2	REAL300013201317	0	51	-2.0	-125.55	402.59	11.45	-114.10
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])=N2	REAL300013201318	1	49	-2.0	-123.01	413.59	8.00	-115.01
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201319	1	44	-2.0	-123.33	370.77	7.32	-116.01
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=NC=CS1)C(=O)[O-])=N2	REAL300013201320	1	43	-2.0	-124.60	382.01	6.05	-118.55
CC#CCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201321	1	42	-2.0	-124.50	364.56	7.36	-117.14
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC(=O)N(C)CC1C(=O)[O-])=N2	REAL300013201322	1	45	-2.0	-126.82	366.50	7.44	-119.38
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@]1(C)C(=O)[O-])=N2	REAL300013201323	1	44	-2.0	-131.30	355.01	8.54	-122.76
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N2	REAL300013201324	1	43	-2.0	-124.34	349.97	6.31	-118.03
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013201325	1	44	-2.0	-131.78	373.44	8.04	-123.74
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])=N2	REAL300013201326	1	47	-2.0	-129.17	382.91	7.35	-121.82
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N2	REAL300013201327	1	40	-2.0	-113.45	330.44	7.33	-106.12
CCC[C@H](NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201328	1	43	-2.0	-123.29	357.97	6.77	-116.52
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC)C(C)C(=O)[O-])=N2	REAL300013201329	1	43	-2.0	-115.98	348.91	8.17	-107.81
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013201330	1	47	-2.0	-121.08	373.69	9.66	-111.42
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201331	1	46	-2.0	-125.50	367.82	6.99	-118.51
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1	REAL300013201332	1	43	-2.0	-114.23	350.38	8.31	-105.92
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(CO)C1)=N2	REAL300013201333	1	45	-2.0	-133.31	370.70	3.91	-129.40
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N2	REAL300013201334	1	53	-2.0	-130.24	421.30	7.25	-122.99
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC(C)C1)=N2	REAL300013201335	1	47	-2.0	-131.39	372.48	7.69	-123.70
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1(C)C)=N2	REAL300013201336	1	50	-2.0	-134.65	381.27	8.30	-126.35
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CCOC)C(=O)[O-])=N2	REAL300013201337	1	44	-2.0	-121.12	370.97	5.04	-116.08
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C)(C)C1)=N2	REAL300013201338	1	47	-2.0	-132.61	374.86	8.33	-124.28
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1(C)CC1)=N2	REAL300013201339	1	44	-2.0	-127.20	358.76	7.32	-119.88
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N2	REAL300013201340	1	53	-2.0	-129.83	421.15	7.27	-122.56
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])=N2	REAL300013201341	1	42	-2.0	-139.43	349.95	4.50	-134.93
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOC1)=N2	REAL300013201342	1	45	-2.0	-121.79	364.53	4.91	-116.88
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])=N2	REAL300013201343	1	45	-2.0	-136.00	360.05	9.11	-126.89
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CNC3=CC=CC=C13)=N2	REAL300013201344	1	48	-2.0	-138.45	405.58	8.11	-130.34
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])CO3)=N2	REAL300013201345	1	43	-2.0	-131.22	351.23	6.84	-124.38
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC(C)CCC1C(=O)[O-])=N2	REAL300013201346	1	47	-2.0	-139.37	370.73	9.97	-129.40
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)=N2	REAL300013201347	1	50	-2.0	-127.23	412.45	9.41	-117.82
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CC1)=N2	REAL300013201348	1	41	-2.0	-127.36	344.93	7.85	-119.51
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])=N2	REAL300013201349	1	51	-2.0	-126.76	409.99	9.13	-117.63
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013201350	1	44	-2.0	-126.41	357.95	6.88	-119.53
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)=N2	REAL300013201351	1	50	-2.0	-126.54	393.13	8.40	-118.14
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013201352	1	44	-2.0	-126.41	357.95	6.88	-119.53
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)C1C(=O)[O-])=N2	REAL300013201353	1	44	-2.0	-135.03	360.60	8.20	-126.83
C=CCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201354	1	41	-2.0	-122.52	349.78	6.44	-116.08
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCCO1)C(=O)[O-])=N2	REAL300013201355	1	51	-2.0	-128.12	409.54	7.71	-120.41
CCC1CCC2=C(C1)SC([N-]C(=O)N1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)=N2	REAL300013201356	1	51	-2.0	-135.12	395.22	10.17	-124.95
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)=N2	REAL300013201357	1	51	-2.0	-127.73	387.36	6.94	-120.79
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC3=C(C)C=CC=C3C1C(=O)[O-])=N2	REAL300013201358	1	51	-2.0	-131.68	408.01	11.35	-120.33
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])=N2	REAL300013201359	1	51	-2.0	-126.76	409.99	9.13	-117.63
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])=N2	REAL300013201360	1	47	-2.0	-123.08	402.14	9.07	-114.01
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(OC)C1)=N2	REAL300013201361	1	45	-2.0	-127.25	370.02	5.51	-121.74
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(F)(F)C1)=N2	REAL300013201362	1	41	-2.0	-123.82	346.85	6.67	-117.15
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)=N2	REAL300013201363	1	45	-2.0	-133.31	370.37	5.90	-127.41
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)=N2	REAL300013201364	1	44	-2.0	-122.00	375.20	7.74	-114.26
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(CC)C(=O)[O-])=N2	REAL300013201365	1	47	-2.0	-133.28	368.62	9.47	-123.81
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2	REAL300013201366	1	40	-2.0	-117.01	352.39	6.71	-110.30
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])=N2	REAL300013201367	1	48	-2.0	-124.21	390.87	6.06	-118.15
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])COC1)=N2	REAL300013201368	1	39	-2.0	-121.89	329.24	3.67	-118.22
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CS1)C(=O)[O-])=N2	REAL300013201369	1	44	-2.0	-123.48	387.68	8.05	-115.43
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N2	REAL300013201370	1	46	-2.0	-127.43	358.17	6.99	-120.44
CCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013201371	1	42	-2.0	-137.54	345.20	9.18	-128.36
CCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013201372	1	45	-2.0	-136.38	361.06	8.77	-127.61
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])=N2	REAL300013201373	1	50	-2.0	-120.03	401.18	11.06	-108.97
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])=N2	REAL300013201374	1	53	-2.0	-126.86	417.39	9.24	-117.62
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])=N2	REAL300013201375	1	50	-2.0	-125.76	418.71	9.76	-116.00
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])=N2	REAL300013201376	1	50	-2.0	-125.69	418.70	9.76	-115.93
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC3CCC1C3)=N2	REAL300013201377	1	51	-2.0	-129.53	399.08	8.83	-120.70
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])=N2	REAL300013201378	1	53	-2.0	-127.00	417.65	9.19	-117.81
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])=N2	REAL300013201379	1	53	-2.0	-126.89	416.78	9.19	-117.70
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC3(CCCC3)CC1C(=O)[O-])=N2	REAL300013201380	1	51	-2.0	-132.10	400.21	10.00	-122.10
CCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@H]3CCCC[C@H]3[C@@H]1C(=O)[O-])=N2	REAL300013201381	1	51	-2.0	-137.21	396.75	9.72	-127.49
C=CCSCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201382	1	45	-2.0	-124.06	395.04	7.84	-116.22
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])=N2	REAL300013201383	1	48	-2.0	-119.75	416.28	9.45	-110.30
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1	REAL300013201384	1	46	-2.0	-126.40	366.15	9.63	-116.77
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1(OC)CCC1)=N2	REAL300013201385	1	48	-2.0	-124.96	384.90	5.64	-119.32
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3=CC=CC=C3C1)=N2	REAL300013201386	1	51	-2.0	-135.47	404.77	10.06	-125.41
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C(F)F)C1)=N2	REAL300013201387	1	44	-2.0	-129.79	370.27	7.47	-122.32
CCC1CCC2=C(C1)SC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300013201388	0	44	-2.0	-129.41	370.56	8.43	-120.98
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300013201388	1	43	-3.0	-209.47	367.30	7.22	-202.25
CCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013201389	1	41	-2.0	-126.14	344.38	8.09	-118.05
CCC1CCC2=C(C1)SC([N-]C(=O)N1C3C=CC(C3)C1C(=O)[O-])=N2	REAL300013201390	1	43	-2.0	-131.06	354.39	8.83	-122.23
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C)C1C(=O)[O-])=N2	REAL300013201391	1	47	-2.0	-135.73	371.87	8.77	-126.96
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC3(CCC3)CCC1C(=O)[O-])=N2	REAL300013201392	1	51	-2.0	-142.12	395.44	11.14	-130.98
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC3=CC=CC=C31)=N2	REAL300013201393	1	51	-2.0	-130.82	414.38	10.09	-120.73
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N2	REAL300013201394	1	49	-2.0	-124.16	397.86	8.04	-116.12
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC3(CCC3)CC1C(=O)[O-])=N2	REAL300013201395	1	48	-2.0	-133.16	387.53	9.54	-123.62
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])=N2	REAL300013201396	1	48	-2.0	-124.21	390.87	6.06	-118.15
CCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-])=N2	REAL300013201397	1	45	-2.0	-128.17	380.95	9.16	-119.01
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N2	REAL300013201398	1	41	-2.0	-118.52	341.25	2.51	-116.01
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013201399	1	38	-2.0	-126.40	326.91	1.82	-124.58
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC3CC31)=N2	REAL300013201400	1	48	-2.0	-134.27	372.65	8.78	-125.49
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3CC31)=N2	REAL300013201401	1	45	-2.0	-132.66	359.71	7.90	-124.76
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3(CCC3)C1)=N2	REAL300013201402	1	48	-2.0	-132.71	381.05	8.25	-124.46
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC3(CC1C(=O)[O-])CCCCC3)=N2	REAL300013201403	1	54	-2.0	-133.56	414.40	10.48	-123.08
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCC1)=N2	REAL300013201404	1	47	-2.0	-127.33	373.52	7.50	-119.83
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N2	REAL300013201405	1	44	-2.0	-126.23	367.30	5.22	-121.01
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)=N2	REAL300013201406	1	44	-2.0	-132.24	356.44	7.47	-124.77
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)=N2	REAL300013201407	1	47	-2.0	-123.71	396.32	11.09	-112.62
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC(C)(C)CC1C(=O)[O-])=N2	REAL300013201408	1	47	-2.0	-131.10	378.15	8.84	-122.26
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(F)(F)CC1C(=O)[O-])=N2	REAL300013201409	1	44	-2.0	-129.19	361.30	9.51	-119.68
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(F)(F)C1C(=O)[O-])=N2	REAL300013201410	1	41	-2.0	-128.72	349.58	8.13	-120.59
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])=N2	REAL300013201411	1	47	-2.0	-123.08	402.14	9.07	-114.01
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])=N2	REAL300013201412	1	44	-2.0	-123.05	386.54	7.90	-115.15
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])=N2	REAL300013201413	1	44	-2.0	-124.71	367.48	8.75	-115.96
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3(CC(F)(F)C3)C1)=N2	REAL300013201414	1	48	-2.0	-130.77	400.24	8.69	-122.08
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])=N2	REAL300013201415	1	44	-2.0	-123.05	386.54	7.90	-115.15
CCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013201416	1	48	-2.0	-137.52	376.19	9.38	-128.14
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=C(O)C=C1)=N2	REAL300013201417	1	45	-2.0	-128.45	384.47	5.20	-123.25
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CCCOC)C(=O)[O-])=N2	REAL300013201418	1	47	-2.0	-124.20	391.64	5.83	-118.37
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(CC)CC2)S1	REAL300013201419	1	46	-2.0	-116.03	371.33	9.04	-106.99
CCOCC(NC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013201420	1	44	-2.0	-126.30	371.01	5.20	-121.10
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N2	REAL300013201421	1	49	-2.0	-125.29	388.14	8.38	-116.91
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCO1)=N2	REAL300013201422	1	48	-2.0	-129.60	386.04	6.14	-123.46
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)=N2	REAL300013201423	1	48	-2.0	-135.06	392.79	9.32	-125.74
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])=N2	REAL300013201424	1	45	-2.0	-134.47	361.27	7.69	-126.78
CCC1CCC2=C(C1)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N2	REAL300013201425	1	41	-2.0	-116.50	358.14	6.48	-110.02
CCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CO1)=N2	REAL300013201426	1	44	-2.0	-123.27	378.01	9.23	-114.04
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N2	REAL300013201427	1	40	-2.0	-113.94	329.37	7.28	-106.66
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(CC)CC3)S2)C1	REAL300013201428	1	48	-2.0	-134.38	393.01	7.94	-126.44
COCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201429	1	44	-2.0	-129.68	379.99	6.71	-122.97
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300013201430	1	47	-2.0	-118.50	401.79	8.74	-109.76
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013201431	1	46	-2.0	-124.34	393.82	10.49	-113.85
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013201432	1	41	-2.0	-123.51	366.79	9.71	-113.80
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013201433	1	42	-2.0	-126.00	363.26	5.58	-120.42
C=CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201434	1	45	-2.0	-127.71	404.23	6.90	-120.81
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013201435	1	45	-2.0	-143.50	384.85	7.41	-136.09
C=CC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201436	1	44	-2.0	-123.70	387.63	8.27	-115.43
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC(C)CC2C(=O)[O-])=N1	REAL300013201437	1	47	-2.0	-139.90	388.17	11.11	-128.79
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013201438	1	43	-2.0	-125.01	368.74	7.43	-117.58
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013201439	1	44	-2.0	-138.76	373.93	10.71	-128.05
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013201440	1	42	-2.0	-130.92	370.27	10.56	-120.36
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013201441	1	47	-2.0	-132.00	391.00	9.43	-122.57
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013201442	1	41	-2.0	-132.70	362.10	9.27	-123.43
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013201443	1	44	-2.0	-131.55	372.59	8.18	-123.37
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013201444	1	34	-2.0	-108.31	315.00	5.27	-103.04
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013201445	1	44	-2.0	-132.78	397.71	9.32	-123.46
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013201446	1	44	-2.0	-132.60	393.53	9.26	-123.34
CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201447	1	40	-2.0	-124.04	357.61	7.11	-116.93
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013201448	1	43	-2.0	-125.01	368.74	7.43	-117.58
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013201449	1	37	-2.0	-120.92	335.85	8.23	-112.69
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013201450	1	38	-2.0	-127.62	347.22	2.95	-124.67
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013201451	1	38	-2.0	-127.62	347.22	2.95	-124.67
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013201452	1	37	-2.0	-109.49	335.79	6.10	-103.39
CCC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201453	1	46	-2.0	-127.03	392.59	8.32	-118.71
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013201454	1	37	-2.0	-120.92	335.85	8.23	-112.69
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013201455	1	44	-2.0	-138.76	373.93	10.71	-128.05
CCCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201456	1	46	-2.0	-127.67	383.25	8.18	-119.49
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013201457	1	43	-2.0	-122.93	367.90	9.56	-113.37
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013201458	1	41	-2.0	-123.51	366.79	9.71	-113.80
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300013201459	1	41	-2.0	-123.30	370.47	9.78	-113.52
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013201460	1	46	-2.0	-124.34	393.82	10.49	-113.85
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013201461	1	40	-2.0	-106.29	348.36	6.50	-99.79
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013201462	1	44	-2.0	-129.85	374.48	8.27	-121.58
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013201463	1	47	-2.0	-132.00	391.00	9.43	-122.57
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013201464	1	43	-2.0	-122.93	367.90	9.56	-113.37
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300013201465	1	43	-2.0	-123.20	379.16	9.98	-113.22
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300013201466	1	40	-2.0	-122.02	357.66	9.22	-112.80
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013201467	1	38	-2.0	-127.95	351.14	3.09	-124.86
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201468	1	46	-2.0	-126.61	388.13	8.12	-118.49
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013201469	1	37	-2.0	-109.49	335.79	6.10	-103.39
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013201470	1	44	-2.0	-131.55	372.59	8.18	-123.37
CCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201471	1	43	-2.0	-126.77	361.75	7.43	-119.34
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013201472	1	37	-2.0	-109.50	339.54	6.25	-103.25
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300013201473	1	40	-2.0	-122.02	357.66	9.22	-112.80
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013201474	1	42	-2.0	-134.90	374.17	5.60	-129.30
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013201475	1	37	-2.0	-109.45	339.70	6.24	-103.21
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013201476	1	38	-2.0	-130.79	345.86	7.39	-123.40
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013201477	1	42	-2.0	-132.42	365.37	8.16	-124.26
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013201478	1	41	-2.0	-125.86	364.51	7.60	-118.26
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300013201479	1	44	-2.0	-124.17	389.04	8.39	-115.78
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013201480	1	41	-2.0	-134.04	364.17	8.90	-125.14
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013201481	1	44	-2.0	-138.92	374.06	10.75	-128.17
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013201482	1	42	-2.0	-131.54	369.43	5.74	-125.80
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013201483	1	40	-2.0	-115.70	349.68	8.41	-107.29
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013201484	1	41	-2.0	-133.11	362.81	9.02	-124.09
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013201485	1	41	-2.0	-131.46	358.71	7.77	-123.69
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201486	1	41	-2.0	-123.67	370.10	7.57	-116.10
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013201487	1	44	-2.0	-132.28	375.35	9.68	-122.60
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013201488	1	47	-2.0	-138.11	388.95	11.48	-126.63
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013201489	1	41	-2.0	-125.86	364.51	7.60	-118.26
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013201490	1	40	-2.0	-115.73	349.82	8.47	-107.26
CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201491	1	46	-2.0	-124.64	399.78	8.67	-115.97
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013201492	1	44	-2.0	-132.44	379.32	9.82	-122.62
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013201493	1	47	-2.0	-123.93	394.00	10.79	-113.14
COCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201494	1	41	-2.0	-126.73	368.99	5.34	-121.39
CCCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201495	1	49	-2.0	-124.68	421.28	9.45	-115.23
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013201496	1	46	-2.0	-127.06	388.39	8.22	-118.84
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)=N1	REAL300013201497	1	47	-2.0	-133.07	385.16	10.05	-123.02
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)=N1	REAL300013201498	1	44	-2.0	-115.05	375.36	10.91	-104.14
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C1CC1	REAL300013201499	1	47	-2.0	-119.70	392.43	11.12	-108.58
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300013201500	1	43	-2.0	-123.20	379.16	9.98	-113.22
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)=N1	REAL300013201501	1	47	-2.0	-115.67	391.60	10.30	-105.37
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(CC)C(=O)[O-]	REAL300013201502	1	49	-2.0	-128.00	406.55	11.92	-116.08
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013201503	1	34	-2.0	-108.31	315.00	5.27	-103.04
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013201504	1	46	-2.0	-125.89	396.08	8.47	-117.42
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013201505	1	45	-2.0	-127.71	382.43	6.93	-120.78
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201506	1	44	-2.0	-124.48	391.09	8.45	-116.03
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013201507	1	37	-2.0	-108.82	339.40	6.12	-102.70
CCC(CC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201508	1	46	-2.0	-128.90	378.13	8.33	-120.57
CCC(COC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201509	1	47	-2.0	-131.67	396.67	7.62	-124.05
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013201510	1	44	-2.0	-125.40	388.39	8.68	-116.72
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201511	1	44	-2.0	-122.35	391.29	6.18	-116.17
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013201512	1	40	-2.0	-119.35	368.23	7.64	-111.71
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013201513	1	40	-2.0	-118.99	364.21	7.25	-111.74
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013201514	1	43	-2.0	-121.60	368.35	7.58	-114.02
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013201515	1	40	-2.0	-115.11	350.76	8.46	-106.65
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013201516	1	42	-2.0	-136.97	368.43	9.86	-127.11
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013201517	1	46	-2.0	-127.06	388.39	8.22	-118.84
C=C(Cl)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201518	1	41	-2.0	-121.49	386.05	8.19	-113.30
C=C(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201519	1	44	-2.0	-124.11	391.47	8.31	-115.80
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013201520	1	45	-2.0	-136.56	378.11	10.45	-126.11
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013201521	1	42	-2.0	-132.33	374.10	5.61	-126.72
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013201522	1	41	-2.0	-122.32	375.09	9.41	-112.91
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013201523	1	41	-2.0	-127.04	364.69	9.22	-117.82
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3F)S2)C1	REAL300013201524	1	42	-2.0	-134.07	375.37	9.71	-124.36
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013201525	1	46	-2.0	-125.89	396.08	8.47	-117.42
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013201526	1	44	-2.0	-132.60	393.53	9.26	-123.34
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013201527	1	44	-2.0	-125.40	388.39	8.68	-116.72
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300013201528	1	41	-2.0	-129.17	369.68	4.15	-125.02
CSCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201529	1	41	-2.0	-124.43	380.41	7.56	-116.87
COC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201530	1	41	-2.0	-126.64	369.48	5.35	-121.29
CC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201531	1	40	-2.0	-123.92	357.38	7.17	-116.75
CCC(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201532	1	49	-2.0	-127.05	414.55	9.11	-117.94
C=CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201533	1	47	-2.0	-124.67	413.42	9.22	-115.45
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013201534	1	42	-2.0	-130.92	370.27	10.56	-120.36
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013201535	1	41	-2.0	-134.04	364.17	8.90	-125.14
CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201536	1	43	-2.0	-124.59	379.11	7.88	-116.71
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300013201537	1	43	-2.0	-125.07	372.74	7.72	-117.35
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013201538	1	45	-2.0	-139.10	382.58	10.94	-128.16
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(C)(C)C(=O)[O-]	REAL300013201539	1	46	-2.0	-129.65	383.39	10.14	-119.51
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(C)C(=O)[O-]	REAL300013201540	1	46	-2.0	-126.73	391.90	11.03	-115.70
CCC[C@@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201541	1	43	-2.0	-124.77	379.11	7.88	-116.89
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013201542	1	45	-2.0	-136.37	385.58	10.34	-126.03
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013201543	1	44	-2.0	-132.78	397.71	9.32	-123.46
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300013201544	1	43	-2.0	-128.50	364.90	9.27	-119.23
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013201545	1	41	-2.0	-133.11	362.81	9.02	-124.09
CCC(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201547	1	49	-2.0	-127.05	414.55	9.11	-117.94
C#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201548	1	39	-2.0	-123.84	363.88	7.53	-116.31
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013201549	1	40	-2.0	-115.73	349.82	8.47	-107.26
CC(C)=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201550	1	47	-2.0	-125.62	409.46	9.03	-116.59
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N1	REAL300013201551	1	49	-2.0	-117.79	407.96	10.89	-106.90
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201553	1	44	-2.0	-124.48	391.09	8.45	-116.03
CC#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201554	1	42	-2.0	-125.88	385.71	8.48	-117.40
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013201555	1	44	-2.0	-132.01	379.23	9.81	-122.20
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013201556	1	43	-2.0	-125.62	374.65	7.69	-117.93
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013201557	1	44	-2.0	-133.13	397.66	9.32	-123.81
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013201558	1	40	-2.0	-115.11	350.76	8.46	-106.65
CCC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201559	1	43	-2.0	-124.95	383.03	8.02	-116.93
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(C)C(=O)[O-]	REAL300013201560	1	43	-2.0	-117.55	369.14	9.30	-108.25
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013201561	1	47	-2.0	-123.93	394.00	10.79	-113.14
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201562	1	46	-2.0	-126.61	388.13	8.12	-118.49
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300013201563	1	43	-2.0	-115.86	370.70	9.44	-106.42
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013201564	1	45	-2.0	-136.48	389.27	4.94	-131.54
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)=N1	REAL300013201565	1	47	-2.0	-132.33	392.79	8.82	-123.51
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201566	1	44	-2.0	-122.35	391.29	6.18	-116.17
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013201567	1	47	-2.0	-133.14	399.05	9.62	-123.52
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013201568	1	44	-2.0	-128.49	379.08	8.45	-120.04
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013201569	1	42	-2.0	-140.09	374.25	5.77	-134.32
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013201570	1	45	-2.0	-122.61	390.34	6.25	-116.36
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013201571	1	45	-2.0	-136.53	384.50	10.42	-126.11
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013201572	1	43	-2.0	-131.93	371.54	7.99	-123.94
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CC(C)CCC2C(=O)[O-])=N1	REAL300013201573	1	47	-2.0	-140.07	390.02	11.53	-128.54
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300013201574	1	41	-2.0	-128.18	369.11	9.13	-119.05
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013201575	1	44	-2.0	-127.37	377.74	8.08	-119.29
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013201576	1	44	-2.0	-127.37	377.74	8.08	-119.29
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300013201577	1	44	-2.0	-136.05	384.79	9.48	-126.57
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201578	1	41	-2.0	-123.67	370.10	7.57	-116.10
COC1CC(NC(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3F)S2)(C(=O)[O-])C1	REAL300013201579	1	45	-2.0	-128.04	394.20	6.79	-121.25
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013201580	1	41	-2.0	-124.81	371.04	7.95	-116.86
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3F)S2)(C(=O)[O-])C1	REAL300013201581	1	45	-2.0	-134.30	394.61	7.17	-127.13
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300013201582	1	47	-2.0	-134.41	388.94	10.60	-123.81
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013201583	1	39	-2.0	-122.78	353.43	4.95	-117.83
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300013201584	1	46	-2.0	-128.08	376.68	8.06	-120.02
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013201585	1	42	-2.0	-137.86	365.45	10.30	-127.56
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013201586	1	45	-2.0	-137.68	376.36	9.81	-127.87
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300013201587	1	46	-2.0	-118.61	385.04	10.22	-108.39
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013201588	1	41	-2.0	-127.04	364.69	9.22	-117.82
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013201589	1	43	-2.0	-134.20	374.71	9.97	-124.23
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013201590	1	47	-2.0	-135.52	394.41	10.23	-125.29
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N1	REAL300013201591	1	49	-2.0	-125.16	417.35	9.19	-115.97
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300013201592	1	41	-2.0	-120.14	365.48	3.78	-116.36
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013201593	1	38	-2.0	-127.95	351.14	3.09	-124.86
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013201594	1	45	-2.0	-133.58	380.11	9.01	-124.57
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013201595	1	47	-2.0	-128.44	393.78	8.69	-119.75
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201596	1	44	-2.0	-127.73	391.54	6.49	-121.24
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300013201597	1	44	-2.0	-133.71	384.53	8.92	-124.79
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013201598	1	47	-2.0	-134.18	398.44	9.97	-124.21
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013201599	1	41	-2.0	-129.38	373.76	9.41	-119.97
COCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201600	1	47	-2.0	-125.40	411.95	6.96	-118.44
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1	REAL300013201601	1	46	-2.0	-117.62	391.61	10.32	-107.30
CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013201602	1	44	-2.0	-127.51	391.33	6.33	-121.18
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300013201603	1	49	-2.0	-126.07	407.59	9.54	-116.53
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=N1	REAL300013201604	1	45	-2.0	-134.56	381.51	8.82	-125.74
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013201605	1	41	-2.0	-117.93	378.48	7.61	-110.32
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013201606	1	40	-2.0	-115.70	349.68	8.41	-107.29
COCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201607	1	47	-2.0	-128.26	395.32	7.35	-120.91
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300013201608	1	50	-2.0	-116.35	417.12	9.36	-106.99
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013201609	1	49	-2.0	-119.79	408.90	10.90	-108.89
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013201610	1	44	-2.0	-121.50	378.22	10.18	-111.32
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013201611	1	45	-2.0	-124.44	381.91	6.32	-118.12
C=CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201612	1	48	-2.0	-125.97	419.56	7.51	-118.46
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013201613	1	48	-2.0	-142.33	399.71	7.95	-134.38
C=CC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201614	1	47	-2.0	-124.48	399.17	8.60	-115.88
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC(C)CC2C(=O)[O-])=N1	REAL300013201615	1	50	-2.0	-138.69	399.60	11.58	-127.11
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013201616	1	46	-2.0	-123.91	385.63	8.06	-115.85
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013201617	1	47	-2.0	-137.59	388.71	11.31	-126.28
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013201618	1	45	-2.0	-130.01	385.60	11.18	-118.83
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013201619	1	50	-2.0	-130.49	405.78	10.02	-120.47
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013201620	1	44	-2.0	-131.23	373.53	9.74	-121.49
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013201621	1	47	-2.0	-129.84	391.27	8.92	-120.92
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013201622	1	37	-2.0	-106.08	330.32	5.89	-100.19
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013201623	1	47	-2.0	-131.03	409.09	9.79	-121.24
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013201624	1	47	-2.0	-131.06	412.17	10.00	-121.06
CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201625	1	43	-2.0	-122.23	372.11	7.75	-114.48
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013201626	1	46	-2.0	-123.91	385.63	8.06	-115.85
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013201627	1	40	-2.0	-118.90	351.17	8.85	-110.05
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013201628	1	41	-2.0	-125.95	362.06	3.56	-122.39
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013201629	1	41	-2.0	-125.95	362.06	3.56	-122.39
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013201630	1	40	-2.0	-107.13	350.94	6.73	-100.40
CCC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201631	1	49	-2.0	-125.38	407.92	8.93	-116.45
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013201632	1	40	-2.0	-118.90	351.17	8.85	-110.05
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013201633	1	47	-2.0	-137.59	388.71	11.31	-126.28
CCCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201634	1	49	-2.0	-126.17	398.57	8.82	-117.35
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013201635	1	46	-2.0	-120.92	383.21	10.17	-110.75
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013201636	1	44	-2.0	-121.50	378.22	10.18	-111.32
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300013201637	1	44	-2.0	-120.31	385.80	10.40	-109.91
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013201638	1	49	-2.0	-119.79	408.90	10.90	-108.89
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013201639	1	43	-2.0	-103.89	363.69	7.11	-96.78
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013201640	1	47	-2.0	-128.00	389.78	8.89	-119.11
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013201641	1	50	-2.0	-130.49	405.78	10.02	-120.47
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013201642	1	46	-2.0	-120.92	383.21	10.17	-110.75
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300013201643	1	46	-2.0	-120.15	394.48	10.59	-109.56
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300013201644	1	43	-2.0	-119.97	372.98	9.84	-110.13
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013201645	1	41	-2.0	-125.90	362.03	3.56	-122.34
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201646	1	49	-2.0	-125.19	407.50	8.82	-116.37
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013201647	1	40	-2.0	-107.13	350.94	6.73	-100.40
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013201648	1	47	-2.0	-129.84	391.27	8.92	-120.92
CCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201649	1	46	-2.0	-125.21	377.07	8.07	-117.14
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013201650	1	40	-2.0	-107.22	351.08	6.71	-100.51
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300013201651	1	43	-2.0	-119.97	372.98	9.84	-110.13
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013201652	1	45	-2.0	-133.24	388.84	6.22	-127.02
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013201653	1	40	-2.0	-107.34	351.40	6.67	-100.67
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013201654	1	41	-2.0	-129.45	357.23	7.87	-121.58
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013201655	1	45	-2.0	-131.18	380.03	8.89	-122.29
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013201656	1	44	-2.0	-124.85	382.65	8.28	-116.57
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300013201657	1	47	-2.0	-121.03	404.36	9.01	-112.02
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013201658	1	44	-2.0	-131.60	377.63	9.60	-122.00
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013201659	1	47	-2.0	-137.69	385.48	11.22	-126.47
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013201660	1	45	-2.0	-130.55	388.94	6.20	-124.35
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013201661	1	43	-2.0	-113.70	368.34	9.15	-104.55
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013201662	1	44	-2.0	-131.71	374.26	9.48	-122.23
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013201663	1	44	-2.0	-129.90	377.42	8.51	-121.39
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201664	1	44	-2.0	-122.14	385.42	8.19	-113.95
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013201665	1	47	-2.0	-130.62	393.99	10.42	-120.20
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013201666	1	50	-2.0	-136.45	400.38	11.95	-124.50
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013201667	1	44	-2.0	-124.85	382.65	8.28	-116.57
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013201668	1	43	-2.0	-113.76	365.15	9.09	-104.67
CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201669	1	49	-2.0	-122.96	415.10	9.30	-113.66
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013201670	1	47	-2.0	-130.60	390.67	10.30	-120.30
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013201671	1	50	-2.0	-120.78	409.29	11.41	-109.37
COCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201672	1	44	-2.0	-125.03	384.31	5.96	-119.07
CCCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201673	1	52	-2.0	-123.12	437.43	10.05	-113.07
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013201674	1	49	-2.0	-125.54	407.05	8.96	-116.58
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)=N1	REAL300013201675	1	50	-2.0	-131.43	403.83	10.79	-120.64
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)=N1	REAL300013201676	1	47	-2.0	-115.08	384.00	10.05	-105.03
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C1CC1	REAL300013201677	1	50	-2.0	-117.80	407.77	11.74	-106.06
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300013201678	1	46	-2.0	-120.15	394.48	10.59	-109.56
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)=N1	REAL300013201679	1	50	-2.0	-112.69	410.25	11.05	-101.64
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(CC)C(=O)[O-]	REAL300013201680	1	52	-2.0	-124.40	421.87	12.54	-111.86
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013201681	1	37	-2.0	-106.08	330.32	5.89	-100.19
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013201682	1	49	-2.0	-124.06	410.79	9.11	-114.95
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013201683	1	48	-2.0	-125.71	397.21	7.53	-118.18
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201684	1	47	-2.0	-122.93	407.25	9.05	-113.88
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013201685	1	40	-2.0	-106.54	354.73	6.74	-99.80
CCC(CC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201686	1	49	-2.0	-127.18	393.75	8.95	-118.23
CCC(COC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201687	1	50	-2.0	-130.22	411.99	8.25	-121.97
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013201688	1	47	-2.0	-123.94	407.87	9.41	-114.53
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201689	1	47	-2.0	-120.71	406.61	6.78	-113.93
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013201690	1	43	-2.0	-117.40	382.72	8.27	-109.13
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013201691	1	43	-2.0	-117.25	378.70	7.89	-109.36
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013201692	1	46	-2.0	-119.72	383.67	8.19	-111.53
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013201693	1	43	-2.0	-113.15	369.41	9.20	-103.95
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013201694	1	45	-2.0	-135.67	383.21	10.44	-125.23
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013201695	1	49	-2.0	-125.54	407.05	8.96	-116.58
C=C(Cl)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201696	1	44	-2.0	-119.98	401.38	8.81	-111.17
C=C(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201697	1	47	-2.0	-122.42	405.96	8.95	-113.47
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013201698	1	48	-2.0	-135.32	393.44	11.06	-124.26
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013201699	1	45	-2.0	-129.95	385.56	6.08	-123.87
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013201700	1	44	-2.0	-120.48	389.82	10.03	-110.45
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013201701	1	44	-2.0	-125.55	383.34	9.96	-115.59
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(CC3=CC=C(C)C=C3)S2)C1	REAL300013201702	1	45	-2.0	-132.38	386.78	10.19	-122.19
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013201703	1	49	-2.0	-124.06	410.79	9.11	-114.95
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013201704	1	47	-2.0	-131.06	412.17	10.00	-121.06
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013201705	1	47	-2.0	-123.94	407.87	9.41	-114.53
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300013201706	1	44	-2.0	-121.81	379.67	4.84	-116.97
CSCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201707	1	44	-2.0	-122.76	395.74	8.18	-114.58
COC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201708	1	44	-2.0	-125.05	384.29	5.96	-119.09
CC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201709	1	43	-2.0	-122.32	376.03	7.91	-114.41
CCC(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201710	1	52	-2.0	-125.38	429.87	9.71	-115.67
C=CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201711	1	50	-2.0	-122.94	428.75	9.83	-113.11
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013201712	1	45	-2.0	-130.01	385.60	11.18	-118.83
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013201713	1	44	-2.0	-131.60	377.63	9.60	-122.00
CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201714	1	46	-2.0	-122.80	393.61	8.51	-114.29
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300013201715	1	46	-2.0	-123.88	388.37	8.18	-115.70
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013201716	1	48	-2.0	-138.49	395.66	11.42	-127.07
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(C)(C)C(=O)[O-]	REAL300013201717	1	49	-2.0	-127.80	398.72	10.76	-117.04
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(C)C(=O)[O-]	REAL300013201718	1	49	-2.0	-116.05	406.05	10.78	-105.27
CCC[C@@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201719	1	46	-2.0	-122.79	394.42	8.49	-114.30
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013201720	1	48	-2.0	-132.71	396.97	10.82	-121.89
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013201721	1	47	-2.0	-131.03	409.09	9.79	-121.24
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300013201722	1	46	-2.0	-126.65	380.22	9.88	-116.77
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013201723	1	44	-2.0	-131.71	374.26	9.48	-122.23
CCC(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201726	1	52	-2.0	-125.38	429.87	9.71	-115.67
C#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201727	1	42	-2.0	-122.09	378.38	8.16	-113.93
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013201728	1	43	-2.0	-113.76	365.15	9.09	-104.67
CC(C)=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201729	1	50	-2.0	-124.12	425.61	9.63	-114.49
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N1	REAL300013201730	1	52	-2.0	-117.34	424.24	11.60	-105.74
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1	REAL300013201731	1	46	-2.0	-133.83	408.57	8.42	-125.41
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300013201733	1	46	-2.0	-127.03	407.08	8.21	-118.82
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201734	1	47	-2.0	-122.93	407.25	9.05	-113.88
CC#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201735	1	45	-2.0	-124.23	401.04	9.09	-115.14
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013201736	1	47	-2.0	-130.48	390.53	10.28	-120.20
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013201737	1	46	-2.0	-123.37	387.38	8.18	-115.19
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013201738	1	47	-2.0	-131.11	409.04	9.80	-121.31
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013201739	1	43	-2.0	-113.15	369.41	9.20	-103.95
CCC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201740	1	46	-2.0	-122.95	394.41	8.49	-114.46
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(C)C(=O)[O-]	REAL300013201741	1	46	-2.0	-115.64	384.46	9.92	-105.72
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013201742	1	50	-2.0	-120.78	409.29	11.41	-109.37
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201743	1	49	-2.0	-125.19	407.50	8.82	-116.37
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300013201744	1	46	-2.0	-114.47	385.42	10.17	-104.30
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013201745	1	48	-2.0	-132.41	406.32	5.66	-126.75
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)=N1	REAL300013201746	1	50	-2.0	-130.85	412.32	9.54	-121.31
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201747	1	47	-2.0	-120.71	406.61	6.78	-113.93
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013201748	1	50	-2.0	-131.81	413.82	10.21	-121.60
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013201749	1	47	-2.0	-126.51	394.37	9.07	-117.44
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013201750	1	45	-2.0	-138.56	385.59	6.25	-132.31
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013201751	1	48	-2.0	-121.22	400.08	6.74	-114.48
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013201752	1	48	-2.0	-134.91	395.92	10.89	-124.02
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013201753	1	46	-2.0	-130.40	390.20	8.73	-121.67
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CC(C)CCC2C(=O)[O-])=N1	REAL300013201754	1	50	-2.0	-138.63	401.80	12.01	-126.62
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300013201755	1	44	-2.0	-126.72	383.88	9.72	-117.00
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013201756	1	47	-2.0	-125.88	396.92	8.75	-117.13
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013201757	1	47	-2.0	-125.88	396.92	8.75	-117.13
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300013201758	1	47	-2.0	-134.34	399.57	10.08	-124.26
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201759	1	44	-2.0	-122.14	385.42	8.19	-113.95
COC1CC(NC(=O)[N-]C2=NC(C)=C(CC3=CC=C(C)C=C3)S2)(C(=O)[O-])C1	REAL300013201760	1	48	-2.0	-126.50	408.97	7.38	-119.12
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013201761	1	44	-2.0	-123.17	385.82	8.54	-114.63
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C)=C(CC3=CC=C(C)C=C3)S2)(C(=O)[O-])C1	REAL300013201762	1	48	-2.0	-132.39	406.28	7.64	-124.75
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300013201763	1	50	-2.0	-132.52	407.58	11.35	-121.17
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013201764	1	42	-2.0	-121.13	364.87	5.42	-115.71
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300013201765	1	49	-2.0	-126.53	392.00	8.68	-117.85
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013201766	1	45	-2.0	-136.53	380.83	10.91	-125.62
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013201767	1	48	-2.0	-135.40	396.63	10.52	-124.88
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300013201768	1	49	-2.0	-125.46	401.79	11.39	-114.07
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013201769	1	44	-2.0	-125.55	383.34	9.96	-115.59
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013201770	1	46	-2.0	-126.93	388.76	10.65	-116.28
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013201771	1	50	-2.0	-134.89	410.83	10.65	-124.24
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N1	REAL300013201772	1	52	-2.0	-123.48	432.67	9.81	-113.67
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300013201773	1	51	-2.0	-131.28	420.83	11.30	-119.98
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300013201774	1	44	-2.0	-118.50	378.83	4.36	-114.14
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013201775	1	41	-2.0	-125.90	362.03	3.56	-122.34
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300013201776	1	51	-2.0	-133.68	411.49	10.67	-123.01
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013201777	1	48	-2.0	-132.00	398.76	9.75	-122.25
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300013201778	1	51	-2.0	-133.08	426.06	10.38	-122.70
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013201779	1	50	-2.0	-126.70	412.47	9.38	-117.32
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201780	1	47	-2.0	-125.72	402.92	6.97	-118.75
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300013201781	1	47	-2.0	-132.38	395.87	9.40	-122.98
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013201782	1	50	-2.0	-130.67	417.06	10.71	-119.96
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013201783	1	44	-2.0	-128.03	388.54	10.00	-118.03
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013201784	1	51	-2.0	-136.60	415.15	11.26	-125.34
COCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201785	1	50	-2.0	-123.79	428.11	7.56	-116.23
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300013201786	1	49	-2.0	-115.57	406.94	10.94	-104.63
CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013201787	1	47	-2.0	-125.90	406.17	6.94	-118.96
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300013201788	1	52	-2.0	-124.60	423.80	10.14	-114.46
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=N1	REAL300013201789	1	48	-2.0	-133.55	396.92	9.44	-124.11
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013201790	1	44	-2.0	-116.18	392.96	8.25	-107.93
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1	REAL300013201791	1	47	-2.0	-122.99	416.97	11.11	-111.88
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013201792	1	43	-2.0	-113.70	368.34	9.15	-104.55
COCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201793	1	44	-2.0	-127.22	393.97	7.30	-119.92
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013201794	1	46	-2.0	-117.75	407.54	10.86	-106.89
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013201795	1	41	-2.0	-120.38	373.57	10.02	-110.36
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013201796	1	42	-2.0	-123.36	377.23	6.16	-117.20
C=CC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201797	1	44	-2.0	-122.91	396.10	8.54	-114.37
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013201798	1	43	-2.0	-122.90	384.27	8.02	-114.88
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013201799	1	44	-2.0	-136.74	380.71	11.02	-125.72
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013201800	1	41	-2.0	-130.22	368.80	9.57	-120.65
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013201801	1	44	-2.0	-128.48	383.26	8.63	-119.85
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013201802	1	34	-2.0	-104.92	328.97	5.85	-99.07
CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201803	1	40	-2.0	-121.16	370.76	7.71	-113.45
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013201804	1	43	-2.0	-122.90	384.27	8.02	-114.88
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013201805	1	37	-2.0	-117.88	349.82	8.81	-109.07
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013201806	1	38	-2.0	-124.91	361.19	3.53	-121.38
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013201807	1	38	-2.0	-124.91	361.19	3.53	-121.38
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013201808	1	37	-2.0	-105.97	349.59	6.69	-99.28
CCC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201809	1	46	-2.0	-122.81	403.79	8.86	-113.95
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013201810	1	37	-2.0	-117.88	349.82	8.81	-109.07
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013201811	1	44	-2.0	-136.74	380.71	11.02	-125.72
CCCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201812	1	46	-2.0	-125.09	397.22	8.77	-116.32
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013201813	1	43	-2.0	-119.93	381.87	10.13	-109.80
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013201814	1	41	-2.0	-120.38	373.57	10.02	-110.36
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1	REAL300013201815	1	41	-2.0	-118.44	384.45	10.36	-108.08
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013201816	1	46	-2.0	-117.75	407.54	10.86	-106.89
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013201817	1	40	-2.0	-102.60	362.33	7.07	-95.53
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013201818	1	44	-2.0	-126.76	385.05	8.72	-118.04
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013201819	1	43	-2.0	-119.93	381.87	10.13	-109.80
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1	REAL300013201820	1	43	-2.0	-118.28	393.13	10.55	-107.73
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1	REAL300013201821	1	40	-2.0	-118.87	371.63	9.81	-109.06
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013201822	1	38	-2.0	-124.83	357.79	3.39	-121.44
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201823	1	46	-2.0	-123.92	402.09	8.70	-115.22
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013201824	1	37	-2.0	-105.97	349.59	6.69	-99.28
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013201825	1	44	-2.0	-128.48	383.26	8.63	-119.85
CCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201826	1	43	-2.0	-124.16	375.73	8.01	-116.15
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013201827	1	37	-2.0	-105.84	346.19	6.56	-99.28
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1	REAL300013201828	1	40	-2.0	-118.87	371.63	9.81	-109.06
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013201829	1	42	-2.0	-131.91	380.05	6.19	-125.72
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013201830	1	37	-2.0	-105.86	346.35	6.55	-99.31
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013201831	1	38	-2.0	-128.34	352.52	7.70	-120.64
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013201832	1	42	-2.0	-130.41	371.94	8.59	-121.82
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013201833	1	41	-2.0	-123.06	375.09	8.04	-115.02
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1	REAL300013201834	1	44	-2.0	-119.03	403.01	8.97	-110.06
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013201835	1	41	-2.0	-130.52	372.97	9.43	-121.09
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013201836	1	44	-2.0	-136.94	384.14	11.18	-125.76
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013201837	1	42	-2.0	-128.83	383.44	6.30	-122.53
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013201838	1	40	-2.0	-111.78	360.82	8.80	-102.98
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013201839	1	41	-2.0	-130.71	372.91	9.44	-121.27
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013201840	1	41	-2.0	-128.64	369.31	8.21	-120.43
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201841	1	41	-2.0	-121.01	384.07	8.15	-112.86
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013201842	1	44	-2.0	-129.56	389.25	10.25	-119.31
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013201843	1	41	-2.0	-123.06	375.09	8.04	-115.02
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013201844	1	40	-2.0	-112.57	363.65	8.98	-103.59
CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201845	1	46	-2.0	-121.88	413.75	9.26	-112.62
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013201846	1	44	-2.0	-129.27	386.00	10.13	-119.14
COCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201847	1	41	-2.0	-123.91	383.45	5.93	-117.98
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013201848	1	46	-2.0	-123.71	400.75	8.82	-114.89
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)=N1	REAL300013201849	1	44	-2.0	-113.81	379.27	9.88	-103.93
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1	REAL300013201850	1	43	-2.0	-118.28	393.13	10.55	-107.73
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013201851	1	34	-2.0	-104.92	328.97	5.85	-99.07
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013201852	1	46	-2.0	-123.23	406.88	8.87	-114.36
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201853	1	44	-2.0	-121.72	405.07	9.04	-112.68
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013201854	1	37	-2.0	-105.42	353.37	6.70	-98.72
CCC(CC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201855	1	46	-2.0	-126.11	392.40	8.90	-117.21
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013201856	1	44	-2.0	-122.66	402.35	9.26	-113.40
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201857	1	44	-2.0	-119.61	404.43	6.78	-112.83
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013201858	1	40	-2.0	-116.20	377.34	7.85	-108.35
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013201859	1	43	-2.0	-118.58	382.31	8.15	-110.43
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013201860	1	40	-2.0	-112.04	364.72	9.04	-103.00
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013201861	1	42	-2.0	-134.75	375.14	10.15	-124.60
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013201862	1	46	-2.0	-123.71	400.75	8.82	-114.89
C=C(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201863	1	44	-2.0	-121.23	404.64	8.92	-112.31
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013201864	1	42	-2.0	-128.61	380.85	5.91	-122.70
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013201865	1	41	-2.0	-124.56	378.67	9.79	-114.77
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(CC3=CC=CC(Cl)=C3)S2)C1	REAL300013201866	1	42	-2.0	-131.32	385.44	10.14	-121.18
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013201867	1	46	-2.0	-123.23	406.88	8.87	-114.36
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013201868	1	44	-2.0	-122.66	402.35	9.26	-113.40
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300013201869	1	41	-2.0	-121.01	374.45	4.66	-116.35
CSCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201870	1	41	-2.0	-121.86	395.06	8.11	-113.75
COC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201871	1	41	-2.0	-123.88	379.55	5.79	-118.09
CC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201872	1	40	-2.0	-121.29	371.34	7.75	-113.54
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013201873	1	41	-2.0	-130.52	372.97	9.43	-121.09
CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201874	1	43	-2.0	-121.93	393.09	8.46	-113.47
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300013201875	1	43	-2.0	-122.78	383.71	8.01	-114.77
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(C)(C)C(=O)[O-]	REAL300013201876	1	46	-2.0	-126.77	397.37	10.71	-116.06
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(C)C(=O)[O-]	REAL300013201877	1	46	-2.0	-120.76	405.81	11.64	-109.12
CCC[C@@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201878	1	43	-2.0	-121.63	389.68	8.33	-113.30
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300013201879	1	43	-2.0	-125.62	378.87	9.84	-115.78
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013201880	1	41	-2.0	-130.71	372.91	9.44	-121.27
C#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201882	1	39	-2.0	-121.24	377.86	8.10	-113.14
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013201883	1	40	-2.0	-112.57	363.65	8.98	-103.59
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201885	1	44	-2.0	-121.72	405.07	9.04	-112.68
CC#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201886	1	42	-2.0	-122.96	398.85	9.07	-113.89
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013201887	1	44	-2.0	-129.24	389.27	10.25	-118.99
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013201888	1	43	-2.0	-122.88	384.27	8.02	-114.86
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013201889	1	40	-2.0	-112.04	364.72	9.04	-103.00
CCC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201890	1	43	-2.0	-121.86	389.68	8.33	-113.53
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(C)C(=O)[O-]	REAL300013201891	1	43	-2.0	-114.47	383.10	9.88	-104.59
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201892	1	46	-2.0	-123.92	402.09	8.70	-115.22
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1	REAL300013201893	1	43	-2.0	-112.77	384.67	10.01	-102.76
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201894	1	44	-2.0	-119.61	404.43	6.78	-112.83
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013201895	1	44	-2.0	-125.90	395.19	9.05	-116.85
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013201896	1	42	-2.0	-137.18	380.92	6.08	-131.10
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300013201897	1	41	-2.0	-125.76	375.89	9.43	-116.33
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013201898	1	44	-2.0	-124.90	392.23	8.58	-116.32
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013201899	1	44	-2.0	-124.90	392.23	8.58	-116.32
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300013201900	1	44	-2.0	-133.08	391.57	9.79	-123.29
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201901	1	41	-2.0	-121.01	384.07	8.15	-112.86
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013201902	1	39	-2.0	-120.34	360.21	5.25	-115.09
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300013201903	1	46	-2.0	-125.52	390.65	8.64	-116.88
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013201904	1	42	-2.0	-135.00	379.51	10.88	-124.12
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1	REAL300013201905	1	46	-2.0	-115.63	399.01	10.80	-104.83
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013201906	1	41	-2.0	-124.56	378.67	9.79	-114.77
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300013201907	1	41	-2.0	-126.14	376.07	5.06	-121.08
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013201908	1	38	-2.0	-124.83	357.79	3.39	-121.44
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201909	1	44	-2.0	-124.54	397.70	6.81	-117.73
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300013201910	1	44	-2.0	-130.59	390.73	9.17	-121.42
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1	REAL300013201911	1	46	-2.0	-114.45	405.59	10.90	-103.55
CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013201912	1	44	-2.0	-124.75	405.30	6.90	-117.85
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013201913	1	41	-2.0	-115.13	391.58	8.21	-106.92
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013201914	1	40	-2.0	-111.78	360.82	8.80	-102.98
O=C([O-])C1CC(NC(=O)NC2=CN(CC3=CC=CC=C3)N=C2)(C(=O)[O-])C1	REAL300013202196	0	42	-2.0	-122.79	363.00	7.43	-115.36
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3=CC=CC=C3)C=N2)(C(=O)[O-])C1	REAL300013202519	0	41	-2.0	-131.79	351.35	9.09	-122.70
CSC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300013202771	0	35	-2.0	-127.98	317.30	6.64	-121.34
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202818	1	53	-2.0	-129.19	403.17	8.79	-120.40
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202819	1	50	-2.0	-125.42	394.92	11.34	-114.08
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])C=C1	REAL300013202820	1	47	-2.0	-133.76	381.03	8.39	-125.37
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202821	1	40	-2.0	-119.35	338.78	6.29	-113.06
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCSCC1	REAL300013202822	1	45	-2.0	-126.06	350.89	7.42	-118.64
COCC(C)(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202823	1	44	-2.0	-131.35	346.06	5.18	-126.17
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202824	1	47	-2.0	-118.68	368.36	7.31	-111.37
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202825	1	46	-2.0	-123.92	359.88	8.95	-114.97
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CC1	REAL300013202826	1	41	-2.0	-123.78	328.92	8.01	-115.77
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202827	1	43	-2.0	-116.90	363.36	8.81	-108.09
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCOC1	REAL300013202828	1	42	-2.0	-127.50	329.33	4.03	-123.47
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCCCC1	REAL300013202829	1	50	-2.0	-130.09	376.75	7.85	-122.24
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=C(O)C=C1	REAL300013202830	1	45	-2.0	-130.26	370.87	4.78	-125.48
CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013202831	1	51	-2.0	-120.47	395.95	8.65	-111.82
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202832	1	51	-2.0	-135.90	399.44	11.91	-123.99
C=CCOCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202833	1	45	-2.0	-128.78	369.81	5.35	-123.43
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202834	1	45	-2.0	-145.71	347.08	5.65	-140.06
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202835	1	44	-2.0	-127.31	349.90	6.44	-120.87
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCOCC1	REAL300013202836	1	48	-2.0	-126.63	370.78	5.58	-121.05
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=C(F)C(F)=C1	REAL300013202837	1	44	-2.0	-122.77	372.52	7.77	-115.00
COC1CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(C(=O)[O-])C1	REAL300013202838	1	48	-2.0	-140.19	368.75	8.00	-132.19
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCCOC1	REAL300013202839	1	48	-2.0	-125.69	368.15	5.37	-120.32
CC1CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(C(=O)[O-])C1	REAL300013202840	1	47	-2.0	-141.97	350.36	9.41	-132.56
CC1=CC(C(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])=CC=C1F	REAL300013202841	1	47	-2.0	-126.44	386.56	8.34	-118.10
CC1=CC(C(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])=CC(C)=C1	REAL300013202842	1	50	-2.0	-136.29	402.03	9.01	-127.28
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])C=C1C	REAL300013202843	1	50	-2.0	-136.24	398.23	8.85	-127.39
CC(C)C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202844	1	43	-2.0	-126.70	336.37	5.90	-120.80
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202845	1	44	-2.0	-140.44	336.51	9.01	-131.43
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=C(Cl)C=C1	REAL300013202846	1	44	-2.0	-125.91	376.35	8.24	-117.67
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202847	1	42	-2.0	-133.09	336.30	9.01	-124.08
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCCCC1	REAL300013202848	1	47	-2.0	-132.78	353.58	7.73	-125.05
O=C([O-])C1CCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202849	1	41	-2.0	-134.37	324.23	7.57	-126.80
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCCC1	REAL300013202850	1	44	-2.0	-132.56	338.68	6.64	-125.92
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCCCCC1	REAL300013202851	1	50	-2.0	-133.62	358.85	8.40	-125.22
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202852	1	47	-2.0	-127.66	381.21	8.61	-119.05
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202853	1	47	-2.0	-125.82	382.72	10.68	-115.14
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=CC=C1	REAL300013202854	1	44	-2.0	-133.65	359.86	7.63	-126.02
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=CC=C1	REAL300013202855	1	44	-2.0	-133.98	359.68	7.71	-126.27
CCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202856	1	40	-2.0	-125.13	323.68	5.57	-119.56
CC(C)C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202857	1	43	-2.0	-126.70	336.37	5.90	-120.80
O=C([O-])C(CO)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202858	1	38	-2.0	-128.73	312.79	1.40	-127.33
O=C([O-])C(CO)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202859	1	38	-2.0	-128.73	312.79	1.40	-127.33
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202860	1	47	-2.0	-127.66	381.21	8.61	-119.05
CCC(C)C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202861	1	46	-2.0	-128.19	358.66	6.78	-121.41
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202862	1	44	-2.0	-140.44	336.51	9.01	-131.43
CCCC(C)(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202863	1	46	-2.0	-129.45	349.32	6.65	-122.80
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202864	1	43	-2.0	-123.31	333.95	8.01	-115.30
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CC1	REAL300013202865	1	41	-2.0	-123.78	328.92	8.01	-115.77
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202866	1	41	-2.0	-122.81	336.54	8.24	-114.57
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202867	1	46	-2.0	-123.92	359.88	8.95	-114.97
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202868	1	48	-2.0	-143.08	374.27	11.07	-132.01
CC(C)(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202869	1	40	-2.0	-105.77	314.42	4.95	-100.82
CC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)(C(=O)[O-])C1CC1	REAL300013202870	1	44	-2.0	-130.60	340.54	6.72	-123.88
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=CS1	REAL300013202871	1	41	-2.0	-130.65	351.44	6.72	-123.93
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCCCC1	REAL300013202872	1	47	-2.0	-132.78	353.58	7.73	-125.05
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202873	1	43	-2.0	-123.31	333.95	8.01	-115.30
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202874	1	43	-2.0	-122.69	345.22	8.43	-114.26
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202875	1	40	-2.0	-122.27	323.72	7.67	-114.60
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202876	1	38	-2.0	-128.73	312.79	1.40	-127.33
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202877	1	46	-2.0	-127.86	354.28	6.57	-121.29
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCCC1	REAL300013202878	1	44	-2.0	-132.56	338.68	6.64	-125.92
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202879	1	47	-2.0	-119.53	389.13	10.75	-108.78
CCC(C)(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202880	1	43	-2.0	-128.40	327.82	5.89	-122.51
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC2=CC=CC=C2C1	REAL300013202881	1	48	-2.0	-137.33	378.17	8.78	-128.55
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC(F)=CC=C1F	REAL300013202882	1	44	-2.0	-131.72	370.46	7.86	-123.86
CC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013202883	1	47	-2.0	-136.06	367.94	8.39	-127.67
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202884	1	40	-2.0	-122.27	323.72	7.67	-114.60
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202885	1	55	-2.0	-129.36	413.81	8.98	-120.38
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202886	1	42	-2.0	-136.47	336.30	3.90	-132.57
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013202887	1	38	-2.0	-132.32	308.01	5.70	-126.62
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=C(Cl)C=C1	REAL300013202888	1	44	-2.0	-125.91	376.35	8.24	-117.67
O=C([O-])C1COCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202889	1	42	-2.0	-134.29	327.38	6.58	-127.71
CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013202890	1	50	-2.0	-132.11	364.61	9.45	-122.66
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CC1	REAL300013202891	1	41	-2.0	-127.10	330.58	6.06	-121.04
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202892	1	50	-2.0	-126.06	405.13	11.46	-114.60
CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013202893	1	47	-2.0	-126.49	368.82	9.53	-116.96
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202894	1	44	-2.0	-123.51	355.10	6.85	-116.66
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCC2=CC=CC=C21	REAL300013202895	1	48	-2.0	-141.42	374.55	8.69	-132.73
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202896	1	41	-2.0	-127.95	324.29	6.80	-121.15
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202897	1	44	-2.0	-132.00	334.18	8.58	-123.42
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202898	1	42	-2.0	-133.51	336.20	3.92	-129.59
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202899	1	40	-2.0	-115.13	316.31	6.81	-108.32
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202900	1	41	-2.0	-127.31	323.35	6.88	-120.43
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCC1	REAL300013202901	1	41	-2.0	-132.60	324.81	6.22	-126.38
C=CCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202902	1	41	-2.0	-124.82	336.16	6.03	-118.79
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202903	1	44	-2.0	-133.84	341.35	8.13	-125.71
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202904	1	47	-2.0	-139.75	351.14	9.79	-129.96
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CC1	REAL300013202905	1	41	-2.0	-127.10	330.58	6.06	-121.04
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202906	1	40	-2.0	-116.01	315.75	6.86	-109.15
CCCCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202907	1	46	-2.0	-125.84	365.84	7.13	-118.71
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=CC(O)=C1	REAL300013202908	1	45	-2.0	-133.82	370.83	4.79	-129.03
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202909	1	50	-2.0	-126.06	405.13	11.46	-114.60
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202910	1	44	-2.0	-133.73	341.50	8.12	-125.61
CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013202911	1	50	-2.0	-132.11	364.61	9.45	-122.66
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCCC1	REAL300013202912	1	47	-2.0	-123.15	360.06	9.25	-113.90
COCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202913	1	41	-2.0	-127.74	335.54	3.81	-123.93
CCCCCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202914	1	49	-2.0	-125.85	387.34	7.91	-117.94
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202915	1	46	-2.0	-128.35	354.47	6.67	-121.68
CCC1CCC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)(C(=O)[O-])CC1	REAL300013202916	1	53	-2.0	-133.61	392.20	8.97	-124.64
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCOCC1	REAL300013202917	1	48	-2.0	-123.36	368.50	7.58	-115.78
CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1(C(=O)[O-])CCCC1	REAL300013202918	1	47	-2.0	-134.71	351.25	8.50	-126.21
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CC1	REAL300013202919	1	44	-2.0	-115.05	341.39	9.36	-105.69
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CC1	REAL300013202920	1	47	-2.0	-120.17	358.47	9.57	-110.60
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=CC=C1Cl	REAL300013202921	1	44	-2.0	-133.29	370.98	8.11	-125.18
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=CC=C1F	REAL300013202922	1	44	-2.0	-137.44	364.39	7.79	-129.65
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202923	1	48	-2.0	-132.86	376.83	10.47	-122.39
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])=C1C	REAL300013202924	1	50	-2.0	-135.35	389.84	8.67	-126.68
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202925	1	43	-2.0	-122.69	345.22	8.43	-114.26
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CC1	REAL300013202926	1	48	-2.0	-117.25	371.02	8.81	-108.44
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCC1	REAL300013202927	1	47	-2.0	-114.44	357.75	8.75	-105.69
CCCN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(COC)C(=O)[O-]	REAL300013202928	1	50	-2.0	-129.41	387.79	9.29	-120.12
CCCN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(CC)C(=O)[O-]	REAL300013202929	1	49	-2.0	-128.51	374.00	9.97	-118.54
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202930	1	46	-2.0	-127.11	362.33	6.91	-120.20
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCOCC1	REAL300013202931	1	45	-2.0	-128.31	344.62	5.24	-123.07
C=CCCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202932	1	44	-2.0	-125.71	357.99	6.90	-118.81
O=C([O-])C(CF)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202933	1	37	-2.0	-108.76	305.47	4.57	-104.19
CCC(CC)(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202934	1	46	-2.0	-129.74	344.20	6.79	-122.95
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])C=C1	REAL300013202935	1	48	-2.0	-130.66	389.11	7.02	-123.64
CCC(COC)(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202936	1	47	-2.0	-133.37	362.74	6.08	-127.29
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202937	1	44	-2.0	-126.70	354.45	7.14	-119.56
COCCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202938	1	44	-2.0	-123.38	357.35	4.63	-118.75
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202939	1	40	-2.0	-120.12	333.46	6.11	-114.01
CCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013202940	1	50	-2.0	-137.48	384.63	9.23	-128.25
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])C1	REAL300013202941	1	54	-2.0	-130.70	411.93	6.99	-123.71
O=C([O-])C(CCF)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202942	1	40	-2.0	-119.87	329.44	5.73	-114.14
COC1(CC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])CCC1	REAL300013202943	1	51	-2.0	-130.28	393.42	7.01	-123.27
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCOCC1	REAL300013202944	1	48	-2.0	-123.36	368.50	7.58	-115.78
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCCCC1	REAL300013202945	1	50	-2.0	-124.85	377.45	9.95	-114.90
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)(C(=O)[O-])CC1	REAL300013202946	1	50	-2.0	-134.22	367.38	8.11	-126.11
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])=C1	REAL300013202947	1	48	-2.0	-135.60	388.71	6.97	-128.63
CC(CCF)(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202948	1	43	-2.0	-122.16	334.41	6.03	-116.13
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC3=C(CCCCCC3)S1)OC=C2	REAL300013202949	1	45	-2.0	-128.86	359.43	8.58	-120.28
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])=C1	REAL300013202950	1	48	-2.0	-135.82	389.34	6.93	-128.89
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202951	1	40	-2.0	-116.08	315.89	6.92	-109.16
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013202952	1	50	-2.0	-135.21	391.37	9.59	-125.62
CC1(C)CCCC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)(C(=O)[O-])C1	REAL300013202953	1	53	-2.0	-135.21	381.11	8.61	-126.60
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202954	1	42	-2.0	-138.70	330.63	8.17	-130.53
COC1CN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(C)(C(=O)[O-])C1	REAL300013202955	1	48	-2.0	-133.03	374.59	7.09	-125.94
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202956	1	51	-2.0	-128.35	390.84	7.07	-121.28
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202957	1	46	-2.0	-128.35	354.47	6.67	-121.68
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202958	1	41	-2.0	-122.76	352.94	6.62	-116.14
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202959	1	44	-2.0	-125.19	356.70	6.79	-118.40
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202960	1	45	-2.0	-138.38	344.17	8.90	-129.48
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202961	1	42	-2.0	-133.20	336.67	3.91	-129.29
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202962	1	41	-2.0	-116.29	335.56	7.27	-109.02
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202963	1	41	-2.0	-127.60	331.13	7.67	-119.93
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013202964	1	42	-2.0	-135.54	337.47	8.01	-127.53
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202965	1	51	-2.0	-124.92	390.93	7.05	-117.87
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202966	1	46	-2.0	-127.11	362.33	6.91	-120.20
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCOCC1	REAL300013202967	1	48	-2.0	-126.63	370.78	5.58	-121.05
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=CC=C1	REAL300013202968	1	44	-2.0	-133.98	359.68	7.71	-126.27
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202969	1	44	-2.0	-126.70	354.45	7.14	-119.56
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202970	1	43	-2.0	-125.07	368.66	5.73	-119.34
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202971	1	52	-2.0	-126.25	404.91	8.43	-117.82
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202972	1	48	-2.0	-133.08	379.63	6.01	-127.07
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202973	1	41	-2.0	-129.98	332.31	2.45	-127.53
CSCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202974	1	41	-2.0	-125.57	346.48	6.02	-119.55
COC[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202975	1	41	-2.0	-127.84	335.05	3.80	-124.04
CC[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202976	1	40	-2.0	-125.14	323.68	5.57	-119.57
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202977	1	47	-2.0	-122.64	388.61	8.64	-114.00
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202978	1	49	-2.0	-128.33	380.61	7.55	-120.78
C=CCCCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202979	1	47	-2.0	-125.63	378.65	7.69	-117.94
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202980	1	47	-2.0	-123.02	387.63	8.67	-114.35
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202981	1	42	-2.0	-133.09	336.30	9.01	-124.08
CC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013202982	1	47	-2.0	-136.06	367.94	8.39	-127.67
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202983	1	41	-2.0	-127.95	324.29	6.80	-121.15
CCCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202984	1	43	-2.0	-125.65	344.34	6.35	-119.30
CC(C)[C@@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202985	1	43	-2.0	-126.32	340.72	6.15	-120.17
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202986	1	45	-2.0	-141.71	346.39	9.25	-132.46
CCN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(C)(C)C(=O)[O-]	REAL300013202987	1	46	-2.0	-130.39	349.46	8.59	-121.80
CCCN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(C)C(=O)[O-]	REAL300013202988	1	46	-2.0	-118.11	356.64	8.62	-109.49
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202989	1	43	-2.0	-125.24	345.18	6.32	-118.92
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202990	1	45	-2.0	-135.09	349.40	8.51	-126.58
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=CC=C1	REAL300013202991	1	44	-2.0	-133.65	359.86	7.63	-126.02
CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(C)(C)C(=O)[O-]	REAL300013202992	1	43	-2.0	-129.25	330.96	7.72	-121.53
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202993	1	41	-2.0	-127.31	323.35	6.88	-120.43
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202996	1	49	-2.0	-128.33	380.61	7.55	-120.78
C#CCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202997	1	39	-2.0	-124.87	329.12	6.00	-118.87
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202998	1	50	-2.0	-121.95	387.54	10.63	-111.32
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013202999	1	40	-2.0	-116.01	315.75	6.86	-109.15
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203000	1	47	-2.0	-126.93	376.36	7.46	-119.47
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203001	1	46	-2.0	-124.08	377.23	6.80	-117.28
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203002	1	50	-2.0	-119.69	388.63	8.05	-111.64
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203003	1	49	-2.0	-118.15	374.04	9.34	-108.81
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=CC=N1	REAL300013203004	1	43	-2.0	-135.97	356.36	6.12	-129.85
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203005	1	50	-2.0	-136.68	378.82	10.05	-126.63
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203006	1	50	-2.0	-121.68	387.92	10.70	-110.98
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203009	1	46	-2.0	-124.08	377.23	6.80	-117.28
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=CN=C1	REAL300013203010	1	43	-2.0	-129.67	354.14	5.88	-123.79
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203011	1	48	-2.0	-133.89	370.69	8.39	-125.50
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203012	0	48	-2.0	-138.07	378.23	11.57	-126.50
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)[C@H]1C(=O)[O-]	REAL300013203013	0	51	-2.0	-124.36	387.26	10.60	-113.76
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203014	1	49	-2.0	-124.63	399.72	7.65	-116.98
C=CCCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203015	1	44	-2.0	-125.71	357.99	6.90	-118.81
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203016	1	43	-2.0	-126.62	368.63	5.57	-121.05
CC#CCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203017	1	42	-2.0	-126.84	350.94	6.95	-119.89
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1=O	REAL300013203018	1	45	-2.0	-129.12	352.89	7.03	-122.09
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203019	1	44	-2.0	-126.15	339.72	7.66	-118.49
CC(C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203020	1	43	-2.0	-126.65	336.46	5.89	-120.76
O=C([O-])[C@@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=CC=C1	REAL300013203021	1	44	-2.0	-134.07	359.81	7.65	-126.42
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203022	1	47	-2.0	-131.01	369.28	6.93	-124.08
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203023	1	40	-2.0	-116.08	315.89	6.92	-109.16
CCC[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203024	1	43	-2.0	-125.71	345.18	6.33	-119.38
CCN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(C)C(=O)[O-]	REAL300013203025	1	43	-2.0	-117.99	335.30	7.76	-110.23
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCCC1	REAL300013203026	1	47	-2.0	-123.15	360.06	9.25	-113.90
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203027	1	46	-2.0	-127.86	354.28	6.57	-121.29
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203028	1	43	-2.0	-116.84	336.18	8.01	-108.83
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC(CO)C1	REAL300013203029	1	45	-2.0	-135.32	357.08	3.50	-131.82
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203030	1	53	-2.0	-132.09	404.12	6.75	-125.34
CC1CCC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)(C(=O)[O-])C1	REAL300013203031	1	47	-2.0	-133.54	359.75	7.25	-126.29
CC1(C)CCCC1(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203032	1	50	-2.0	-136.33	369.22	8.00	-128.33
COCCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203033	1	44	-2.0	-123.38	357.35	4.63	-118.75
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)(C(=O)[O-])C1	REAL300013203034	1	47	-2.0	-134.48	361.25	7.93	-126.55
CC1(C(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])CC1	REAL300013203035	1	44	-2.0	-129.44	347.28	6.92	-122.52
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203036	1	53	-2.0	-131.91	407.72	6.77	-125.14
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203037	1	42	-2.0	-141.67	336.70	4.08	-137.59
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCOC1	REAL300013203038	1	45	-2.0	-123.65	350.91	4.50	-119.15
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203039	1	45	-2.0	-130.23	344.35	8.24	-121.99
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CNC2=CC=CC=C12	REAL300013203040	1	48	-2.0	-139.26	391.74	7.70	-131.56
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC3=C(CCCCCC3)S1)C2	REAL300013203041	1	43	-2.0	-133.54	337.63	6.43	-127.11
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013203042	1	47	-2.0	-141.34	352.93	9.85	-131.49
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203043	1	50	-2.0	-128.38	397.20	8.93	-119.45
CN(C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1(C(=O)[O-])CC1	REAL300013203044	1	41	-2.0	-128.81	331.68	7.43	-121.38
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203045	1	51	-2.0	-128.40	396.74	8.71	-119.69
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCC1	REAL300013203046	1	44	-2.0	-127.97	344.71	6.46	-121.51
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCCCC1	REAL300013203047	1	50	-2.0	-130.09	376.75	7.85	-122.24
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCC1	REAL300013203048	1	44	-2.0	-127.97	344.71	6.46	-121.51
CC1CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1C(=O)[O-]	REAL300013203049	1	44	-2.0	-135.40	337.97	8.12	-127.28
C=CCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203050	1	41	-2.0	-124.82	336.16	6.03	-118.79
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203051	1	51	-2.0	-130.04	395.92	7.29	-122.75
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203052	1	51	-2.0	-132.00	370.01	9.00	-123.00
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)(C(=O)[O-])CCO1	REAL300013203053	1	51	-2.0	-129.33	373.71	6.53	-122.80
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC3=C(CCCCCC3)S1)C2C(=O)[O-]	REAL300013203054	1	51	-2.0	-133.41	394.41	10.94	-122.47
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203055	1	51	-2.0	-128.40	396.74	8.71	-119.69
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203056	1	47	-2.0	-124.91	388.52	8.64	-116.27
COC1CC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)(C(=O)[O-])C1	REAL300013203057	1	45	-2.0	-128.96	356.77	5.09	-123.87
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC(F)(F)C1	REAL300013203058	1	41	-2.0	-125.70	333.23	6.25	-119.45
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)(C(=O)[O-])C1	REAL300013203059	1	45	-2.0	-135.82	357.10	5.47	-130.35
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1(C(F)(F)F)CC1	REAL300013203060	1	44	-2.0	-123.98	363.80	7.32	-116.66
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203061	1	47	-2.0	-135.03	355.09	9.05	-125.98
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203062	1	40	-2.0	-119.35	338.78	6.29	-113.06
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203063	1	48	-2.0	-126.09	377.25	5.64	-120.45
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)COC1	REAL300013203064	1	39	-2.0	-123.71	315.57	3.25	-120.46
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203065	1	44	-2.0	-125.40	374.06	7.62	-117.78
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203066	1	46	-2.0	-129.94	344.55	6.58	-123.36
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203067	1	42	-2.0	-131.18	329.91	8.27	-122.91
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203068	1	45	-2.0	-130.65	346.10	7.78	-122.87
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203069	1	50	-2.0	-121.68	387.92	10.70	-110.98
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203070	1	53	-2.0	-129.19	403.17	8.79	-120.40
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203071	1	50	-2.0	-128.03	405.08	9.36	-118.67
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203072	1	50	-2.0	-127.46	404.84	9.41	-118.05
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CC2CCC1C2	REAL300013203073	1	51	-2.0	-131.68	386.41	8.40	-123.28
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203074	1	53	-2.0	-128.84	404.12	8.76	-120.08
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203075	1	53	-2.0	-129.35	404.01	8.77	-120.58
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203076	1	51	-2.0	-133.75	386.41	9.60	-124.15
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203077	1	51	-2.0	-139.07	383.19	9.30	-129.77
C=CCSCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203078	1	45	-2.0	-126.18	380.75	7.47	-118.71
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])C=C1	REAL300013203079	1	48	-2.0	-121.40	402.69	9.03	-112.37
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203080	1	46	-2.0	-119.15	351.10	8.69	-110.46
COC1(C(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C(=O)[O-])CCC1	REAL300013203081	1	48	-2.0	-127.33	371.28	5.23	-122.10
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCC2=CC=CC=C2C1	REAL300013203082	1	51	-2.0	-137.69	391.09	9.66	-128.03
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC(C(F)F)C1	REAL300013203083	1	44	-2.0	-134.43	356.81	7.06	-127.37
O=C([O-])C1CC(NC(=O)NC2=NC3=C(CCCCCC3)S2)(C(=O)[O-])C1	REAL300013203084	0	44	-2.0	-130.57	356.87	8.01	-122.56
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)(C(=O)[O-])C1	REAL300013203084	1	43	-3.0	-212.14	353.68	6.82	-205.32
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203085	1	41	-2.0	-127.60	331.13	7.67	-119.93
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203086	1	43	-2.0	-131.49	339.12	7.98	-123.51
CC1(C)CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1C(=O)[O-]	REAL300013203087	1	47	-2.0	-137.33	356.61	8.53	-128.80
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203088	1	51	-2.0	-144.13	382.19	10.72	-133.41
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCC2=CC=CC=C21	REAL300013203089	1	51	-2.0	-124.10	397.62	9.92	-114.18
CC(C)CCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203090	1	49	-2.0	-126.35	383.41	7.65	-118.70
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203091	1	48	-2.0	-134.94	374.28	9.12	-125.82
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203092	1	48	-2.0	-126.09	377.25	5.64	-120.45
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013203093	1	45	-2.0	-130.51	367.37	8.74	-121.77
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203094	1	41	-2.0	-130.02	331.57	3.06	-126.96
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203095	1	38	-2.0	-128.73	312.79	1.40	-127.33
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCCC2CC21	REAL300013203096	1	48	-2.0	-136.87	359.03	8.36	-128.51
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCC2CC21	REAL300013203097	1	45	-2.0	-135.41	346.17	7.46	-127.95
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC2(CCC2)C1	REAL300013203098	1	48	-2.0	-134.73	367.42	7.84	-126.89
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC3=C(CCCCCC3)S1)CCCCC2	REAL300013203099	1	54	-2.0	-135.56	400.72	10.06	-125.50
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCCC1	REAL300013203100	1	47	-2.0	-129.17	359.89	7.09	-122.08
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203101	1	44	-2.0	-128.49	353.19	4.81	-123.68
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203102	1	44	-2.0	-126.47	341.16	6.57	-119.90
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203103	1	47	-2.0	-125.82	382.72	10.68	-115.14
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013203104	1	47	-2.0	-133.12	364.53	8.42	-124.70
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203105	1	44	-2.0	-131.16	347.55	9.17	-121.99
O=C([O-])C1N(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCC1(F)F	REAL300013203106	1	41	-2.0	-130.89	335.95	7.71	-123.18
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203107	1	47	-2.0	-124.91	388.52	8.64	-116.27
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203108	1	44	-2.0	-125.30	372.93	7.48	-117.82
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203109	1	44	-2.0	-127.00	353.95	8.33	-118.67
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC2(CC(F)(F)C2)C1	REAL300013203110	1	48	-2.0	-132.64	386.62	8.27	-124.37
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203111	1	44	-2.0	-125.30	372.93	7.48	-117.82
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203112	1	48	-2.0	-131.37	361.33	8.34	-123.03
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1=CC=C(O)C=C1	REAL300013203113	1	45	-2.0	-130.19	370.63	4.86	-125.33
COCCCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203114	1	47	-2.0	-126.46	378.02	5.42	-121.04
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203115	1	46	-2.0	-117.94	357.68	8.78	-109.16
CCOCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203116	1	44	-2.0	-128.56	357.39	4.78	-123.78
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203117	1	49	-2.0	-127.25	373.65	7.99	-119.26
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CCCCO1	REAL300013203118	1	48	-2.0	-131.96	374.17	5.70	-126.26
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC2=CC=CC=C2C1	REAL300013203119	1	48	-2.0	-137.33	378.17	8.78	-128.55
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)[C@@H]1C(=O)[O-]	REAL300013203120	1	45	-2.0	-127.87	345.97	6.78	-121.09
N#CCCC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203121	1	41	-2.0	-118.62	344.53	6.07	-112.55
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203122	1	44	-2.0	-125.46	364.39	8.82	-116.64
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013203123	1	40	-2.0	-115.13	316.31	6.81	-108.32
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013203124	1	48	-2.0	-128.88	377.47	7.08	-121.80
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C1CC1	REAL300013203125	1	41	-2.0	-119.78	381.65	10.22	-109.56
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203126	1	41	-2.0	-129.63	376.96	9.76	-119.87
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203127	1	34	-2.0	-104.04	333.73	5.92	-98.12
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C(=O)[O-]	REAL300013203128	1	40	-2.0	-120.37	376.35	7.76	-112.61
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203129	1	37	-2.0	-117.09	354.59	8.88	-108.21
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203130	1	38	-2.0	-123.85	365.96	3.59	-120.26
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203131	1	38	-2.0	-123.85	365.96	3.59	-120.26
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C(=O)[O-]	REAL300013203132	1	37	-2.0	-105.04	354.52	6.74	-98.30
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203133	1	37	-2.0	-117.09	354.59	8.88	-108.21
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C1CC1	REAL300013203134	1	41	-2.0	-119.78	381.65	10.22	-109.56
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203135	1	41	-2.0	-116.92	389.21	10.42	-106.50
CC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C(=O)[O-]	REAL300013203136	1	40	-2.0	-101.70	367.10	7.14	-94.56
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203137	1	40	-2.0	-118.12	376.40	9.86	-108.26
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203138	1	38	-2.0	-124.06	365.48	3.58	-120.48
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C(=O)[O-]	REAL300013203139	1	37	-2.0	-105.04	354.52	6.74	-98.30
C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C(=O)[O-]	REAL300013203140	1	37	-2.0	-105.17	354.52	6.74	-98.43
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203141	1	40	-2.0	-118.12	376.40	9.86	-108.26
C[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C(=O)[O-]	REAL300013203142	1	37	-2.0	-105.06	354.52	6.74	-98.32
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CC1	REAL300013203143	1	38	-2.0	-127.91	360.67	7.89	-120.02
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C1CC1	REAL300013203144	1	41	-2.0	-122.96	380.58	8.23	-114.73
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203145	1	41	-2.0	-130.53	379.04	9.40	-121.13
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203146	1	40	-2.0	-111.07	368.99	9.00	-102.07
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203147	1	41	-2.0	-128.06	376.61	9.76	-118.30
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CCC1	REAL300013203148	1	41	-2.0	-128.14	377.51	8.41	-119.73
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C(=O)[O-]	REAL300013203149	1	41	-2.0	-120.34	389.63	8.21	-112.13
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C1CC1	REAL300013203150	1	41	-2.0	-122.96	380.58	8.23	-114.73
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203151	1	40	-2.0	-111.11	369.49	9.10	-102.01
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203152	1	34	-2.0	-104.04	333.73	5.92	-98.12
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203153	1	37	-2.0	-104.72	358.45	6.74	-97.98
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203154	1	40	-2.0	-111.84	368.42	9.05	-102.79
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C(=O)[O-]	REAL300013203155	1	40	-2.0	-120.40	375.52	7.77	-112.63
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203156	1	41	-2.0	-130.53	379.04	9.40	-121.13
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203157	1	41	-2.0	-128.06	376.61	9.76	-118.30
C#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C(=O)[O-]	REAL300013203158	1	39	-2.0	-120.05	382.38	8.23	-111.82
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203159	1	40	-2.0	-111.11	369.49	9.10	-102.01
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203160	1	40	-2.0	-111.84	368.42	9.05	-102.79
CN(C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C1(C(=O)[O-])CC1	REAL300013203161	1	41	-2.0	-125.30	383.98	9.63	-115.67
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C(=O)[O-]	REAL300013203162	1	41	-2.0	-120.34	389.63	8.21	-112.13
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203163	1	38	-2.0	-124.06	365.48	3.58	-120.48
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203164	1	40	-2.0	-111.07	368.99	9.00	-102.07
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013203165	1	31	-2.0	-103.31	315.97	5.52	-97.79
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300013203166	1	37	-2.0	-119.60	358.59	7.36	-112.24
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013203167	1	34	-2.0	-116.35	336.82	8.48	-107.87
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300013203168	1	34	-2.0	-104.57	337.07	6.30	-98.27
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013203169	1	34	-2.0	-116.35	336.82	8.48	-107.87
CC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300013203170	1	37	-2.0	-101.08	349.33	6.74	-94.34
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013203171	1	37	-2.0	-117.43	358.63	9.47	-107.96
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300013203172	1	34	-2.0	-104.57	337.07	6.30	-98.27
C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300013203173	1	34	-2.0	-104.33	336.59	6.36	-97.97
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013203174	1	37	-2.0	-117.43	358.63	9.47	-107.96
C[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300013203175	1	34	-2.0	-104.41	336.76	6.35	-98.06
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(Br)=C3)S2)CC1	REAL300013203176	1	35	-2.0	-127.09	342.90	7.50	-119.59
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013203177	1	37	-2.0	-110.36	351.22	8.60	-101.76
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013203178	1	37	-2.0	-110.37	351.22	8.60	-101.77
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013203179	1	31	-2.0	-103.31	315.97	5.52	-97.79
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013203180	1	37	-2.0	-111.17	350.79	8.72	-102.45
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300013203181	1	37	-2.0	-119.79	358.59	7.36	-112.43
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013203182	1	37	-2.0	-110.37	351.22	8.60	-101.77
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013203183	1	37	-2.0	-111.17	350.79	8.72	-102.45
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013203184	1	37	-2.0	-110.36	351.22	8.60	-101.76
C=CCN(C(=O)[N-]C1=NC=C(CC)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013203185	1	44	-2.0	-110.15	376.38	10.37	-99.78
CCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300013203186	1	37	-2.0	-123.23	350.29	7.05	-116.18
CCC1=CN=C([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])S1	REAL300013203187	1	43	-2.0	-127.05	379.41	8.73	-118.32
CCC1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013203188	1	43	-2.0	-122.83	357.47	6.99	-115.84
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013203189	1	40	-2.0	-119.01	348.61	9.50	-109.51
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300013203190	1	37	-2.0	-127.82	334.68	6.55	-121.27
CCC1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013203191	1	30	-2.0	-113.20	293.07	4.49	-108.71
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300013203192	1	40	-2.0	-130.64	359.25	8.13	-122.51
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300013203193	1	35	-2.0	-120.24	304.58	5.56	-114.68
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC)S1	REAL300013203194	1	37	-2.0	-113.33	321.88	5.32	-108.01
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(CC)C2=CC=CC=C2)S1	REAL300013203195	1	43	-2.0	-115.88	358.82	9.50	-106.38
CCC1=CN=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300013203196	1	33	-2.0	-110.78	317.06	6.97	-103.81
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013203197	1	40	-2.0	-124.08	330.46	6.00	-118.08
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013203198	1	35	-2.0	-124.28	324.57	2.92	-121.36
CCC1=CN=C([N-]C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])S1	REAL300013203199	1	37	-2.0	-115.49	369.04	7.82	-107.67
CCC1=CN=C([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])S1	REAL300013203200	1	41	-2.0	-114.81	349.03	6.73	-108.08
CCC1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)S1	REAL300013203201	1	41	-2.0	-128.47	352.80	10.07	-118.40
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013203202	1	38	-2.0	-123.54	321.87	3.53	-120.01
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300013203203	1	34	-2.0	-116.52	326.02	6.00	-110.52
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300013203204	1	34	-2.0	-117.21	335.91	6.44	-110.77
CCC1=CN=C([N-]C(=O)N2CCC(OC)CC2C(=O)[O-])S1	REAL300013203205	1	38	-2.0	-133.73	322.48	6.15	-127.58
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)S1	REAL300013203206	1	38	-2.0	-119.49	321.27	3.61	-115.88
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)S1	REAL300013203207	1	37	-2.0	-120.21	340.25	6.49	-113.72
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300013203208	1	39	-2.0	-125.79	349.20	5.72	-120.07
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300013203209	1	40	-2.0	-129.89	356.33	7.12	-122.77
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)S1	REAL300013203210	1	40	-2.0	-129.45	351.74	7.08	-122.37
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)S1	REAL300013203211	1	39	-2.0	-125.10	353.79	2.92	-122.18
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)S1	REAL300013203212	1	38	-2.0	-123.04	359.08	5.65	-117.39
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013203213	1	34	-2.0	-120.17	330.29	6.32	-113.85
CCC1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013203214	1	32	-2.0	-126.84	290.06	7.18	-119.66
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300013203215	1	40	-2.0	-127.59	312.55	6.55	-121.04
CCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013203216	1	37	-2.0	-121.55	335.76	6.73	-114.82
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013203217	1	37	-2.0	-119.36	336.40	8.84	-110.52
CCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013203218	1	34	-2.0	-127.56	313.56	5.80	-121.76
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013203219	1	34	-2.0	-127.35	312.91	5.83	-121.52
CCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013203220	1	37	-2.0	-121.55	335.76	6.73	-114.82
CCC1=CN=C([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300013203221	1	38	-2.0	-136.48	328.01	9.26	-127.22
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)S1	REAL300013203222	1	31	-2.0	-124.21	304.93	4.95	-119.26
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)S1	REAL300013203223	1	37	-2.0	-108.85	347.09	9.07	-99.78
CCC1=CN=C([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013203224	1	41	-2.0	-127.21	364.85	6.81	-120.40
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)S1	REAL300013203225	1	45	-2.0	-123.66	395.41	7.45	-116.21
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)S1	REAL300013203226	1	34	-2.0	-120.20	334.86	6.42	-113.78
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300013203227	1	37	-2.0	-108.54	336.76	8.61	-99.93
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013203228	1	38	-2.0	-130.95	331.50	6.94	-124.01
CCC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)S1	REAL300013203229	1	37	-2.0	-108.81	355.36	8.72	-100.09
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300013203230	1	34	-2.0	-126.77	324.34	5.95	-120.82
CCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013203231	1	37	-2.0	-129.38	321.64	6.55	-122.83
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(CC)S1)C(=O)[O-]	REAL300013203232	1	45	-2.0	-123.51	367.51	7.15	-116.36
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)S1	REAL300013203233	1	38	-2.0	-120.77	358.49	6.69	-114.08
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013203234	1	34	-2.0	-120.17	330.29	6.32	-113.85
CCC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013203235	1	40	-2.0	-126.39	318.31	7.61	-118.78
CCC1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013203236	1	40	-2.0	-119.51	358.83	9.61	-109.90
CCC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013203237	1	37	-2.0	-121.24	322.58	7.69	-113.55
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)S1	REAL300013203238	1	38	-2.0	-134.68	328.23	6.81	-127.87
CCC1=CN=C([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013203239	1	41	-2.0	-127.68	369.46	6.74	-120.94
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300013203240	1	35	-2.0	-126.64	324.58	2.93	-123.71
CCC1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013203241	1	40	-2.0	-119.51	358.83	9.61	-109.90
CCC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013203242	1	40	-2.0	-126.39	318.31	7.61	-118.78
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(CC)CC2)S1	REAL300013203243	1	43	-2.0	-127.59	345.96	7.14	-120.45
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013203244	1	38	-2.0	-117.02	322.20	5.73	-111.29
CCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)S1	REAL300013203245	1	37	-2.0	-119.42	353.54	7.53	-111.89
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)S1	REAL300013203246	1	34	-2.0	-127.70	324.30	6.27	-121.43
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)S1	REAL300013203247	1	34	-2.0	-132.22	317.95	5.89	-126.33
CCC1=CN=C([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013203248	1	38	-2.0	-126.85	330.50	8.55	-118.30
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)S1	REAL300013203249	1	40	-2.0	-128.58	344.28	6.93	-121.65
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300013203250	1	38	-2.0	-123.14	349.28	5.16	-117.98
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013203251	1	40	-2.0	-107.76	369.14	9.55	-98.21
CCC1=CN=C([N-]C(=O)N(C(COC)C(=O)[O-])C2CC2)S1	REAL300013203252	1	38	-2.0	-111.85	324.78	6.96	-104.89
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)S1	REAL300013203253	1	37	-2.0	-114.67	357.72	9.45	-105.22
CCCN(C(=O)[N-]C1=NC=C(CC)S1)C(COC)C(=O)[O-]	REAL300013203254	1	40	-2.0	-116.39	337.64	6.23	-110.16
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)S1	REAL300013203255	1	38	-2.0	-124.76	343.06	5.08	-119.68
CCC1=CN=C([N-]C(=O)NC(CC)(COC)C(=O)[O-])S1	REAL300013203256	1	37	-2.0	-126.99	316.43	4.24	-122.75
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)S1	REAL300013203257	1	37	-2.0	-121.24	323.36	1.88	-119.36
CCC1=CN=C([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013203258	1	40	-2.0	-124.21	354.98	7.91	-116.30
CCC1=CN=C([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013203259	1	40	-2.0	-130.65	338.36	7.43	-123.22
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)S1	REAL300013203260	1	44	-2.0	-126.90	363.59	4.93	-121.97
CCC1=CN=C([N-]C(=O)NC(CC2(OC)CCC2)C(=O)[O-])S1	REAL300013203261	1	41	-2.0	-124.23	347.47	5.14	-119.09
CCC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013203262	1	41	-2.0	-123.36	351.99	6.97	-116.39
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013203263	1	38	-2.0	-117.02	322.20	5.73	-111.29
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)S1	REAL300013203264	1	40	-2.0	-118.31	331.15	8.11	-110.20
CCC1=CN=C([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)S1	REAL300013203265	1	40	-2.0	-127.97	320.70	6.28	-121.69
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013203266	1	38	-2.0	-129.32	343.06	5.09	-124.23
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)S1	REAL300013203267	1	34	-2.0	-126.68	327.63	6.33	-120.35
CCC1=CN=C([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])S1	REAL300013203268	1	35	-2.0	-123.09	313.13	6.73	-116.36
CCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013203269	1	38	-2.0	-129.22	342.41	5.13	-124.09
CCC1=CN=C([N-]C(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])S1	REAL300013203270	1	40	-2.0	-129.38	344.74	7.76	-121.62
CCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])S1	REAL300013203271	1	41	-2.0	-124.13	365.27	6.03	-118.10
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)S1	REAL300013203272	1	43	-2.0	-129.29	334.81	6.77	-122.52
CCC1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])S1	REAL300013203273	1	40	-2.0	-121.00	355.68	7.40	-113.60
CCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300013203274	1	39	-2.0	-127.83	349.84	7.22	-120.61
CCC1=CN=C([N-]C(=O)N2CC(OC)CC2(C)C(=O)[O-])S1	REAL300013203275	1	38	-2.0	-126.77	328.30	5.25	-121.52
CCC1=CN=C([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])S1	REAL300013203276	1	41	-2.0	-122.01	344.55	5.23	-116.78
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CC)S1)C(=O)[O-]	REAL300013203277	1	31	-2.0	-116.56	305.61	4.90	-111.66
CCC1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013203278	1	40	-2.0	-120.74	345.35	6.95	-113.79
CCC1=CN=C([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300013203279	1	31	-2.0	-117.23	290.94	5.90	-111.33
CCC1=CN=C([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300013203280	1	41	-2.0	-120.50	348.84	4.53	-115.97
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013203281	1	38	-2.0	-123.54	321.87	3.53	-120.01
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013203282	1	34	-2.0	-127.35	312.91	5.83	-121.52
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300013203283	1	37	-2.0	-122.34	352.02	6.87	-115.47
CCC1=CN=C([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])S1	REAL300013203284	1	33	-2.0	-118.90	322.36	3.89	-115.01
CCC1=CN=C([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])S1	REAL300013203285	1	42	-2.0	-120.05	359.44	6.56	-113.49
CCC1=CN=C([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])S1	REAL300013203286	1	40	-2.0	-124.82	365.14	7.26	-117.56
CCC1=CN=C([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])S1	REAL300013203287	1	38	-2.0	-126.93	333.33	4.16	-122.77
CCC1=CN=C([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013203288	1	37	-2.0	-116.96	342.17	6.79	-110.17
CCC1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013203289	1	37	-2.0	-117.08	342.17	6.80	-110.28
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300013203290	1	40	-2.0	-135.96	354.27	7.95	-128.01
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)S1	REAL300013203291	1	38	-2.0	-128.95	356.87	5.76	-123.19
CCC1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013203292	1	32	-2.0	-126.84	290.06	7.18	-119.66
CCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013203293	1	37	-2.0	-129.38	321.64	6.55	-122.83
CCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300013203294	1	37	-2.0	-125.98	342.92	7.16	-118.82
CCC1=CN=C([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013203295	1	39	-2.0	-120.13	335.25	7.32	-112.81
CCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013203296	1	34	-2.0	-127.56	313.56	5.80	-121.76
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300013203297	1	37	-2.0	-118.55	352.25	6.79	-111.76
CCC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])S1	REAL300013203299	1	40	-2.0	-115.75	340.62	8.68	-107.07
CCC1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013203300	1	36	-2.0	-118.37	330.93	4.96	-113.41
CCC1=CN=C([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])S1	REAL300013203301	1	40	-2.0	-114.06	342.15	6.07	-107.99
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)S1	REAL300013203302	1	33	-2.0	-130.22	309.68	4.29	-125.93
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC)S1	REAL300013203303	1	40	-2.0	-130.24	332.58	8.11	-122.13
CCC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013203304	1	40	-2.0	-115.82	341.18	8.81	-107.01
CCC1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013203306	1	36	-2.0	-118.37	330.93	4.96	-113.41
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)S1	REAL300013203307	1	33	-2.0	-123.45	308.20	4.08	-119.37
CCC1=CN=C([N-]C(=O)N2CCCC2(COC)C(=O)[O-])S1	REAL300013203309	1	38	-2.0	-128.39	323.99	6.52	-121.87
CCC1=CN=C([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])S1	REAL300013203310	0	38	-2.0	-131.79	331.91	9.73	-122.06
CCC1=CN=C([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])S1	REAL300013203311	0	41	-2.0	-121.42	342.63	9.17	-112.25
CCC1=CN=C([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])S1	REAL300013203312	1	39	-2.0	-118.99	352.83	5.76	-113.23
CCC1=CN=C([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300013203313	1	33	-2.0	-120.79	322.09	3.80	-116.99
CCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300013203314	1	37	-2.0	-122.63	353.82	7.11	-115.52
CCC1=CN=C([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300013203315	1	34	-2.0	-112.86	341.60	5.61	-107.25
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)S1	REAL300013203316	1	31	-2.0	-118.72	325.59	5.55	-113.17
CCC1=CN=C([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])S1	REAL300013203317	1	35	-2.0	-122.55	306.48	5.10	-117.45
CCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013203318	1	34	-2.0	-127.67	313.51	5.80	-121.87
CCC1=CN=C([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])S1	REAL300013203319	1	37	-2.0	-127.53	327.33	5.13	-122.40
CCC1=CN=C([N-]C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013203320	1	43	-2.0	-126.92	361.27	9.93	-116.99
CCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)S1	REAL300013203321	1	43	-2.0	-126.16	361.38	4.99	-121.17
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)S1	REAL300013203322	1	40	-2.0	-130.22	322.92	6.16	-124.06
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)S1	REAL300013203323	1	44	-2.0	-137.95	362.22	8.08	-129.87
CCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)S1	REAL300013203324	1	43	-2.0	-125.91	361.42	4.93	-120.98
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)S1	REAL300013203325	1	48	-2.0	-130.58	414.79	8.08	-122.50
CCC1=CN=C([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])S1	REAL300013203326	1	42	-2.0	-127.80	357.94	9.55	-118.25
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300013203327	1	38	-2.0	-133.71	345.23	5.93	-127.78
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013203328	1	40	-2.0	-123.23	343.19	6.80	-116.43
CCC1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013203329	1	41	-2.0	-122.78	350.07	6.86	-115.92
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)S1	REAL300013203330	1	47	-2.0	-125.72	370.80	6.46	-119.26
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013203331	1	40	-2.0	-124.08	330.46	6.00	-118.08
CCC1=CN=C([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300013203332	1	41	-2.0	-123.92	349.62	5.46	-118.46
CCC1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)S1	REAL300013203333	1	41	-2.0	-126.68	325.45	7.60	-119.08
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)S1	REAL300013203334	1	41	-2.0	-123.68	327.44	4.68	-119.00
CCC1=CN=C([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])S1	REAL300013203335	1	40	-2.0	-123.66	373.76	8.06	-115.60
CCC1=CN=C([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])S1	REAL300013203336	1	41	-2.0	-141.88	344.31	9.69	-132.19
CCC1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013203337	1	41	-2.0	-122.78	350.07	6.86	-115.92
CCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013203338	1	37	-2.0	-119.23	342.22	6.81	-112.42
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)S1	REAL300013203339	1	31	-2.0	-120.05	286.94	4.41	-115.64
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)S1	REAL300013203340	1	34	-2.0	-119.61	318.63	5.21	-114.40
CCC1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013203341	1	30	-2.0	-113.20	293.07	4.49	-108.71
CCC1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013203342	1	38	-2.0	-120.32	330.94	3.80	-116.52
CCC1=CN=C([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])S1	REAL300013203343	1	34	-2.0	-119.82	327.68	5.79	-114.03
CCC1=CN=C([N-]C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013203344	1	41	-2.0	-130.76	354.55	5.76	-125.00
CCC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013203345	1	40	-2.0	-115.82	341.18	8.81	-107.01
CCC1=CN=C([N-]C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300013203346	1	37	-2.0	-117.09	356.22	7.38	-109.71
CCC1=CN=C([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])S1	REAL300013203347	1	41	-2.0	-123.05	375.00	6.32	-116.73
CCC1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013203348	1	43	-2.0	-122.83	357.47	6.99	-115.84
CCC1=CN=C([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013203349	1	40	-2.0	-121.59	357.95	7.53	-114.06
CCC1=CN=C([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013203350	1	40	-2.0	-121.53	358.54	7.57	-113.96
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300013203351	1	41	-2.0	-125.46	337.82	6.39	-119.07
CCC1=CN=C([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013203352	1	43	-2.0	-122.78	357.49	7.00	-115.78
CCC1=CN=C([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013203353	1	43	-2.0	-122.79	356.89	6.94	-115.85
CCC1=CN=C([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])S1	REAL300013203354	1	41	-2.0	-127.18	340.28	7.75	-119.43
CCC1=CN=C([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])S1	REAL300013203355	1	41	-2.0	-132.90	336.80	7.47	-125.43
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)S1	REAL300013203356	1	41	-2.0	-127.60	377.68	6.42	-121.18
CCC1=CN=C([N-]C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])S1	REAL300013203357	1	41	-2.0	-121.43	365.25	6.04	-115.39
C=CCSCC(NC(=O)[N-]C1=NC=C(CC)S1)C(=O)[O-]	REAL300013203358	1	35	-2.0	-120.16	335.36	5.52	-114.64
CCC1=CN=C([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])S1	REAL300013203359	1	38	-2.0	-115.98	355.75	7.16	-108.82
CCC1=CN=C([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])S1	REAL300013203360	1	41	-2.0	-133.68	375.21	6.79	-126.89
CCC1=CN=C([N-]C(=O)NC(CC2=CNC3=CC=C(OC)C=C23)C(=O)[O-])S1	REAL300013203361	1	45	-2.0	-132.47	394.29	6.09	-126.38
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(OC)CCC2)S1	REAL300013203362	1	38	-2.0	-120.95	324.98	3.38	-117.57
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)S1	REAL300013203363	1	40	-2.0	-122.84	339.31	6.72	-116.12
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)S1	REAL300013203364	1	41	-2.0	-131.28	344.85	7.81	-123.47
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)S1	REAL300013203365	1	34	-2.0	-122.56	308.62	5.10	-117.46
CCC1=CN=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013203366	0	34	-2.0	-127.42	310.63	6.18	-121.24
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013203366	1	33	-3.0	-200.76	306.02	4.86	-195.90
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300013203367	1	46	-2.0	-127.38	389.48	8.21	-119.17
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300013203368	1	43	-2.0	-127.31	373.76	7.72	-119.59
CCOC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC)S2)C(=O)[O-])C=C1	REAL300013203369	1	41	-2.0	-124.63	364.88	6.01	-118.62
CCC1=CN=C([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])S1	REAL300013203370	1	41	-2.0	-136.75	334.21	8.75	-128.00
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300013203371	1	41	-2.0	-123.73	353.99	7.69	-116.04
CCC1=CN=C([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])S1	REAL300013203372	1	41	-2.0	-128.35	355.97	6.79	-121.56
CCC1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])S1	REAL300013203373	1	37	-2.0	-120.17	349.53	6.78	-113.39
CCC1=CN=C([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])S1	REAL300013203374	1	38	-2.0	-128.60	327.63	7.27	-121.33
CCC1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013203375	1	38	-2.0	-120.32	330.94	3.80	-116.52
CCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])S1	REAL300013203376	1	37	-2.0	-118.86	357.11	7.36	-111.50
CCC1=CN=C([N-]C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])S1	REAL300013203377	1	35	-2.0	-124.58	322.23	6.73	-117.85
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)S1	REAL300013203378	1	38	-2.0	-128.63	315.22	6.26	-122.37
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300013203379	1	38	-2.0	-128.60	321.13	5.99	-122.61
CCC1=CN=C([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300013203380	1	44	-2.0	-128.71	354.48	8.23	-120.48
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013203381	1	37	-2.0	-119.36	336.40	8.84	-110.52
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300013203382	1	44	-2.0	-128.05	387.73	9.19	-118.86
CCC1=CN=C([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])S1	REAL300013203383	1	38	-2.0	-126.13	339.10	9.08	-117.05
CCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300013203384	1	40	-2.0	-121.13	360.37	7.55	-113.58
CCC1=CN=C([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])S1	REAL300013203385	1	34	-2.0	-125.06	301.31	7.33	-117.73
CCC1=CN=C([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])S1	REAL300013203386	1	31	-2.0	-124.88	289.66	5.87	-119.01
CCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013203387	1	37	-2.0	-119.23	342.22	6.81	-112.42
CCC1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013203388	1	34	-2.0	-119.03	325.80	5.68	-113.35
CCC1=CN=C([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])S1	REAL300013203389	1	34	-2.0	-120.85	307.56	6.50	-114.35
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)S1	REAL300013203390	1	38	-2.0	-126.67	340.32	6.43	-120.24
CCC1=CN=C([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])S1	REAL300013203391	1	42	-2.0	-127.41	365.24	8.12	-119.29
CCC1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013203392	1	34	-2.0	-119.03	325.80	5.68	-113.35
CCC1=CN=C([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013203393	1	38	-2.0	-133.21	316.27	7.13	-126.08
CCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013203394	1	35	-2.0	-124.18	324.31	3.02	-121.16
CCC1=CN=C([N-]C(=O)NC(CCCOC)C(=O)[O-])S1	REAL300013203395	1	37	-2.0	-120.21	332.31	3.62	-116.59
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)S1	REAL300013203396	1	38	-2.0	-126.10	327.87	3.87	-122.23
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300013203397	1	34	-2.0	-122.99	334.85	6.41	-116.58
CCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013203398	1	38	-2.0	-130.95	331.50	6.94	-124.01
CCC1=CN=C([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])S1	REAL300013203399	1	37	-2.0	-112.29	320.66	6.91	-105.38
CCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)S1	REAL300013203400	1	48	-2.0	-131.20	369.94	7.83	-123.37
CCC1=CN=C([N-]C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])S1	REAL300013203401	1	36	-2.0	-116.98	352.14	5.43	-111.55
CCC1=CN=C([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])S1	REAL300013203402	1	40	-2.0	-124.26	361.10	7.08	-117.18
CCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)S1	REAL300013203403	1	34	-2.0	-116.83	318.08	6.98	-109.85
CCC1=CN=C([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])S1	REAL300013203404	1	45	-2.0	-135.86	352.52	7.66	-128.20
CCC1=CN=C([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300013203405	1	36	-2.0	-116.97	347.54	5.35	-111.62
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC)S2)C1	REAL300013203406	1	38	-2.0	-123.68	332.34	5.76	-117.92
CC(C)(C)N1C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013203617	0	41	-2.0	-127.27	343.18	5.68	-121.59
COCC(C)(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203664	1	48	-2.0	-128.71	397.51	7.78	-120.93
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203665	1	50	-2.0	-119.92	411.08	11.34	-108.58
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CC1	REAL300013203666	1	45	-2.0	-121.76	380.43	10.63	-111.13
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCOC1	REAL300013203667	1	46	-2.0	-124.91	380.78	6.64	-118.27
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203668	1	48	-2.0	-122.19	405.14	9.34	-112.85
CC1CCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C(C(=O)[O-])C1	REAL300013203669	1	51	-2.0	-138.97	408.59	12.25	-126.72
CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203670	1	47	-2.0	-124.11	387.82	8.50	-115.61
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203671	1	48	-2.0	-138.19	387.58	11.63	-126.56
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCCCC1	REAL300013203672	1	51	-2.0	-131.01	404.65	10.34	-120.67
O=C([O-])C1CCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203673	1	45	-2.0	-131.61	375.74	10.19	-121.42
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCCC1	REAL300013203674	1	48	-2.0	-130.40	390.13	9.24	-121.16
O=C([O-])CNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203675	1	38	-2.0	-106.00	332.51	6.34	-99.66
CCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203676	1	44	-2.0	-122.64	375.13	8.18	-114.46
CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203677	1	47	-2.0	-124.11	387.82	8.50	-115.61
CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203678	1	41	-2.0	-119.21	353.36	9.30	-109.91
O=C([O-])C(CO)NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203679	1	42	-2.0	-126.12	364.73	4.00	-122.12
O=C([O-])C(CO)NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203680	1	42	-2.0	-126.12	364.73	4.00	-122.12
CC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203681	1	41	-2.0	-107.13	353.13	7.18	-99.95
CCC(C)C(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203682	1	50	-2.0	-124.28	407.33	9.33	-114.95
CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203683	1	41	-2.0	-119.21	353.36	9.30	-109.91
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203684	1	48	-2.0	-138.19	387.58	11.63	-126.56
CCCC(C)(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203685	1	50	-2.0	-126.63	400.77	9.26	-117.37
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203686	1	47	-2.0	-121.26	385.40	10.61	-110.65
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CC1	REAL300013203687	1	45	-2.0	-121.76	380.43	10.63	-111.13
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203688	1	45	-2.0	-120.41	387.98	10.84	-109.57
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203689	1	50	-2.0	-119.92	411.08	11.34	-108.58
CC(C)(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203690	1	44	-2.0	-103.84	365.87	7.56	-96.28
CC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)(C(=O)[O-])C1CC1	REAL300013203691	1	48	-2.0	-128.55	391.99	9.33	-119.22
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCCCC1	REAL300013203692	1	51	-2.0	-131.01	404.65	10.34	-120.67
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203693	1	47	-2.0	-121.26	385.40	10.61	-110.65
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203694	1	47	-2.0	-120.26	396.67	11.04	-109.22
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203695	1	44	-2.0	-120.31	375.17	10.28	-110.03
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203696	1	42	-2.0	-126.01	364.34	4.00	-122.01
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203697	1	50	-2.0	-125.40	406.37	9.14	-116.26
CC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203698	1	41	-2.0	-107.13	353.13	7.18	-99.95
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCCC1	REAL300013203699	1	48	-2.0	-130.40	390.13	9.24	-121.16
CCC(C)(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203700	1	47	-2.0	-125.64	379.27	8.50	-117.14
C[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203701	1	41	-2.0	-107.25	353.30	7.16	-100.09
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203702	1	44	-2.0	-120.31	375.17	10.28	-110.03
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203703	1	46	-2.0	-133.24	387.01	6.80	-126.44
C[C@@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203704	1	41	-2.0	-107.18	353.30	7.17	-100.01
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC1	REAL300013203705	1	42	-2.0	-130.15	359.44	8.32	-121.83
O=C([O-])C1COCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203706	1	46	-2.0	-131.68	378.89	9.20	-122.48
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CC1	REAL300013203707	1	45	-2.0	-124.48	382.03	8.67	-115.81
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203708	1	48	-2.0	-121.11	406.55	9.46	-111.65
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203709	1	45	-2.0	-132.71	377.84	9.82	-122.89
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203710	1	48	-2.0	-138.29	387.66	11.66	-126.63
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203711	1	46	-2.0	-130.49	386.98	6.80	-123.69
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203712	1	44	-2.0	-113.75	367.20	9.47	-104.28
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203713	1	45	-2.0	-132.04	376.47	9.93	-122.11
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCC1	REAL300013203714	1	45	-2.0	-130.45	376.28	8.83	-121.62
C=CCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203715	1	45	-2.0	-122.46	388.44	8.62	-113.84
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203716	1	48	-2.0	-131.22	392.80	10.74	-120.48
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203717	1	51	-2.0	-137.29	402.59	12.39	-124.90
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CC1	REAL300013203718	1	45	-2.0	-124.48	382.03	8.67	-115.81
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203719	1	44	-2.0	-113.87	367.33	9.53	-104.34
CCCCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203720	1	50	-2.0	-123.41	418.13	9.72	-113.69
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203721	1	48	-2.0	-131.07	392.89	10.73	-120.34
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CCCC1	REAL300013203722	1	51	-2.0	-120.82	411.52	11.85	-108.97
COCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203723	1	45	-2.0	-125.19	386.99	6.40	-118.79
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203724	1	50	-2.0	-125.08	404.31	9.30	-115.78
CN(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1(C(=O)[O-])CCCC1	REAL300013203725	1	51	-2.0	-132.05	402.69	11.12	-120.93
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CC1	REAL300013203726	1	48	-2.0	-115.16	386.20	10.50	-104.66
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CC1	REAL300013203727	1	51	-2.0	-117.96	409.98	12.19	-105.77
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203728	1	47	-2.0	-120.26	396.67	11.04	-109.22
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CCC1	REAL300013203729	1	51	-2.0	-112.75	409.70	11.46	-101.29
O=C([O-])CNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203730	1	38	-2.0	-106.00	332.51	6.34	-99.66
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203731	1	50	-2.0	-124.48	413.59	9.54	-114.94
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203732	1	48	-2.0	-123.18	409.44	9.50	-113.68
O=C([O-])C(CF)NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203733	1	41	-2.0	-106.58	356.75	7.20	-99.38
CCC(CC)(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203734	1	50	-2.0	-127.71	395.94	9.39	-118.32
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203735	1	48	-2.0	-124.09	405.90	9.74	-114.35
COCCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203736	1	48	-2.0	-120.85	407.97	7.25	-113.60
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203737	1	44	-2.0	-117.56	384.91	8.72	-108.84
O=C([O-])C(CCF)NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203738	1	44	-2.0	-117.49	381.72	8.32	-109.17
CC(CCF)(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203739	1	47	-2.0	-120.23	385.85	8.64	-111.59
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203740	1	44	-2.0	-113.15	367.76	9.42	-103.73
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203741	1	46	-2.0	-136.27	382.07	10.77	-125.50
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203742	1	50	-2.0	-125.08	404.31	9.30	-115.78
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203743	1	48	-2.0	-122.65	409.01	9.38	-113.27
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203744	1	49	-2.0	-135.82	395.62	11.51	-124.31
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203745	1	46	-2.0	-130.45	387.77	6.53	-123.92
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203746	1	45	-2.0	-125.90	382.23	10.28	-115.62
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013203747	1	46	-2.0	-132.75	388.97	10.63	-122.12
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203748	1	50	-2.0	-124.48	413.59	9.54	-114.94
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203749	1	48	-2.0	-124.09	405.90	9.74	-114.35
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203750	1	45	-2.0	-122.28	381.40	5.28	-117.00
CSCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203751	1	45	-2.0	-123.23	398.60	8.59	-114.64
COC[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203752	1	45	-2.0	-125.32	386.85	6.46	-118.86
CC[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203753	1	44	-2.0	-122.68	375.13	8.17	-114.51
C=CCCCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203754	1	51	-2.0	-123.25	430.94	10.29	-112.96
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203755	1	45	-2.0	-132.71	377.84	9.82	-122.89
CCCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203756	1	47	-2.0	-123.26	396.63	8.94	-114.32
CC(C)[C@@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203757	1	47	-2.0	-124.17	387.26	8.50	-115.67
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203758	1	49	-2.0	-138.87	397.87	11.85	-127.02
CCN(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(C)(C)C(=O)[O-]	REAL300013203759	1	50	-2.0	-128.47	400.90	11.19	-117.28
CCCN(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(C)C(=O)[O-]	REAL300013203760	1	50	-2.0	-123.50	409.35	12.12	-111.38
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203761	1	47	-2.0	-123.20	396.63	8.93	-114.27
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203762	1	49	-2.0	-132.69	400.50	11.12	-121.57
CN(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(C)(C)C(=O)[O-]	REAL300013203763	1	47	-2.0	-127.31	382.41	10.32	-116.99
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203764	1	45	-2.0	-132.04	376.47	9.93	-122.11
C#CCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203766	1	43	-2.0	-122.30	380.56	8.60	-113.70
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203767	1	44	-2.0	-113.87	367.33	9.53	-104.34
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203768	1	51	-2.0	-124.46	427.01	10.09	-114.37
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203770	1	48	-2.0	-123.18	409.44	9.50	-113.68
CC#CCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203771	1	46	-2.0	-124.26	402.39	9.56	-114.70
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203772	1	48	-2.0	-131.17	392.85	10.73	-120.44
CC(C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203773	1	47	-2.0	-123.70	386.27	8.50	-115.20
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203774	1	44	-2.0	-113.15	367.76	9.42	-103.73
CCC[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203775	1	47	-2.0	-123.04	396.71	8.93	-114.11
CCN(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(C)C(=O)[O-]	REAL300013203776	1	47	-2.0	-115.75	386.65	10.35	-105.40
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CCCC1	REAL300013203777	1	51	-2.0	-120.82	411.52	11.85	-108.97
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203778	1	50	-2.0	-125.40	406.37	9.14	-116.26
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203779	1	47	-2.0	-114.04	388.21	10.50	-103.54
CC1CCC(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)(C(=O)[O-])C1	REAL300013203780	1	51	-2.0	-131.21	410.31	9.88	-121.33
COCCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203781	1	48	-2.0	-120.85	407.97	7.25	-113.60
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)(C(=O)[O-])C1	REAL300013203782	1	51	-2.0	-132.39	412.70	10.53	-121.86
CC1(C(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C(=O)[O-])CC1	REAL300013203783	1	48	-2.0	-127.04	396.59	9.51	-117.53
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203784	1	46	-2.0	-139.14	387.78	6.69	-132.45
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203785	1	49	-2.0	-135.47	398.12	11.33	-124.14
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC3=C(CC(C4=CC=CC=C4)CC3)S1)C2	REAL300013203786	1	47	-2.0	-130.87	389.06	9.04	-121.83
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013203787	1	51	-2.0	-138.88	408.57	12.17	-126.71
CN(C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1(C(=O)[O-])CC1	REAL300013203788	1	45	-2.0	-127.30	382.76	10.04	-117.26
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CCC1	REAL300013203789	1	48	-2.0	-126.17	395.25	9.15	-117.02
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CCC1	REAL300013203790	1	48	-2.0	-126.17	395.25	9.15	-117.02
CC1CCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1C(=O)[O-]	REAL300013203791	1	48	-2.0	-134.74	398.43	10.40	-124.34
C=CCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203792	1	45	-2.0	-122.46	388.44	8.62	-113.84
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203793	1	51	-2.0	-133.08	406.45	11.67	-121.41
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)COC1	REAL300013203794	1	43	-2.0	-121.81	367.07	5.87	-115.94
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203795	1	50	-2.0	-127.23	396.00	9.19	-118.04
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203796	1	46	-2.0	-137.06	383.09	11.36	-125.70
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203797	1	49	-2.0	-136.03	399.10	10.82	-125.21
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203798	1	50	-2.0	-126.00	403.99	11.83	-114.17
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203799	1	45	-2.0	-125.90	382.23	10.28	-115.62
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203800	1	47	-2.0	-130.77	392.21	11.02	-119.75
CC1(C)CCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1C(=O)[O-]	REAL300013203801	1	51	-2.0	-135.45	409.69	10.97	-124.48
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203802	1	45	-2.0	-127.47	383.02	5.66	-121.81
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203803	1	42	-2.0	-126.01	364.34	4.00	-122.01
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCC2CC21	REAL300013203804	1	49	-2.0	-132.52	397.53	10.10	-122.42
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CCCC1	REAL300013203805	1	51	-2.0	-126.95	411.29	9.76	-117.19
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203806	1	48	-2.0	-125.96	405.13	7.41	-118.55
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203807	1	48	-2.0	-131.96	394.28	9.66	-122.30
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013203808	1	51	-2.0	-130.89	415.93	11.03	-119.86
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203809	1	50	-2.0	-115.78	409.17	11.23	-104.55
CCOCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203810	1	48	-2.0	-126.06	408.84	7.38	-118.68
N#CCCC(NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203811	1	45	-2.0	-116.34	395.15	8.69	-107.65
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013203812	1	44	-2.0	-113.75	367.20	9.47	-104.28
C=CCN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013203813	1	51	-2.0	-109.78	412.05	11.52	-98.26
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CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203816	1	47	-2.0	-121.82	384.28	10.63	-111.19
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])C=C1	REAL300013203817	1	44	-2.0	-125.84	370.39	7.70	-118.14
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203818	1	37	-2.0	-112.37	328.97	5.57	-106.80
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1=CC2=CC=CC=C2C=C1	REAL300013203819	1	47	-2.0	-136.48	396.97	9.68	-126.80
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCSCC1	REAL300013203820	1	42	-2.0	-125.89	342.31	7.13	-118.76
COCC(C)(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203821	1	41	-2.0	-123.31	335.42	4.44	-118.87
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203822	1	44	-2.0	-112.45	357.22	6.51	-105.94
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203823	1	43	-2.0	-118.69	349.00	8.03	-110.66
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203824	1	50	-2.0	-122.71	401.21	11.06	-111.65
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CC1	REAL300013203825	1	38	-2.0	-123.50	320.40	7.73	-115.77
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CN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013203830	1	48	-2.0	-114.01	384.70	7.87	-106.14
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203831	1	48	-2.0	-135.06	390.46	11.62	-123.44
C=CCOCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203832	1	42	-2.0	-121.57	359.17	4.66	-116.91
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203833	1	42	-2.0	-144.75	338.45	5.42	-139.33
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203834	1	41	-2.0	-119.27	337.55	5.72	-113.55
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COC1CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C(C(=O)[O-])C1	REAL300013203838	1	45	-2.0	-139.09	360.19	7.69	-131.40
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CC1CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C(C(=O)[O-])C1	REAL300013203840	1	44	-2.0	-140.79	348.55	9.35	-131.44
CC1=CC(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])=CC=C1F	REAL300013203841	1	44	-2.0	-125.78	377.73	8.12	-117.66
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CC1=CC(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])=CC(C)=C1	REAL300013203843	1	47	-2.0	-128.23	391.99	8.28	-119.95
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])C=C1C	REAL300013203844	1	47	-2.0	-135.37	389.69	8.54	-126.83
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])C=C1O	REAL300013203845	1	46	-2.0	-130.20	391.51	4.47	-125.73
CC(C)C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203846	1	40	-2.0	-119.02	325.73	5.20	-113.82
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O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCCCCC1	REAL300013203853	1	47	-2.0	-133.45	350.27	8.10	-125.35
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203854	1	44	-2.0	-120.00	370.58	7.91	-112.09
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203855	1	44	-2.0	-121.67	372.09	9.99	-111.68
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CC(C)C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203858	1	40	-2.0	-119.02	325.73	5.20	-113.82
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CCC(C)C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203860	1	43	-2.0	-120.45	348.02	6.08	-114.37
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CCCC(C)(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203862	1	43	-2.0	-121.41	338.68	5.91	-115.50
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203863	1	40	-2.0	-116.18	323.32	7.32	-108.86
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CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203866	1	43	-2.0	-118.69	349.00	8.03	-110.66
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203867	1	45	-2.0	-142.21	365.73	10.81	-131.40
CC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)(C(=O)[O-])C1CC1	REAL300013203868	1	41	-2.0	-122.86	329.90	5.98	-116.88
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O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCCCC1	REAL300013203870	1	44	-2.0	-132.31	344.61	7.44	-124.87
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CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203872	1	40	-2.0	-116.18	323.32	7.32	-108.86
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203873	1	40	-2.0	-118.75	334.58	7.74	-111.01
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CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203875	1	43	-2.0	-126.62	345.61	6.28	-120.34
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCCC1	REAL300013203876	1	41	-2.0	-132.29	330.10	6.34	-125.95
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CCC(C)(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203878	1	40	-2.0	-120.49	317.18	5.16	-115.33
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CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203882	1	52	-2.0	-121.56	403.17	8.25	-113.31
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CN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013203886	1	47	-2.0	-131.93	356.02	9.16	-122.77
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COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203890	1	41	-2.0	-119.92	344.46	6.16	-113.76
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CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203898	1	41	-2.0	-133.05	332.83	7.84	-125.21
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CCCCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203902	1	43	-2.0	-118.27	356.04	6.42	-111.85
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CN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013203906	1	47	-2.0	-131.93	356.02	9.16	-122.77
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCCC1	REAL300013203907	1	44	-2.0	-121.83	351.48	8.95	-112.88
COCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203908	1	38	-2.0	-120.57	324.41	3.11	-117.46
CCCCCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203909	1	46	-2.0	-118.38	377.54	7.20	-111.18
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203910	1	43	-2.0	-126.50	344.29	6.40	-120.10
CCC1CCC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)(C(=O)[O-])CC1	REAL300013203911	1	50	-2.0	-133.38	383.68	8.68	-124.70
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCOCC1	REAL300013203912	1	45	-2.0	-119.72	357.86	6.87	-112.85
CN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1(C(=O)[O-])CCCC1	REAL300013203913	1	44	-2.0	-133.23	342.66	8.21	-125.02
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CC1	REAL300013203914	1	41	-2.0	-114.83	332.87	9.08	-105.75
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CC1	REAL300013203915	1	44	-2.0	-119.18	349.95	9.29	-109.89
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1=CC=CC=C1Cl	REAL300013203916	1	41	-2.0	-132.91	362.02	7.82	-125.09
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1=CC=CC=C1F	REAL300013203917	1	41	-2.0	-137.48	355.66	7.44	-130.04
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203918	1	45	-2.0	-125.03	366.21	9.76	-115.27
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])=C1C	REAL300013203919	1	47	-2.0	-133.77	380.30	8.38	-125.39
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])C=C1F	REAL300013203920	1	45	-2.0	-128.11	386.35	6.76	-121.35
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203921	1	40	-2.0	-118.75	334.58	7.74	-111.01
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CC1	REAL300013203922	1	45	-2.0	-116.40	362.49	8.51	-107.89
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCC1	REAL300013203923	1	44	-2.0	-114.25	349.67	8.55	-105.70
CCCN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C(COC)C(=O)[O-]	REAL300013203924	1	47	-2.0	-122.91	377.43	8.53	-114.38
CCCN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C(CC)C(=O)[O-]	REAL300013203925	1	46	-2.0	-124.41	361.98	9.69	-114.72
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203926	1	43	-2.0	-125.93	353.80	6.57	-119.36
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCOCC1	REAL300013203927	1	42	-2.0	-128.08	336.04	4.95	-123.13
C=CCCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203928	1	41	-2.0	-118.14	347.35	6.20	-111.94
O=C([O-])C(CF)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203929	1	34	-2.0	-103.11	294.83	3.87	-99.24
CCC(CC)(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203930	1	43	-2.0	-122.39	333.85	6.05	-116.34
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])C=C1	REAL300013203931	1	45	-2.0	-130.06	380.72	6.65	-123.41
CCC(COC)(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203932	1	44	-2.0	-125.19	352.09	5.35	-119.84
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCS(=O)(=O)CC1	REAL300013203933	1	44	-2.0	-126.60	361.15	3.43	-123.17
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203934	1	41	-2.0	-125.40	345.87	6.84	-118.56
COCCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203935	1	41	-2.0	-116.08	346.71	3.94	-112.14
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203936	1	37	-2.0	-113.42	323.66	5.40	-108.02
CCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013203937	1	47	-2.0	-136.61	376.06	8.98	-127.63
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])C1	REAL300013203938	1	51	-2.0	-123.89	404.17	6.32	-117.57
O=C([O-])C(CCF)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203939	1	37	-2.0	-112.85	319.63	5.02	-107.83
COC1(CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])CCC1	REAL300013203940	1	48	-2.0	-129.81	385.06	6.61	-123.20
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC3=C(CCCCC3)S2)=C1	REAL300013203941	1	48	-2.0	-122.71	391.07	8.72	-113.99
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCOCC1	REAL300013203942	1	45	-2.0	-119.72	357.86	6.87	-112.85
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCCCC1	REAL300013203943	1	47	-2.0	-121.23	366.82	9.25	-111.98
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(CCCCC3)S2)(C(=O)[O-])CC1	REAL300013203944	1	47	-2.0	-133.14	358.39	7.82	-125.32
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])=C1	REAL300013203945	1	45	-2.0	-134.53	380.72	6.64	-127.89
CC(CCF)(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203946	1	40	-2.0	-114.91	323.77	5.30	-109.61
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC3=C(CCCCC3)S1)OC=C2	REAL300013203947	1	42	-2.0	-121.18	348.79	7.88	-113.30
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])=C1	REAL300013203948	1	45	-2.0	-134.54	380.50	6.71	-127.83
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013203949	1	47	-2.0	-135.01	382.45	9.30	-125.71
COC1=CC=CC(CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])=C1	REAL300013203950	1	48	-2.0	-129.18	402.74	7.66	-121.52
CC1(C)CCCC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)(C(=O)[O-])C1	REAL300013203951	1	50	-2.0	-134.88	372.54	8.32	-126.56
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203952	1	39	-2.0	-129.55	320.00	7.40	-122.15
COC1CN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C(C)(C(=O)[O-])C1	REAL300013203953	1	45	-2.0	-125.33	363.96	6.36	-118.97
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203954	1	48	-2.0	-127.20	382.26	6.79	-120.41
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203955	1	43	-2.0	-126.50	344.29	6.40	-120.10
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203956	1	38	-2.0	-115.26	341.47	5.95	-109.31
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203957	1	41	-2.0	-117.66	346.06	6.09	-111.57
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203958	1	42	-2.0	-129.34	333.54	8.14	-121.20
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203959	1	39	-2.0	-132.83	327.70	3.62	-129.21
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203960	1	47	-2.0	-119.38	381.01	8.06	-111.32
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203961	1	38	-2.0	-115.59	326.62	7.00	-108.59
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203962	1	38	-2.0	-120.17	320.11	6.94	-113.23
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013203963	1	39	-2.0	-134.14	328.94	7.73	-126.41
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203964	1	48	-2.0	-117.61	380.30	6.36	-111.25
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203965	1	43	-2.0	-125.93	353.80	6.57	-119.36
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCOCC1	REAL300013203966	1	45	-2.0	-119.67	363.06	4.92	-114.75
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1=CC=CC=C1	REAL300013203967	1	41	-2.0	-132.91	351.25	7.35	-125.56
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203968	1	41	-2.0	-125.40	345.87	6.84	-118.56
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203969	1	40	-2.0	-117.95	358.03	5.05	-112.90
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203970	1	49	-2.0	-118.67	394.27	7.72	-110.95
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203971	1	47	-2.0	-130.02	403.10	8.73	-121.29
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203972	1	45	-2.0	-125.08	369.24	5.24	-119.84
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203973	1	38	-2.0	-117.11	319.79	1.98	-115.13
CSCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203974	1	38	-2.0	-118.23	336.51	5.29	-112.94
COC[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203975	1	38	-2.0	-120.57	324.41	3.11	-117.46
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203976	1	44	-2.0	-122.40	379.69	8.42	-113.98
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203977	1	46	-2.0	-120.46	369.97	6.86	-113.60
C=CCCCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203978	1	44	-2.0	-118.15	368.85	6.99	-111.16
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203979	1	44	-2.0	-121.97	379.87	8.36	-113.61
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1=CC=CC2=CC=CC=C21	REAL300013203980	1	47	-2.0	-126.44	391.50	9.76	-116.68
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203981	1	39	-2.0	-132.20	327.77	8.73	-123.47
CC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013203982	1	44	-2.0	-127.74	357.29	7.66	-120.08
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203983	1	38	-2.0	-126.07	314.41	6.60	-119.47
CCCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203984	1	40	-2.0	-118.08	333.71	5.66	-112.42
CC(C)[C@@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203985	1	40	-2.0	-126.06	332.13	5.84	-120.22
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203986	1	42	-2.0	-140.87	337.82	8.95	-131.92
CCN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C(C)(C)C(=O)[O-]	REAL300013203987	1	43	-2.0	-122.87	338.83	7.85	-115.02
CCCN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C(C)C(=O)[O-]	REAL300013203988	1	43	-2.0	-123.16	347.27	8.82	-114.34
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203989	1	40	-2.0	-117.69	334.30	5.70	-111.99
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203990	1	46	-2.0	-124.85	372.97	8.86	-115.99
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203991	1	42	-2.0	-134.39	340.44	8.22	-126.17
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1=CC=CC=C1	REAL300013203992	1	41	-2.0	-125.60	349.22	6.94	-118.66
CN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C(C)(C)C(=O)[O-]	REAL300013203993	1	40	-2.0	-121.63	320.32	6.99	-114.64
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203994	1	38	-2.0	-126.48	314.37	6.61	-119.87
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203997	1	46	-2.0	-120.46	369.97	6.86	-113.60
C#CCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203998	1	36	-2.0	-117.43	319.31	5.29	-112.14
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013203999	1	47	-2.0	-126.38	385.49	11.67	-114.71
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204000	1	44	-2.0	-119.26	364.61	6.78	-112.48
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204001	1	43	-2.0	-116.76	366.59	6.11	-110.65
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204002	1	47	-2.0	-113.40	378.00	7.37	-106.03
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204003	1	46	-2.0	-111.92	363.44	8.50	-103.42
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1=CC=CC=N1	REAL300013204004	1	40	-2.0	-135.86	347.64	5.77	-130.09
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204005	1	47	-2.0	-136.03	370.30	9.65	-126.38
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204006	1	47	-2.0	-117.11	376.92	9.95	-107.16
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204009	1	43	-2.0	-116.76	366.59	6.11	-110.65
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1=CC=CN=C1	REAL300013204010	1	40	-2.0	-129.21	346.16	5.56	-123.65
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204011	1	45	-2.0	-133.88	361.71	8.07	-125.81
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204012	0	45	-2.0	-129.71	367.61	10.82	-118.89
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC3=C(CCCCC3)S2)[C@H]1C(=O)[O-]	REAL300013204013	0	48	-2.0	-123.80	378.29	10.33	-113.47
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204014	1	46	-2.0	-124.05	391.38	7.30	-116.75
C=CCCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204015	1	41	-2.0	-118.14	347.35	6.20	-111.94
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204016	1	40	-2.0	-118.91	357.75	4.95	-113.96
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204017	1	41	-2.0	-111.76	376.67	6.72	-105.04
CC#CCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204018	1	39	-2.0	-119.40	341.13	6.24	-113.16
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1=O	REAL300013204019	1	42	-2.0	-120.38	342.25	6.26	-114.12
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204020	1	41	-2.0	-125.89	330.71	7.39	-118.50
CC(C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204021	1	40	-2.0	-124.44	329.27	5.82	-118.62
O=C([O-])[C@@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1=CC=CC=C1	REAL300013204022	1	41	-2.0	-125.97	349.17	6.96	-119.01
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204023	1	44	-2.0	-123.00	358.65	6.19	-116.81
CCC[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204024	1	40	-2.0	-118.13	334.54	5.64	-112.49
CCN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C(C)C(=O)[O-]	REAL300013204025	1	40	-2.0	-111.58	324.57	7.05	-104.53
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCCC1	REAL300013204026	1	44	-2.0	-121.83	351.48	8.95	-112.88
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204027	1	43	-2.0	-126.62	345.61	6.28	-120.34
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204028	1	40	-2.0	-115.31	328.18	7.60	-107.71
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CC(CO)C1	REAL300013204029	1	42	-2.0	-126.73	346.45	2.77	-123.96
CCN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013204030	1	50	-2.0	-125.05	396.88	11.04	-114.01
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204031	1	50	-2.0	-124.83	397.04	6.14	-118.69
CC1CCC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)(C(=O)[O-])C1	REAL300013204032	1	44	-2.0	-133.34	351.16	6.96	-126.38
CC1(C)CCCC1(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204033	1	47	-2.0	-135.75	359.06	7.59	-128.16
COCCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204034	1	41	-2.0	-116.08	346.71	3.94	-112.14
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)(C(=O)[O-])C1	REAL300013204035	1	44	-2.0	-133.76	352.67	7.64	-126.12
CC1CCC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)(C(=O)[O-])C2=CC=CC=C21	REAL300013204036	1	51	-2.0	-134.54	398.07	9.23	-125.31
CC1(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])CC1	REAL300013204037	1	41	-2.0	-128.84	336.55	6.61	-122.23
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204038	1	50	-2.0	-124.36	397.08	6.08	-118.28
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204039	1	39	-2.0	-133.22	324.33	3.39	-129.83
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204040	1	49	-2.0	-133.45	395.55	11.23	-122.22
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCOC1	REAL300013204041	1	42	-2.0	-116.40	340.21	3.88	-112.52
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204042	1	42	-2.0	-137.37	338.06	8.42	-128.95
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1=CNC2=CC=CC=C12	REAL300013204043	1	45	-2.0	-139.57	383.39	7.39	-132.18
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC3=C(CCCCC3)S1)C2	REAL300013204044	1	40	-2.0	-132.85	329.05	6.15	-126.70
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013204045	1	44	-2.0	-140.78	343.97	9.56	-131.22
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204046	1	47	-2.0	-120.60	386.62	8.23	-112.37
CN(C(=O)[N-]C1=NC2=C(CCCCC2)S1)C1(C(=O)[O-])CC1	REAL300013204047	1	38	-2.0	-128.45	322.72	7.14	-121.31
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204048	1	48	-2.0	-127.92	387.78	8.42	-119.50
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCC1	REAL300013204049	1	41	-2.0	-127.40	335.22	6.25	-121.15
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)(C(=O)[O-])CC(C)(C)O1	REAL300013204050	1	54	-2.0	-130.85	408.51	8.02	-122.83
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCCCC1	REAL300013204051	1	47	-2.0	-127.64	370.93	7.69	-119.95
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCC1	REAL300013204052	1	41	-2.0	-127.40	335.22	6.25	-121.15
CC1CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1C(=O)[O-]	REAL300013204053	1	41	-2.0	-134.17	329.44	7.83	-126.34
C=CCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204054	1	38	-2.0	-117.35	325.52	5.34	-112.01
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204055	1	48	-2.0	-122.36	385.04	6.68	-115.68
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204056	1	48	-2.0	-130.70	361.44	8.70	-122.00
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)(C(=O)[O-])CCO1	REAL300013204057	1	48	-2.0	-128.69	365.15	6.23	-122.46
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC3=C(CCCCC3)S1)C2C(=O)[O-]	REAL300013204058	1	48	-2.0	-125.57	383.77	10.24	-115.33
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204059	1	48	-2.0	-127.92	387.78	8.42	-119.50
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204060	1	44	-2.0	-117.09	377.89	7.95	-109.14
COC1CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)(C(=O)[O-])C1	REAL300013204061	1	42	-2.0	-128.52	347.81	4.80	-123.72
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CC(F)(F)C1	REAL300013204062	1	38	-2.0	-125.56	324.65	5.96	-119.60
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(CCCCC3)S2)(C(=O)[O-])C1	REAL300013204063	1	42	-2.0	-134.85	348.50	5.18	-129.67
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1(C(F)(F)F)CC1	REAL300013204064	1	41	-2.0	-123.48	353.00	7.03	-116.45
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204065	1	44	-2.0	-134.98	346.41	8.77	-126.21
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204066	1	37	-2.0	-112.37	328.97	5.57	-106.80
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204067	1	45	-2.0	-125.82	368.90	5.28	-120.54
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)COC1	REAL300013204068	1	36	-2.0	-123.40	307.05	2.96	-120.44
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204069	1	41	-2.0	-125.06	365.48	7.34	-117.72
COCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013204070	1	48	-2.0	-135.87	392.05	7.27	-128.60
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204071	1	43	-2.0	-121.75	332.10	5.78	-115.97
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204072	1	39	-2.0	-138.74	323.01	8.47	-130.27
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204073	1	42	-2.0	-130.24	337.03	7.67	-122.57
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204074	1	47	-2.0	-117.11	376.92	9.95	-107.16
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204075	1	50	-2.0	-128.10	395.42	8.47	-119.63
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204076	1	47	-2.0	-126.75	396.50	9.07	-117.68
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204077	1	47	-2.0	-119.92	394.20	8.72	-111.20
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CC2CCC1C2	REAL300013204078	1	48	-2.0	-123.38	374.84	7.73	-115.65
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204079	1	50	-2.0	-128.47	395.20	8.55	-119.92
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204080	1	50	-2.0	-127.94	394.59	8.49	-119.45
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204081	1	48	-2.0	-130.64	375.84	8.91	-121.73
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204082	1	48	-2.0	-138.83	374.51	9.02	-129.81
COC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])C=C1	REAL300013204083	1	48	-2.0	-119.35	400.97	7.18	-112.17
C=CCSCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204084	1	42	-2.0	-118.75	370.79	6.75	-112.00
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])C=C1	REAL300013204085	1	45	-2.0	-114.58	392.29	8.28	-106.30
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204086	1	43	-2.0	-112.64	340.47	7.99	-104.65
COC1(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])CCC1	REAL300013204087	1	45	-2.0	-119.43	359.98	4.50	-114.93
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCC(C(F)F)CC1	REAL300013204088	1	47	-2.0	-131.47	376.22	8.23	-123.24
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCC2=CC=CC=C2C1	REAL300013204089	1	48	-2.0	-137.02	382.57	9.36	-127.66
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CC(C(F)F)C1	REAL300013204090	1	41	-2.0	-125.89	346.17	6.33	-119.56
O=C([O-])C1CC(NC(=O)NC2=NC3=C(CCCCC3)S2)(C(=O)[O-])C1	REAL300013204091	0	41	-2.0	-130.73	348.35	7.73	-123.00
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)(C(=O)[O-])C1	REAL300013204091	1	40	-3.0	-202.05	343.05	6.08	-195.97
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])C=C1	REAL300013204092	1	50	-2.0	-133.01	411.26	9.35	-123.66
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204093	1	38	-2.0	-120.17	320.11	6.94	-113.23
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204094	1	40	-2.0	-130.87	330.13	7.72	-123.15
CC1(C)CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1C(=O)[O-]	REAL300013204095	1	44	-2.0	-137.33	349.66	8.07	-129.26
CCOC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C(=O)[O-])C=C1	REAL300013204096	1	48	-2.0	-130.24	402.36	7.64	-122.60
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204097	1	48	-2.0	-143.51	373.24	10.44	-133.07
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCC2=CC=CC=C21	REAL300013204098	1	48	-2.0	-121.88	383.93	8.48	-113.40
CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204099	1	48	-2.0	-126.09	391.63	7.90	-118.19
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204100	1	44	-2.0	-125.11	387.48	8.27	-116.84
CC(C)CCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204101	1	46	-2.0	-118.73	373.60	6.94	-111.79
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204102	1	45	-2.0	-134.33	365.32	8.83	-125.50
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204103	1	45	-2.0	-125.82	368.90	5.28	-120.54
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013204104	1	42	-2.0	-122.24	356.69	8.01	-114.23
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204105	1	38	-2.0	-113.70	316.99	1.39	-112.31
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCCC2CC21	REAL300013204106	1	45	-2.0	-136.14	350.32	8.09	-128.05
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCC2CC21	REAL300013204107	1	42	-2.0	-134.03	337.59	7.17	-126.86
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CC2(CCC2)C1	REAL300013204108	1	45	-2.0	-135.54	364.90	7.80	-127.74
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC3=C(CCCCC3)S1)CCCCC2	REAL300013204109	1	51	-2.0	-135.25	392.19	9.78	-125.47
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCCC1	REAL300013204110	1	44	-2.0	-128.99	351.32	6.80	-122.19
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204111	1	41	-2.0	-121.17	342.56	4.12	-117.05
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204112	1	41	-2.0	-125.24	332.18	6.30	-118.94
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204113	1	44	-2.0	-121.67	372.09	9.99	-111.68
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013204114	1	44	-2.0	-130.13	353.89	7.72	-122.41
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204115	1	41	-2.0	-130.40	339.03	8.88	-121.52
O=C([O-])C1N(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CCC1(F)F	REAL300013204116	1	38	-2.0	-129.59	327.39	7.41	-122.18
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204117	1	44	-2.0	-117.09	377.89	7.95	-109.14
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204118	1	41	-2.0	-124.66	364.12	7.29	-117.37
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204119	1	41	-2.0	-125.70	345.27	8.05	-117.65
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CC2(CC(F)(F)C2)C1	REAL300013204120	1	45	-2.0	-132.32	378.04	7.98	-124.34
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204121	1	41	-2.0	-124.66	364.12	7.29	-117.37
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204122	1	45	-2.0	-130.75	351.91	8.24	-122.51
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1=CC=C(O)C=C1	REAL300013204123	1	42	-2.0	-129.92	362.27	4.49	-125.43
COCCCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204124	1	44	-2.0	-118.95	367.38	4.73	-114.22
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204125	1	43	-2.0	-111.44	347.08	7.93	-103.51
CCOCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204126	1	41	-2.0	-121.20	346.75	4.09	-117.11
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204127	1	46	-2.0	-119.77	363.89	7.29	-112.48
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CCCCO1	REAL300013204128	1	45	-2.0	-124.43	363.54	5.01	-119.42
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CC2=CC=CC=C2C1	REAL300013204129	1	45	-2.0	-136.81	369.21	8.49	-128.32
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)[C@@H]1C(=O)[O-]	REAL300013204130	1	42	-2.0	-135.70	339.07	6.99	-128.71
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204131	1	44	-2.0	-116.99	358.39	8.46	-108.53
N#CCCC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204132	1	38	-2.0	-112.09	333.06	5.39	-106.70
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204133	1	47	-2.0	-122.62	395.99	8.26	-114.36
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204134	1	41	-2.0	-121.32	353.75	8.13	-113.19
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204135	1	52	-2.0	-133.12	388.16	8.74	-124.38
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013204136	1	43	-2.0	-122.28	385.02	6.97	-115.31
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013204137	1	45	-2.0	-135.58	370.81	7.23	-128.35
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300013204138	1	47	-2.0	-130.76	408.88	9.88	-120.88
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013204139	1	40	-2.0	-116.13	366.63	7.78	-108.35
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300013204140	1	45	-2.0	-123.05	378.72	8.90	-114.15
COCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204141	1	44	-2.0	-127.80	373.91	6.66	-121.14
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204142	1	47	-2.0	-116.02	395.71	8.68	-107.34
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013204143	1	46	-2.0	-119.31	387.48	10.22	-109.09
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013204144	1	41	-2.0	-121.23	360.15	9.63	-111.60
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013204145	1	42	-2.0	-123.89	360.50	5.64	-118.25
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013204146	1	50	-2.0	-127.56	405.26	9.26	-118.30
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013204147	1	45	-2.0	-127.26	398.48	6.35	-120.91
C=CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204148	1	45	-2.0	-125.58	397.66	6.84	-118.74
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013204149	1	45	-2.0	-142.00	378.21	7.33	-134.67
C=CC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204150	1	44	-2.0	-123.55	376.04	7.90	-115.65
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013204151	1	48	-2.0	-126.19	395.45	6.92	-119.27
COC1CCN(C(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3)S2)C(C(=O)[O-])C1	REAL300013204152	1	48	-2.0	-138.76	398.02	9.79	-128.97
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300013204153	1	48	-2.0	-122.47	395.42	6.94	-115.53
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(C)CC2C(=O)[O-])=N1	REAL300013204154	1	47	-2.0	-138.26	378.18	10.90	-127.36
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013204155	1	43	-2.0	-123.45	364.22	7.38	-116.07
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013204156	1	44	-2.0	-137.17	367.30	10.63	-126.54
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013204157	1	42	-2.0	-129.45	367.54	10.63	-118.82
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013204158	1	47	-2.0	-130.09	384.37	9.34	-120.75
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013204159	1	41	-2.0	-130.81	352.14	9.06	-121.75
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013204160	1	44	-2.0	-129.47	369.88	8.25	-121.22
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300013204161	1	50	-2.0	-130.55	390.03	10.01	-120.54
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013204162	1	47	-2.0	-124.50	409.90	10.06	-114.44
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013204163	1	47	-2.0	-122.86	410.57	12.17	-110.69
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013204164	1	34	-2.0	-105.69	308.91	5.22	-100.47
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013204165	1	44	-2.0	-130.48	387.46	9.20	-121.28
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013204166	1	44	-2.0	-130.50	390.76	9.33	-121.17
CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204167	1	40	-2.0	-121.93	351.53	7.05	-114.88
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013204168	1	43	-2.0	-123.45	364.22	7.38	-116.07
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013204169	1	37	-2.0	-118.58	329.76	8.18	-110.40
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013204170	1	38	-2.0	-125.44	340.65	2.88	-122.56
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013204171	1	38	-2.0	-125.44	340.65	2.88	-122.56
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013204172	1	47	-2.0	-124.50	409.90	10.06	-114.44
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013204173	1	37	-2.0	-106.87	329.70	6.04	-100.83
CCC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204174	1	46	-2.0	-123.54	383.73	8.22	-115.32
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013204175	1	37	-2.0	-118.58	329.76	8.18	-110.40
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013204176	1	44	-2.0	-137.17	367.30	10.63	-126.54
CCCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204177	1	46	-2.0	-125.73	377.17	8.13	-117.60
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013204178	1	43	-2.0	-120.66	361.80	9.50	-111.16
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013204179	1	41	-2.0	-121.23	360.15	9.63	-111.60
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204180	1	41	-2.0	-119.91	364.39	9.72	-110.19
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013204181	1	46	-2.0	-119.31	387.48	10.22	-109.09
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013204182	1	40	-2.0	-103.57	342.27	6.44	-97.13
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013204183	1	44	-2.0	-127.53	368.39	8.21	-119.32
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300013204184	1	41	-2.0	-127.19	378.69	8.24	-118.95
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013204185	1	47	-2.0	-130.09	384.37	9.34	-120.75
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013204186	1	43	-2.0	-120.66	361.80	9.50	-111.16
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204187	1	43	-2.0	-119.78	373.07	9.92	-109.86
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204188	1	40	-2.0	-119.63	351.58	9.16	-110.47
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013204189	1	38	-2.0	-125.46	340.65	2.88	-122.58
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204190	1	46	-2.0	-124.22	384.43	8.13	-116.09
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013204191	1	37	-2.0	-106.87	329.70	6.04	-100.83
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013204192	1	44	-2.0	-129.47	369.88	8.25	-121.22
CCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204193	1	43	-2.0	-124.77	355.67	7.38	-117.39
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013204194	1	47	-2.0	-132.27	395.78	9.88	-122.39
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013204195	1	37	-2.0	-106.87	329.70	6.04	-100.83
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204196	1	40	-2.0	-119.63	351.58	9.16	-110.47
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013204197	1	42	-2.0	-132.86	367.53	5.52	-127.34
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013204198	1	37	-2.0	-107.02	330.01	5.99	-101.03
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013204199	1	38	-2.0	-128.96	335.82	7.19	-121.77
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013204200	1	42	-2.0	-130.80	358.62	8.21	-122.59
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013204201	1	50	-2.0	-129.33	395.80	11.07	-118.26
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013204202	1	41	-2.0	-123.70	358.43	7.54	-116.16
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013204203	1	47	-2.0	-123.46	397.24	11.11	-112.35
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204204	1	44	-2.0	-120.64	382.95	8.33	-112.31
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013204205	1	41	-2.0	-131.12	352.82	8.79	-122.33
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013204206	1	44	-2.0	-137.27	364.11	10.55	-126.72
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013204207	1	42	-2.0	-129.70	363.38	5.68	-124.02
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013204208	1	40	-2.0	-112.70	344.67	8.40	-104.30
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013204209	1	41	-2.0	-131.22	356.17	8.93	-122.29
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013204210	1	41	-2.0	-129.51	356.00	7.82	-121.69
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204211	1	41	-2.0	-121.58	364.01	7.52	-114.06
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013204212	1	44	-2.0	-130.36	369.20	9.62	-120.74
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013204213	1	47	-2.0	-136.27	382.31	11.40	-124.87
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013204214	1	41	-2.0	-123.70	358.43	7.54	-116.16
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013204215	1	40	-2.0	-113.31	343.60	8.35	-104.96
CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204216	1	46	-2.0	-122.71	394.53	8.59	-114.12
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300013204217	1	45	-2.0	-130.45	402.00	6.39	-124.06
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013204218	1	44	-2.0	-130.21	369.26	9.62	-120.59
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013204219	1	50	-2.0	-129.33	395.80	11.07	-118.26
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013204220	1	47	-2.0	-120.27	387.91	10.73	-109.54
COCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204221	1	41	-2.0	-124.58	362.90	5.29	-119.29
CCCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204222	1	49	-2.0	-122.80	416.02	9.37	-113.43
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013204223	1	46	-2.0	-124.33	380.71	8.18	-116.15
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013204224	1	48	-2.0	-120.44	396.35	9.06	-111.38
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)=N1	REAL300013204225	1	47	-2.0	-131.17	379.07	9.99	-121.18
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)=N1	REAL300013204226	1	44	-2.0	-112.79	369.30	10.85	-101.94
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C1CC1	REAL300013204227	1	47	-2.0	-117.40	389.69	11.19	-106.21
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300013204228	1	44	-2.0	-134.71	395.18	9.41	-125.30
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204229	1	43	-2.0	-119.78	373.07	9.92	-109.86
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C1CC1	REAL300013204230	1	48	-2.0	-115.07	403.37	10.56	-104.51
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)=N1	REAL300013204231	1	47	-2.0	-112.39	388.84	10.37	-102.02
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(COC)C(=O)[O-]	REAL300013204232	1	50	-2.0	-126.92	415.91	10.79	-116.13
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(CC)C(=O)[O-]	REAL300013204233	1	49	-2.0	-125.83	401.85	11.46	-114.37
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013204234	1	34	-2.0	-105.69	308.91	5.22	-100.47
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013204235	1	46	-2.0	-123.70	389.40	8.37	-115.33
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013204236	1	45	-2.0	-125.44	375.79	6.85	-118.59
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204237	1	44	-2.0	-122.36	385.01	8.40	-113.96
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013204238	1	37	-2.0	-106.24	333.31	6.06	-100.18
CCC(CC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204239	1	46	-2.0	-126.82	372.34	8.27	-118.55
CCC(COC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204240	1	47	-2.0	-129.81	390.59	7.57	-122.24
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013204241	1	44	-2.0	-123.57	383.14	8.61	-114.96
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204242	1	44	-2.0	-120.29	385.20	6.11	-114.18
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013204243	1	40	-2.0	-117.14	362.14	7.57	-109.57
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013204244	1	40	-2.0	-116.80	357.29	7.21	-109.59
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013204245	1	48	-2.0	-120.44	396.35	9.06	-111.38
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300013204246	1	50	-2.0	-121.88	405.31	11.44	-110.44
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)=N1	REAL300013204247	1	50	-2.0	-130.97	394.85	9.59	-121.38
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013204248	1	43	-2.0	-119.29	362.25	7.52	-111.77
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300013204249	1	45	-2.0	-126.02	387.25	10.06	-115.96
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013204250	1	40	-2.0	-112.79	347.49	8.42	-104.37
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013204251	1	42	-2.0	-135.28	361.83	9.78	-125.50
COC1CN(C(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3)S2)C(C)(C(=O)[O-])C1	REAL300013204252	1	48	-2.0	-129.48	402.45	8.58	-120.90
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013204253	1	46	-2.0	-124.33	380.71	8.18	-116.15
C=C(Cl)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204254	1	41	-2.0	-119.65	380.79	8.10	-111.55
C=C(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204255	1	44	-2.0	-122.08	385.38	8.24	-113.84
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013204256	1	45	-2.0	-134.86	372.02	10.39	-124.47
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013204257	1	42	-2.0	-129.95	364.15	5.41	-124.54
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013204258	1	41	-2.0	-120.08	365.10	9.22	-110.86
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013204259	1	41	-2.0	-125.19	358.59	9.16	-116.03
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3)S2)C1	REAL300013204260	1	42	-2.0	-131.93	365.35	9.51	-122.42
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013204261	1	46	-2.0	-123.70	389.40	8.37	-115.33
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013204262	1	48	-2.0	-126.19	395.45	6.92	-119.27
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013204263	1	44	-2.0	-130.50	390.76	9.33	-121.17
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013204264	1	44	-2.0	-123.57	383.14	8.61	-114.96
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])=N1	REAL300013204265	1	52	-2.0	-123.25	433.59	9.88	-113.37
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300013204266	1	48	-2.0	-130.25	411.03	7.55	-122.70
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300013204267	1	41	-2.0	-121.34	361.60	4.28	-117.06
CSCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204268	1	41	-2.0	-122.48	375.00	7.46	-115.02
COC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204269	1	41	-2.0	-124.59	362.90	5.29	-119.30
CC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204270	1	40	-2.0	-121.97	351.53	7.06	-114.91
CCC(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204271	1	49	-2.0	-124.80	407.69	9.07	-115.73
C=CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204272	1	47	-2.0	-122.40	406.51	9.18	-113.22
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013204273	1	42	-2.0	-129.45	367.54	10.63	-118.82
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013204274	1	47	-2.0	-132.27	395.78	9.88	-122.39
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013204275	1	41	-2.0	-131.12	352.82	8.79	-122.33
CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204276	1	43	-2.0	-122.34	372.20	7.83	-114.51
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300013204277	1	43	-2.0	-122.67	366.65	7.66	-115.01
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013204278	1	45	-2.0	-137.92	374.27	10.74	-127.18
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(C)(C)C(=O)[O-]	REAL300013204279	1	46	-2.0	-127.38	377.30	10.08	-117.30
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(C)C(=O)[O-]	REAL300013204280	1	46	-2.0	-115.64	384.64	10.11	-105.53
CCC[C@@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204281	1	43	-2.0	-122.30	372.79	7.88	-114.42
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013204282	1	45	-2.0	-131.99	380.20	10.12	-121.87
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013204283	1	44	-2.0	-130.48	387.46	9.20	-121.28
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300013204284	1	43	-2.0	-126.28	358.81	9.21	-117.07
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013204285	1	41	-2.0	-131.22	356.17	8.93	-122.29
CCC(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204288	1	49	-2.0	-124.80	407.69	9.07	-115.73
C#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204289	1	39	-2.0	-121.61	356.97	7.48	-114.13
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013204290	1	40	-2.0	-113.31	343.60	8.35	-104.96
CC(C)=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204291	1	47	-2.0	-123.80	404.07	8.94	-114.86
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013204292	1	46	-2.0	-121.10	404.84	8.36	-112.74
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])=N1	REAL300013204293	1	50	-2.0	-116.83	415.98	9.44	-107.39
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N1	REAL300013204294	1	49	-2.0	-115.51	401.92	10.69	-104.82
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1	REAL300013204295	1	43	-2.0	-133.65	387.39	7.67	-125.98
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204296	1	50	-2.0	-133.10	406.68	11.53	-121.57
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013204298	1	46	-2.0	-121.10	404.84	8.36	-112.74
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300013204299	1	43	-2.0	-126.78	385.91	7.46	-119.32
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204300	1	48	-2.0	-130.98	398.55	9.87	-121.11
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204301	1	44	-2.0	-122.36	385.01	8.40	-113.96
CC#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204302	1	42	-2.0	-123.75	379.63	8.41	-115.34
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=N1	REAL300013204303	1	45	-2.0	-125.50	384.09	8.64	-116.86
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013204304	1	44	-2.0	-130.15	369.20	9.61	-120.54
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013204305	1	43	-2.0	-122.39	365.71	7.60	-114.79
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013204306	1	44	-2.0	-130.72	387.66	9.14	-121.58
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300013204307	1	47	-2.0	-127.90	397.13	8.41	-119.49
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013204308	1	40	-2.0	-112.79	347.49	8.42	-104.37
CCC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204309	1	43	-2.0	-122.51	373.03	7.82	-114.69
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(C)C(=O)[O-]	REAL300013204310	1	43	-2.0	-115.23	363.14	9.24	-105.99
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013204311	1	47	-2.0	-120.27	387.91	10.73	-109.54
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204312	1	46	-2.0	-124.22	384.43	8.13	-116.09
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204313	1	43	-2.0	-114.23	364.07	9.34	-104.89
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013204314	1	45	-2.0	-131.99	384.90	4.99	-127.00
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)=N1	REAL300013204315	1	47	-2.0	-130.51	390.91	8.87	-121.64
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300013204316	1	50	-2.0	-133.37	398.84	9.50	-123.87
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204317	1	44	-2.0	-120.29	385.20	6.11	-114.18
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013204318	1	47	-2.0	-131.33	392.41	9.53	-121.80
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013204319	1	44	-2.0	-126.54	375.13	8.41	-118.13
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013204320	1	42	-2.0	-138.19	364.18	5.57	-132.62
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013204321	1	45	-2.0	-120.77	378.69	6.06	-114.71
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013204322	1	45	-2.0	-134.82	374.27	10.18	-124.64
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013204323	1	43	-2.0	-130.35	369.30	7.98	-122.37
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC(C)CCC2C(=O)[O-])=N1	REAL300013204324	1	47	-2.0	-138.04	380.37	11.34	-126.70
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300013204325	1	41	-2.0	-126.27	362.47	9.05	-117.22
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013204326	1	51	-2.0	-125.56	426.71	10.34	-115.22
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013204327	1	44	-2.0	-125.41	375.51	8.07	-117.34
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013204328	1	50	-2.0	-127.56	405.26	9.26	-118.30
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013204329	1	44	-2.0	-125.41	375.51	8.07	-117.34
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300013204330	1	44	-2.0	-133.83	378.16	9.40	-124.43
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204331	1	41	-2.0	-121.58	364.01	7.52	-114.06
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300013204332	1	51	-2.0	-134.08	409.46	11.24	-122.84
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013204333	1	51	-2.0	-125.56	426.71	10.34	-115.22
COC1CC(NC(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300013204334	1	45	-2.0	-126.13	387.56	6.71	-119.42
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013204335	1	41	-2.0	-122.74	364.40	7.86	-114.88
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3)S2)(C(=O)[O-])C1	REAL300013204336	1	45	-2.0	-131.91	388.29	7.10	-124.81
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204337	1	47	-2.0	-132.19	386.17	10.67	-121.52
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013204338	1	40	-2.0	-116.13	366.63	7.78	-108.35
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013204339	1	48	-2.0	-123.24	405.10	7.13	-116.11
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013204340	1	39	-2.0	-120.85	346.80	4.87	-115.98
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300013204341	1	46	-2.0	-126.35	372.40	8.06	-118.29
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013204342	1	42	-2.0	-136.14	362.76	10.36	-125.78
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013204343	1	45	-2.0	-135.11	378.60	9.97	-125.14
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300013204344	1	51	-2.0	-128.74	414.24	9.89	-118.85
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300013204345	1	51	-2.0	-131.00	414.44	11.07	-119.93
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300013204346	1	51	-2.0	-135.58	413.07	11.02	-124.56
C=CCSCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204347	1	45	-2.0	-123.16	409.28	8.91	-114.25
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204348	1	46	-2.0	-125.20	380.39	10.71	-114.49
COC1(C(NC(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3)S2)C(=O)[O-])CCC1	REAL300013204349	1	48	-2.0	-124.05	399.13	6.72	-117.33
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300013204350	1	44	-2.0	-131.22	384.63	8.55	-122.67
CC1=C(CC2=CC=CC=C2)SC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013204351	0	44	-2.0	-129.25	384.78	9.50	-119.75
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013204351	1	43	-3.0	-207.87	384.88	8.42	-199.45
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013204352	1	41	-2.0	-125.19	358.59	9.16	-116.03
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013204353	1	43	-2.0	-130.15	368.62	9.91	-120.24
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013204354	1	47	-2.0	-133.66	387.81	10.14	-123.52
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300013204355	1	51	-2.0	-140.49	412.99	12.34	-128.15
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N1	REAL300013204356	1	49	-2.0	-122.95	411.26	9.13	-113.82
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300013204357	1	48	-2.0	-132.49	405.07	10.74	-121.75
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013204358	1	48	-2.0	-123.24	405.10	7.13	-116.11
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3)S2)C1	REAL300013204359	1	45	-2.0	-127.05	398.51	10.35	-116.70
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300013204360	1	41	-2.0	-118.03	357.44	3.69	-114.34
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013204361	1	38	-2.0	-125.46	340.65	2.88	-122.58
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300013204362	1	48	-2.0	-133.11	386.89	9.85	-123.26
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013204363	1	45	-2.0	-131.70	374.02	8.95	-122.75
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300013204364	1	48	-2.0	-132.62	404.65	9.71	-122.91
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013204365	1	47	-2.0	-126.35	391.06	8.70	-117.65
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204366	1	44	-2.0	-125.27	381.54	6.29	-118.98
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300013204367	1	44	-2.0	-131.05	370.68	8.54	-122.51
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013204368	1	47	-2.0	-122.86	410.57	12.17	-110.69
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013204369	1	47	-2.0	-130.14	392.35	9.91	-120.23
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300013204370	1	44	-2.0	-127.78	378.85	10.71	-117.07
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013204371	1	41	-2.0	-127.56	367.14	9.32	-118.24
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300013204372	1	44	-2.0	-123.59	385.03	9.95	-113.64
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013204373	1	48	-2.0	-135.43	394.57	10.36	-125.07
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013204374	1	45	-2.0	-127.28	398.48	6.35	-120.93
COCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204375	1	47	-2.0	-123.22	405.87	6.91	-116.31
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013204376	1	46	-2.0	-115.27	385.57	10.11	-105.16
CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013204377	1	44	-2.0	-125.40	385.24	6.26	-119.14
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300013204378	1	49	-2.0	-124.20	402.38	9.47	-114.73
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300013204379	1	48	-2.0	-129.15	402.02	7.19	-121.96
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=N1	REAL300013204380	1	45	-2.0	-133.06	375.50	8.76	-124.30
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013204381	1	41	-2.0	-115.82	372.39	7.55	-108.27
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1	REAL300013204382	1	44	-2.0	-122.50	392.24	10.30	-112.20
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013204383	1	40	-2.0	-112.70	344.67	8.40	-104.30
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3)S2)C1	REAL300013204384	1	48	-2.0	-133.10	410.59	9.14	-123.96
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])=N2	REAL300013204385	1	56	-2.0	-126.86	439.12	9.94	-116.92
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1)=N2	REAL300013204386	1	50	-2.0	-131.85	416.13	9.57	-122.28
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2	REAL300013204387	1	43	-2.0	-117.11	374.71	7.43	-109.68
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCSCC1)=N2	REAL300013204388	1	48	-2.0	-124.30	386.00	8.60	-115.70
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(COC)C(=O)[O-])=N2	REAL300013204389	1	47	-2.0	-128.84	381.17	6.36	-122.48
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(COCC)C(=O)[O-])=N2	REAL300013204390	1	50	-2.0	-116.62	403.46	8.48	-108.14
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N2	REAL300013204391	1	49	-2.0	-120.04	394.74	9.92	-110.12
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013204392	1	44	-2.0	-122.03	364.14	9.20	-112.83
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N2	REAL300013204393	1	46	-2.0	-114.66	398.46	10.00	-104.66
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOC1)=N2	REAL300013204394	1	45	-2.0	-125.02	364.45	5.21	-119.81
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)=N2	REAL300013204395	1	53	-2.0	-128.23	411.85	9.03	-119.20
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(O)C=C1)=N2	REAL300013204396	1	48	-2.0	-128.24	405.75	6.04	-122.20
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(COC1CCC1)C(=O)[O-])=N2	REAL300013204397	1	54	-2.0	-118.74	431.05	9.83	-108.91
C=CCOCC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204398	1	48	-2.0	-126.54	404.91	6.53	-120.01
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)C1C(=O)[O-])=N2	REAL300013204399	1	48	-2.0	-143.29	382.25	6.83	-136.46
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204400	1	47	-2.0	-122.36	388.80	7.91	-114.45
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)=N2	REAL300013204401	1	51	-2.0	-124.16	405.89	6.76	-117.40
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(OC)CC1C(=O)[O-])=N2	REAL300013204402	1	51	-2.0	-137.74	403.86	9.17	-128.57
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCOC1)=N2	REAL300013204403	1	51	-2.0	-123.46	402.68	6.64	-116.82
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)CC1C(=O)[O-])=N2	REAL300013204404	1	50	-2.0	-139.71	385.47	10.60	-129.11
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N2	REAL300013204405	1	46	-2.0	-123.88	369.90	7.07	-116.81
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013204406	1	47	-2.0	-138.50	371.24	10.20	-128.30
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013204407	1	45	-2.0	-130.77	371.51	10.19	-120.58
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013204408	1	50	-2.0	-131.13	388.32	8.91	-122.22
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C(=O)[O-])=N2	REAL300013204409	1	44	-2.0	-131.80	359.40	8.75	-123.05
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013204410	1	47	-2.0	-130.56	373.82	7.82	-122.74
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCCC1)=N2	REAL300013204411	1	53	-2.0	-131.76	393.96	9.58	-122.18
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])=N2	REAL300013204412	1	50	-2.0	-125.23	416.33	9.78	-115.45
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)=N2	REAL300013204413	1	50	-2.0	-123.50	417.83	11.86	-111.64
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013204414	1	47	-2.0	-131.50	394.72	8.90	-122.60
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013204415	1	47	-2.0	-131.49	394.95	8.82	-122.67
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC)C(=O)[O-])=N2	REAL300013204416	1	43	-2.0	-122.69	357.95	6.77	-115.92
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N2	REAL300013204417	1	46	-2.0	-123.88	369.90	7.07	-116.81
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)CC(=O)[O-])=N2	REAL300013204418	1	40	-2.0	-119.37	337.02	7.87	-111.50
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013204419	1	41	-2.0	-126.31	347.90	2.58	-123.73
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013204420	1	41	-2.0	-126.31	347.90	2.58	-123.73
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])=N2	REAL300013204421	1	50	-2.0	-125.23	416.33	9.78	-115.45
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)C(=O)[O-])=N2	REAL300013204422	1	40	-2.0	-107.33	336.95	5.73	-101.60
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)CC)=N2	REAL300013204423	1	49	-2.0	-125.81	393.77	7.95	-117.86
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)CC(=O)[O-])=N2	REAL300013204424	1	40	-2.0	-119.37	337.02	7.87	-111.50
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013204425	1	47	-2.0	-138.50	371.24	10.20	-128.30
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(CCC)C(=O)[O-])=N2	REAL300013204426	1	49	-2.0	-126.79	384.42	7.83	-118.96
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N2	REAL300013204427	1	46	-2.0	-121.47	369.07	9.18	-112.29
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013204428	1	44	-2.0	-122.03	364.14	9.20	-112.83
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1	REAL300013204429	1	44	-2.0	-120.55	371.64	9.42	-111.13
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N2	REAL300013204430	1	49	-2.0	-120.04	394.74	9.92	-110.12
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC3=CC=CC=C3CC1C(=O)[O-])=N2	REAL300013204431	1	51	-2.0	-140.68	409.39	12.24	-128.44
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N2	REAL300013204432	1	43	-2.0	-103.95	349.53	6.13	-97.82
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1CC1)=N2	REAL300013204433	1	47	-2.0	-128.73	375.64	7.90	-120.83
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CS1)=N2	REAL300013204434	1	44	-2.0	-128.15	386.54	7.90	-120.25
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013204435	1	50	-2.0	-131.13	388.32	8.91	-122.22
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N2	REAL300013204436	1	46	-2.0	-121.47	369.07	9.18	-112.29
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CCC)CC(=O)[O-])=N2	REAL300013204437	1	46	-2.0	-120.37	380.33	9.61	-110.76
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC)CC(=O)[O-])=N2	REAL300013204438	1	43	-2.0	-120.51	358.83	8.85	-111.66
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013204439	1	41	-2.0	-126.31	347.90	2.58	-123.73
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=N2	REAL300013204440	1	49	-2.0	-125.57	390.03	7.71	-117.86
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)C(=O)[O-])=N2	REAL300013204441	1	40	-2.0	-107.33	336.95	5.73	-101.60
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013204442	1	47	-2.0	-130.56	373.82	7.82	-122.74
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(CC)C(=O)[O-])=N2	REAL300013204443	1	46	-2.0	-125.82	362.92	7.07	-118.75
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)=N2	REAL300013204444	1	51	-2.0	-135.05	414.29	10.09	-124.96
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013204445	1	50	-2.0	-133.39	403.03	9.57	-123.82
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N2	REAL300013204446	1	40	-2.0	-107.31	336.97	5.73	-101.58
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC)CC(=O)[O-])=N2	REAL300013204447	1	43	-2.0	-120.51	358.83	8.85	-111.66
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204448	1	58	-2.0	-127.59	448.91	10.15	-117.44
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013204449	1	45	-2.0	-133.45	370.65	5.37	-128.08
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N2	REAL300013204450	1	40	-2.0	-107.49	337.27	5.69	-101.80
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC1)=N2	REAL300013204451	1	41	-2.0	-130.34	343.10	6.87	-123.47
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCOCC1C(=O)[O-])=N2	REAL300013204452	1	45	-2.0	-131.98	362.58	7.76	-124.22
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCCC1)=N2	REAL300013204453	1	53	-2.0	-130.41	399.71	10.64	-119.77
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013204454	1	44	-2.0	-125.27	368.51	7.29	-117.98
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013204455	1	50	-2.0	-124.26	404.50	10.80	-113.46
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CCOC)CC(=O)[O-])=N2	REAL300013204456	1	47	-2.0	-121.26	390.20	8.03	-113.23
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3=CC=CC=C31)=N2	REAL300013204457	1	51	-2.0	-139.51	409.65	9.87	-129.64
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013204458	1	44	-2.0	-132.28	360.16	8.49	-123.79
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC[C@@H]1C(=O)[O-])=N2	REAL300013204459	1	47	-2.0	-138.63	371.32	10.24	-128.39
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013204460	1	45	-2.0	-131.06	371.37	5.10	-125.96
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N2	REAL300013204461	1	43	-2.0	-113.37	351.42	7.99	-105.38
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013204462	1	44	-2.0	-131.91	359.39	8.77	-123.14
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC1)=N2	REAL300013204463	1	44	-2.0	-130.68	359.92	7.40	-123.28
C=CCC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204464	1	44	-2.0	-122.55	372.10	7.19	-115.36
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(C)C(=O)[O-])=N2	REAL300013204465	1	47	-2.0	-131.31	376.45	9.31	-122.00
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCCCC1C(=O)[O-])=N2	REAL300013204466	1	50	-2.0	-137.49	386.25	10.96	-126.53
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013204467	1	44	-2.0	-125.27	368.51	7.29	-117.98
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N2	REAL300013204468	1	43	-2.0	-114.02	350.99	8.11	-105.91
CCCCC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204469	1	49	-2.0	-123.47	401.78	8.29	-115.18
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC(O)=C1)=N2	REAL300013204470	1	48	-2.0	-131.30	405.95	5.96	-125.34
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@]1(C)C(=O)[O-])=N2	REAL300013204471	1	47	-2.0	-131.25	376.55	9.30	-121.95
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCCC1)=N2	REAL300013204472	1	53	-2.0	-130.41	399.71	10.64	-119.77
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013204473	1	50	-2.0	-121.03	395.17	10.43	-110.60
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(COC)C(=O)[O-])=N2	REAL300013204474	1	44	-2.0	-125.42	370.15	4.98	-120.44
CCCCCC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204475	1	52	-2.0	-123.39	422.45	9.09	-114.30
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2	REAL300013204476	1	49	-2.0	-125.28	387.97	7.87	-117.41
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC(CC)CC1)=N2	REAL300013204477	1	56	-2.0	-131.67	427.42	10.16	-121.51
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)=N2	REAL300013204478	1	51	-2.0	-121.01	403.61	8.76	-112.25
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCC1)=N2	REAL300013204479	1	50	-2.0	-132.17	386.35	9.68	-122.49
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C(C)C(=O)[O-])C1CC1)=N2	REAL300013204480	1	47	-2.0	-115.34	369.86	9.07	-106.27
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C(CC)C(=O)[O-])C1CC1)=N2	REAL300013204481	1	50	-2.0	-117.95	393.36	10.58	-107.37
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1F)=N2	REAL300013204482	1	47	-2.0	-135.76	399.13	8.98	-126.78
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC3=CC=CC=C3C1C(=O)[O-])=N2	REAL300013204483	1	51	-2.0	-130.56	411.94	11.64	-118.92
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CCC)CC(=O)[O-])=N2	REAL300013204484	1	46	-2.0	-120.37	380.33	9.61	-110.76
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C(COC)C(=O)[O-])C1CC1)=N2	REAL300013204485	1	51	-2.0	-115.64	407.31	10.13	-105.51
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C(C)C(=O)[O-])C1CCC1)=N2	REAL300013204486	1	50	-2.0	-112.90	393.37	10.03	-102.87
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CCC)C(COC)C(=O)[O-])=N2	REAL300013204487	1	53	-2.0	-127.80	422.89	10.47	-117.33
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CCC)C(CC)C(=O)[O-])=N2	REAL300013204488	1	52	-2.0	-126.68	409.44	11.14	-115.54
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N2	REAL300013204489	1	49	-2.0	-124.70	397.48	8.04	-116.66
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOCC1)=N2	REAL300013204490	1	48	-2.0	-126.40	379.72	6.42	-119.98
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204491	1	47	-2.0	-123.21	392.26	8.09	-115.12
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CF)C(=O)[O-])=N2	REAL300013204492	1	40	-2.0	-106.76	340.57	5.76	-101.00
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC)(CC)C(=O)[O-])=N2	REAL300013204493	1	49	-2.0	-127.89	379.60	7.96	-119.93
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC)(COC)C(=O)[O-])=N2	REAL300013204494	1	50	-2.0	-130.81	397.84	7.26	-123.55
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013204495	1	47	-2.0	-124.17	389.56	8.32	-115.85
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CCOC)C(=O)[O-])=N2	REAL300013204496	1	47	-2.0	-121.07	392.46	5.80	-115.27
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N2	REAL300013204497	1	43	-2.0	-117.34	370.30	7.05	-110.29
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N2	REAL300013204498	1	43	-2.0	-117.61	365.37	6.88	-110.73
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1(OC)CCC1)C(=O)[O-])=N2	REAL300013204499	1	54	-2.0	-127.93	428.53	8.18	-119.75
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)=N2	REAL300013204500	1	51	-2.0	-121.01	403.61	8.76	-112.25
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCCC1)=N2	REAL300013204501	1	53	-2.0	-122.53	412.56	11.13	-111.40
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)=N2	REAL300013204502	1	53	-2.0	-131.99	402.11	9.29	-122.70
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N2	REAL300013204503	1	46	-2.0	-120.39	369.51	7.21	-113.18
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC3=C(C=CO3)C1C(=O)[O-])=N2	REAL300013204504	1	48	-2.0	-126.67	394.54	9.76	-116.91
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N2	REAL300013204505	1	43	-2.0	-113.35	351.94	8.09	-105.26
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)=N2	REAL300013204506	1	56	-2.0	-133.18	416.21	9.79	-123.39
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])C3)=N2	REAL300013204507	1	45	-2.0	-136.48	365.73	9.33	-127.15
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC(OC)CC1(C)C(=O)[O-])=N2	REAL300013204508	1	51	-2.0	-130.57	409.70	8.27	-122.30
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCOC1)C(=O)[O-])=N2	REAL300013204509	1	54	-2.0	-125.75	425.12	8.29	-117.46
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2	REAL300013204510	1	49	-2.0	-125.28	387.97	7.87	-117.41
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204511	1	44	-2.0	-120.43	388.05	7.79	-112.64
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204512	1	47	-2.0	-122.78	392.66	7.95	-114.83
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C3CCC1(C(=O)[O-])CC3)=N2	REAL300013204513	1	48	-2.0	-136.11	379.28	10.08	-126.03
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])=N2	REAL300013204514	1	45	-2.0	-131.68	372.81	4.99	-126.69
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])=N2	REAL300013204515	1	44	-2.0	-121.01	372.40	8.92	-112.09
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013204516	1	44	-2.0	-126.14	365.86	8.85	-117.29
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(CCC)CC3)S2)C1	REAL300013204517	1	45	-2.0	-133.03	372.64	9.20	-123.83
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOCC1)C(=O)[O-])=N2	REAL300013204518	1	54	-2.0	-122.92	425.79	8.30	-114.62
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N2	REAL300013204519	1	49	-2.0	-124.70	397.48	8.04	-116.66
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)=N2	REAL300013204520	1	51	-2.0	-124.16	405.89	6.76	-117.40
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013204521	1	47	-2.0	-131.49	394.95	8.82	-122.67
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013204522	1	47	-2.0	-124.17	389.56	8.32	-115.85
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CN=CS1)C(=O)[O-])=N2	REAL300013204523	1	46	-2.0	-122.75	403.78	6.91	-115.84
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])=N2	REAL300013204524	1	55	-2.0	-123.91	440.01	9.60	-114.31
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCO1)C(=O)[O-])=N2	REAL300013204525	1	51	-2.0	-131.09	414.73	7.19	-123.90
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N2	REAL300013204526	1	44	-2.0	-127.54	367.42	3.64	-123.90
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CSC)C(=O)[O-])=N2	REAL300013204527	1	44	-2.0	-123.33	382.25	7.16	-116.17
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](COC)C(=O)[O-])=N2	REAL300013204528	1	44	-2.0	-125.31	370.64	4.99	-120.32
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC)C(=O)[O-])=N2	REAL300013204529	1	43	-2.0	-122.67	357.95	6.77	-115.90
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC(C)CC)C(=O)[O-])=N2	REAL300013204530	1	52	-2.0	-125.65	414.95	8.77	-116.88
C=CCCCC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204531	1	50	-2.0	-123.33	414.59	8.85	-114.48
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013204532	1	45	-2.0	-130.77	371.51	10.19	-120.58
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013204533	1	50	-2.0	-133.39	403.03	9.57	-123.82
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013204534	1	44	-2.0	-132.28	360.16	8.49	-123.79
CCCC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204535	1	46	-2.0	-123.25	380.28	7.51	-115.74
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N2	REAL300013204536	1	46	-2.0	-124.37	370.89	7.07	-117.30
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])=N2	REAL300013204537	1	48	-2.0	-139.15	382.19	10.46	-128.69
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC)C(C)(C)C(=O)[O-])=N2	REAL300013204538	1	49	-2.0	-128.60	384.56	9.76	-118.84
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CCC)C(C)C(=O)[O-])=N2	REAL300013204539	1	49	-2.0	-123.49	393.01	10.70	-112.79
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204540	1	46	-2.0	-123.29	380.04	7.57	-115.72
CCCC1CCC2=C(C1)SC([N-]C(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])=N2	REAL300013204541	1	48	-2.0	-132.93	384.14	9.69	-123.24
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013204542	1	47	-2.0	-131.50	394.72	8.90	-122.60
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N2	REAL300013204543	1	46	-2.0	-127.45	366.06	8.89	-118.56
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013204544	1	44	-2.0	-131.91	359.39	8.77	-123.14
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC(C)CC)C(=O)[O-])=N2	REAL300013204547	1	52	-2.0	-125.65	414.95	8.77	-116.88
C#CCC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204548	1	42	-2.0	-122.58	365.05	7.16	-115.42
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N2	REAL300013204549	1	43	-2.0	-114.02	350.99	8.11	-105.91
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])=N2	REAL300013204550	1	50	-2.0	-124.69	411.18	8.63	-116.06
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])=N2	REAL300013204551	1	49	-2.0	-122.14	412.09	8.05	-114.09
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])=N2	REAL300013204552	1	53	-2.0	-117.47	423.23	9.13	-108.34
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N2	REAL300013204553	1	52	-2.0	-116.03	409.14	10.52	-105.51
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=N1)=N2	REAL300013204554	1	46	-2.0	-134.77	391.35	7.23	-127.54
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(CCC)C(=O)[O-])=N2	REAL300013204555	1	53	-2.0	-134.27	413.94	11.22	-123.05
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])=N2	REAL300013204558	1	49	-2.0	-122.14	412.09	8.05	-114.09
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CN=C1)=N2	REAL300013204559	1	46	-2.0	-127.63	389.86	7.03	-120.60
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(COC)C(=O)[O-])=N2	REAL300013204560	1	51	-2.0	-132.22	405.81	9.57	-122.65
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C3=CC=CC(C)=C3CC1C(=O)[O-])=N2	REAL300013204561	0	51	-2.0	-135.60	413.33	12.75	-122.85
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204562	1	47	-2.0	-123.21	392.26	8.09	-115.12
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=NC=CS1)C(=O)[O-])=N2	REAL300013204563	1	46	-2.0	-124.66	403.49	6.82	-117.84
CC#CCC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204564	1	45	-2.0	-124.54	386.88	8.11	-116.43
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC(=O)N(C)CC1C(=O)[O-])=N2	REAL300013204565	1	48	-2.0	-126.79	387.99	8.21	-118.58
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@]1(C)C(=O)[O-])=N2	REAL300013204566	1	47	-2.0	-131.28	376.48	9.30	-121.98
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N2	REAL300013204567	1	46	-2.0	-123.87	369.90	7.07	-116.80
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013204568	1	47	-2.0	-131.57	394.91	8.82	-122.75
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])=N2	REAL300013204569	1	50	-2.0	-129.11	404.38	8.11	-121.00
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N2	REAL300013204570	1	43	-2.0	-113.35	351.94	8.09	-105.26
CCC[C@H](NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204571	1	46	-2.0	-123.18	379.45	7.53	-115.65
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC)C(C)C(=O)[O-])=N2	REAL300013204572	1	46	-2.0	-115.82	370.41	8.94	-106.88
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013204573	1	50	-2.0	-121.03	395.17	10.43	-110.60
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=N2	REAL300013204574	1	49	-2.0	-125.57	390.03	7.71	-117.86
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](CC)C(=O)[O-])=N2	REAL300013204575	1	46	-2.0	-114.75	371.28	9.19	-105.56
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(CO)C1)=N2	REAL300013204576	1	48	-2.0	-133.22	392.19	4.69	-128.53
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N2	REAL300013204577	1	56	-2.0	-129.57	439.23	7.94	-121.63
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC(C)C1)=N2	REAL300013204578	1	50	-2.0	-131.32	393.97	8.45	-122.87
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1(C)C)=N2	REAL300013204579	1	53	-2.0	-134.43	404.33	9.18	-125.25
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CCOC)C(=O)[O-])=N2	REAL300013204580	1	47	-2.0	-121.07	392.46	5.80	-115.27
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C)(C)C1)=N2	REAL300013204581	1	50	-2.0	-132.60	396.35	9.11	-123.49
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1(C)CC1)=N2	REAL300013204582	1	47	-2.0	-127.15	380.25	8.08	-119.07
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N2	REAL300013204583	1	56	-2.0	-129.83	442.57	8.02	-121.81
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])=N2	REAL300013204584	1	45	-2.0	-139.43	371.47	5.27	-134.16
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOC1)=N2	REAL300013204585	1	48	-2.0	-121.85	385.95	5.75	-116.10
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])=N2	REAL300013204586	1	48	-2.0	-135.91	381.54	9.87	-126.04
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])CO3)=N2	REAL300013204587	1	46	-2.0	-131.54	373.23	7.54	-124.00
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC(C)CCC1C(=O)[O-])=N2	REAL300013204588	1	50	-2.0	-139.12	392.22	10.73	-128.39
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CC1)=N2	REAL300013204589	1	44	-2.0	-127.36	366.43	8.62	-118.74
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])=N2	REAL300013204590	1	54	-2.0	-126.53	430.64	9.91	-116.62
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013204591	1	47	-2.0	-126.24	378.92	7.72	-118.52
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)=N2	REAL300013204592	1	53	-2.0	-128.23	411.85	9.03	-119.20
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013204593	1	47	-2.0	-126.24	378.92	7.72	-118.52
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)C1C(=O)[O-])=N2	REAL300013204594	1	47	-2.0	-132.96	373.14	9.31	-123.65
C=CCC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204595	1	44	-2.0	-122.55	372.10	7.19	-115.36
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCCO1)C(=O)[O-])=N2	REAL300013204596	1	54	-2.0	-128.13	431.02	8.48	-119.65
CCCC1CCC2=C(C1)SC([N-]C(=O)N1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)=N2	REAL300013204597	1	54	-2.0	-131.51	407.18	10.65	-120.86
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)=N2	REAL300013204598	1	54	-2.0	-127.55	408.81	7.71	-119.84
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])=N2	REAL300013204599	1	54	-2.0	-126.53	430.64	9.91	-116.62
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(OC)C1)=N2	REAL300013204600	1	48	-2.0	-127.32	391.51	6.27	-121.05
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(F)(F)C1)=N2	REAL300013204601	1	44	-2.0	-123.87	368.34	7.43	-116.44
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)=N2	REAL300013204602	1	48	-2.0	-133.31	391.87	6.67	-126.64
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(CC)C(=O)[O-])=N2	REAL300013204603	1	50	-2.0	-133.30	390.12	10.24	-123.06
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2	REAL300013204604	1	43	-2.0	-117.11	374.71	7.43	-109.68
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])=N2	REAL300013204605	1	51	-2.0	-124.26	412.59	6.76	-117.50
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])COC1)=N2	REAL300013204606	1	42	-2.0	-121.85	350.73	4.44	-117.41
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CS1)C(=O)[O-])=N2	REAL300013204607	1	47	-2.0	-123.58	409.40	8.75	-114.83
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N2	REAL300013204608	1	49	-2.0	-127.17	377.84	7.70	-119.47
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013204609	1	45	-2.0	-137.41	366.73	9.94	-127.47
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013204610	1	48	-2.0	-136.33	382.74	9.40	-126.93
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])=N2	REAL300013204611	1	56	-2.0	-126.86	439.12	9.94	-116.92
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC3CCC1C3)=N2	REAL300013204612	1	54	-2.0	-129.75	421.48	9.58	-120.17
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])=N2	REAL300013204613	1	56	-2.0	-126.94	439.15	9.95	-116.99
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])=N2	REAL300013204614	1	56	-2.0	-126.67	438.27	9.97	-116.70
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC3(CCCC3)CC1C(=O)[O-])=N2	REAL300013204615	1	54	-2.0	-132.08	421.72	10.77	-121.31
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@H]3CCCC[C@H]3[C@@H]1C(=O)[O-])=N2	REAL300013204616	1	54	-2.0	-137.07	418.23	10.49	-126.58
C=CCSCC(NC(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1)C(=O)[O-]	REAL300013204617	1	48	-2.0	-124.02	416.53	8.61	-115.41
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC)C(CC)C(=O)[O-])=N2	REAL300013204618	1	49	-2.0	-126.07	387.89	10.40	-115.67
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1(OC)CCC1)=N2	REAL300013204619	1	51	-2.0	-124.79	406.38	6.42	-118.37
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C(F)F)C1)=N2	REAL300013204620	1	47	-2.0	-129.79	391.76	8.24	-121.55
CCCC1CCC2=C(C1)SC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300013204621	0	47	-2.0	-129.30	392.04	9.20	-120.10
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300013204621	1	46	-3.0	-209.43	388.79	8.00	-201.43
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013204622	1	44	-2.0	-126.14	365.86	8.85	-117.29
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C3C=CC(C3)C1C(=O)[O-])=N2	REAL300013204623	1	46	-2.0	-130.99	375.89	9.59	-121.40
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C)C1C(=O)[O-])=N2	REAL300013204624	1	50	-2.0	-134.95	391.71	9.71	-125.24
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC3(CCC3)CCC1C(=O)[O-])=N2	REAL300013204625	1	54	-2.0	-141.18	415.47	11.79	-129.39
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N2	REAL300013204626	1	52	-2.0	-123.96	419.35	8.81	-115.15
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC3(CCC3)CC1C(=O)[O-])=N2	REAL300013204627	1	51	-2.0	-133.19	409.02	10.31	-122.88
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])=N2	REAL300013204628	1	51	-2.0	-124.26	412.59	6.76	-117.50
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-])=N2	REAL300013204629	1	48	-2.0	-128.06	402.45	9.92	-118.14
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N2	REAL300013204630	1	44	-2.0	-118.44	362.73	3.28	-115.16
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013204631	1	41	-2.0	-126.31	347.90	2.58	-123.73
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC3CC31)=N2	REAL300013204632	1	51	-2.0	-134.09	394.14	9.54	-124.55
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3CC31)=N2	REAL300013204633	1	48	-2.0	-132.62	381.20	8.67	-123.95
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3(CCC3)C1)=N2	REAL300013204634	1	51	-2.0	-132.74	402.54	9.02	-123.72
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCC1)=N2	REAL300013204635	1	50	-2.0	-127.26	394.99	8.27	-118.99
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N2	REAL300013204636	1	47	-2.0	-126.12	388.30	5.99	-120.13
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)=N2	REAL300013204637	1	47	-2.0	-132.17	377.94	8.23	-123.94
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)=N2	REAL300013204638	1	50	-2.0	-123.50	417.83	11.86	-111.64
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC(C)(C)CC1C(=O)[O-])=N2	REAL300013204639	1	50	-2.0	-131.16	399.69	9.61	-121.55
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(F)(F)CC1C(=O)[O-])=N2	REAL300013204640	1	47	-2.0	-128.98	382.71	10.35	-118.63
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(F)(F)C1C(=O)[O-])=N2	REAL300013204641	1	44	-2.0	-128.50	371.06	8.89	-119.61
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])=N2	REAL300013204642	1	47	-2.0	-122.91	408.04	8.66	-114.25
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])=N2	REAL300013204643	1	47	-2.0	-120.30	388.57	9.42	-110.88
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])=N2	REAL300013204644	1	47	-2.0	-122.91	408.04	8.66	-114.25
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013204645	1	51	-2.0	-136.45	398.51	9.92	-126.53
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=C(O)C=C1)=N2	REAL300013204646	1	48	-2.0	-128.32	405.97	5.96	-122.36
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CCCOC)C(=O)[O-])=N2	REAL300013204647	1	50	-2.0	-124.26	413.95	6.58	-117.68
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(CCC)CC2)S1	REAL300013204648	1	49	-2.0	-115.91	392.82	9.80	-106.11
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(COCC)C(=O)[O-])=N2	REAL300013204649	1	47	-2.0	-126.37	392.01	5.96	-120.41
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N2	REAL300013204650	1	52	-2.0	-124.83	408.75	9.17	-115.66
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCO1)=N2	REAL300013204651	1	51	-2.0	-129.56	407.52	6.90	-122.66
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)=N2	REAL300013204652	1	51	-2.0	-135.05	414.29	10.09	-124.96
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])=N2	REAL300013204653	1	48	-2.0	-134.39	382.75	8.46	-125.93
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N2	REAL300013204654	1	44	-2.0	-116.41	378.80	7.27	-109.14
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CO1)=N2	REAL300013204655	1	47	-2.0	-123.25	399.49	10.00	-113.25
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N2	REAL300013204656	1	43	-2.0	-113.37	351.42	7.99	-105.38
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-])=N2	REAL300013204657	1	51	-2.0	-134.33	414.58	8.71	-125.62
O=C([O-])C1CC(NC(=O)NC2=CN(CC3=CC=CC=N3)N=C2)(C(=O)[O-])C1	REAL300013204939	0	41	-2.0	-126.07	357.67	5.64	-120.43
O=C([O-])C1CC(NC(=O)NC2=CN(CC3=CC=CN=C3)N=C2)(C(=O)[O-])C1	REAL300013205266	0	41	-2.0	-124.27	357.84	5.65	-118.62
O=C([O-])CNC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013205314	1	41	-2.0	-100.47	377.54	7.51	-92.96
O=C([O-])CNC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013205315	1	41	-2.0	-100.47	377.54	7.51	-92.96
CC(C)N1C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013205494	0	38	-2.0	-121.19	321.81	4.96	-116.23
O=C([O-])CNC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205534	1	38	-2.0	-106.72	350.80	6.86	-99.86
CCC(NC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013205535	1	44	-2.0	-122.03	392.58	8.71	-113.32
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205536	1	41	-2.0	-118.95	371.65	9.82	-109.13
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205537	1	42	-2.0	-125.91	382.54	4.52	-121.39
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205538	1	42	-2.0	-125.91	382.54	4.52	-121.39
CC(NC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013205539	1	41	-2.0	-107.87	371.42	7.69	-100.18
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205540	1	41	-2.0	-118.95	371.65	9.82	-109.13
CC(C)(NC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013205541	1	44	-2.0	-105.20	384.16	8.07	-97.13
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205542	1	44	-2.0	-120.04	393.46	10.80	-109.24
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205543	1	42	-2.0	-125.94	382.99	4.52	-121.42
CC(NC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013205544	1	41	-2.0	-107.87	371.42	7.69	-100.18
C[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013205545	1	41	-2.0	-107.93	371.45	7.70	-100.23
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205546	1	44	-2.0	-120.04	393.46	10.80	-109.24
C[C@@H](NC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013205547	1	41	-2.0	-108.08	371.87	7.63	-100.45
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(CC3=CC=CC=C3Cl)S2)CC1	REAL300013205548	1	42	-2.0	-128.80	377.76	8.77	-120.03
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205549	1	44	-2.0	-113.27	386.02	9.94	-103.33
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205550	1	44	-2.0	-113.89	385.48	9.99	-103.90
O=C([O-])CNC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205551	1	38	-2.0	-106.72	350.80	6.86	-99.86
O=C([O-])C(CF)NC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205552	1	41	-2.0	-107.32	375.04	7.71	-99.61
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205553	1	44	-2.0	-114.02	385.59	10.05	-103.97
CC[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013205554	1	44	-2.0	-122.27	393.45	8.70	-113.57
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205555	1	44	-2.0	-113.89	385.48	9.99	-103.90
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205556	1	44	-2.0	-114.02	385.59	10.05	-103.97
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205557	1	42	-2.0	-125.94	382.99	4.52	-121.42
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013205558	1	44	-2.0	-113.27	386.02	9.94	-103.33
C=CCN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013205559	1	46	-2.0	-105.78	385.58	8.57	-97.21
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205560	1	39	-2.0	-115.29	355.26	4.96	-110.33
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205561	1	45	-2.0	-120.36	388.53	7.06	-113.30
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205562	1	45	-2.0	-116.35	366.66	5.18	-111.17
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205563	1	42	-2.0	-117.36	357.81	7.67	-109.69
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013205564	1	39	-2.0	-121.14	343.92	4.74	-116.40
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205565	1	32	-2.0	-107.85	301.68	2.64	-105.21
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC2=CC=CC=C2C=C1	REAL300013205566	1	42	-2.0	-123.89	368.45	6.33	-117.56
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C(=O)[O-])CCSCC1	REAL300013205567	1	37	-2.0	-113.89	313.78	3.72	-110.17
COCC(C)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205568	1	36	-2.0	-118.74	308.96	1.48	-117.26
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205569	1	39	-2.0	-108.34	330.76	3.55	-104.79
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205570	1	38	-2.0	-114.30	322.53	5.08	-109.22
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205571	1	45	-2.0	-114.82	368.00	7.69	-107.13
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205572	1	35	-2.0	-109.18	326.25	5.16	-104.02
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCOC1	REAL300013205573	1	34	-2.0	-114.86	292.22	0.34	-114.52
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C1CCCCC1	REAL300013205574	1	42	-2.0	-116.36	342.40	4.34	-112.02
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C(O)C=C1	REAL300013205575	1	37	-2.0	-117.98	333.53	1.20	-116.78
CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013205576	1	43	-2.0	-110.11	358.22	4.91	-105.20
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205577	1	43	-2.0	-129.30	361.99	8.27	-121.03
C=CCOCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205578	1	37	-2.0	-117.03	332.71	1.70	-115.33
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205579	1	37	-2.0	-130.47	309.97	1.92	-128.55
C=CC(C)C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205580	1	36	-2.0	-112.35	316.60	3.08	-109.27
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C1CCOCC1	REAL300013205581	1	40	-2.0	-115.09	336.60	1.96	-113.13
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C(F)C(F)=C1	REAL300013205582	1	36	-2.0	-111.32	334.82	4.15	-107.17
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C(Cl)C(F)=C1	REAL300013205583	1	36	-2.0	-111.96	344.71	4.59	-107.37
COC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C(C(=O)[O-])C1	REAL300013205584	1	40	-2.0	-125.45	331.66	4.26	-121.19
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C1CCCOC1	REAL300013205585	1	40	-2.0	-113.69	331.04	1.73	-111.96
CC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C(C(=O)[O-])C1	REAL300013205586	1	39	-2.0	-126.85	313.25	5.69	-121.16
CC1=CC(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])=CC=C1F	REAL300013205587	1	39	-2.0	-114.25	349.46	4.68	-109.57
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C2OCCC2=C1	REAL300013205588	1	41	-2.0	-119.48	358.64	3.83	-115.65
CC1=CC(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])=CC(C)=C1	REAL300013205589	1	42	-2.0	-123.38	365.53	5.31	-118.07
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1C	REAL300013205590	1	42	-2.0	-122.87	361.17	5.18	-117.69
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1O	REAL300013205591	1	41	-2.0	-118.77	362.99	1.11	-117.66
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1Cl	REAL300013205592	1	40	-2.0	-117.61	368.23	3.85	-113.76
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205593	1	36	-2.0	-126.06	299.18	5.25	-120.81
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C(Cl)C=C1	REAL300013205594	1	36	-2.0	-113.97	339.25	4.59	-109.38
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205595	1	34	-2.0	-118.35	299.25	5.28	-113.07
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C(=O)[O-])CCCCC1	REAL300013205596	1	39	-2.0	-120.64	316.09	4.04	-116.60
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCCC1	REAL300013205597	1	36	-2.0	-119.60	301.57	2.93	-116.67
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCCCCC1	REAL300013205598	1	42	-2.0	-120.80	321.74	4.69	-116.11
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205599	1	39	-2.0	-115.45	344.12	4.95	-110.50
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205600	1	39	-2.0	-117.14	345.63	7.03	-110.11
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1	REAL300013205601	1	36	-2.0	-120.85	322.75	3.98	-116.87
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1	REAL300013205602	1	36	-2.0	-121.16	322.49	4.07	-117.09
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205603	1	39	-2.0	-115.45	344.12	4.95	-110.50
CCC(C)C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205604	1	38	-2.0	-115.87	321.57	3.12	-112.75
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205605	1	36	-2.0	-126.06	299.18	5.25	-120.81
CCCC(C)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205606	1	38	-2.0	-116.65	312.22	2.95	-113.70
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205607	1	38	-2.0	-114.30	322.53	5.08	-109.22
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205608	1	40	-2.0	-127.69	337.21	7.39	-120.30
CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1CC1	REAL300013205609	1	36	-2.0	-118.25	303.43	3.02	-115.23
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CS1	REAL300013205610	1	33	-2.0	-117.79	314.38	3.08	-114.71
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C(=O)[O-])CCCCC1	REAL300013205611	1	39	-2.0	-120.64	316.09	4.04	-116.60
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205612	1	39	-2.0	-107.45	356.30	7.26	-100.19
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205613	1	43	-2.0	-121.37	374.07	5.00	-116.37
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205614	1	38	-2.0	-115.51	317.09	2.93	-112.58
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCCC1	REAL300013205615	1	36	-2.0	-119.60	301.57	2.93	-116.67
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205616	1	39	-2.0	-107.22	345.99	6.81	-100.41
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC2=CC=CC=C2C1	REAL300013205617	1	40	-2.0	-124.05	342.28	5.19	-118.86
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC(F)=CC=C1F	REAL300013205618	1	36	-2.0	-119.68	333.60	4.16	-115.52
CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013205619	1	39	-2.0	-122.86	330.83	4.70	-118.16
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205620	1	47	-2.0	-117.42	376.71	5.29	-112.13
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205621	1	34	-2.0	-122.57	298.41	0.49	-122.08
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205622	1	40	-2.0	-118.72	367.69	4.89	-113.83
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C(Cl)C=C1	REAL300013205623	1	36	-2.0	-113.97	339.25	4.59	-109.38
O=C([O-])C1COCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205624	1	34	-2.0	-119.74	290.33	2.88	-116.86
CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013205625	1	42	-2.0	-119.82	327.50	5.78	-114.04
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205626	1	42	-2.0	-117.08	368.02	7.81	-109.27
CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013205627	1	39	-2.0	-115.49	331.77	5.87	-109.62
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205628	1	36	-2.0	-115.47	317.99	3.20	-112.27
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCC2=CC=CC=C21	REAL300013205629	1	40	-2.0	-128.00	337.44	4.99	-123.01
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205630	1	36	-2.0	-125.96	299.12	5.33	-120.63
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205631	1	34	-2.0	-120.71	299.15	0.25	-120.46
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205632	1	36	-2.0	-120.74	304.31	4.43	-116.31
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205633	1	43	-2.0	-120.76	378.65	4.93	-115.83
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205634	1	39	-2.0	-125.34	314.03	6.08	-119.26
CCCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205635	1	38	-2.0	-113.76	329.58	3.46	-110.30
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC(O)=C1	REAL300013205636	1	37	-2.0	-121.01	333.12	1.17	-119.84
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205637	1	42	-2.0	-117.08	368.02	7.81	-109.27
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205638	1	36	-2.0	-121.14	304.30	4.44	-116.70
CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013205639	1	42	-2.0	-119.82	327.50	5.78	-114.04
O=C([O-])CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CCCC1	REAL300013205640	1	39	-2.0	-115.63	322.96	5.59	-110.04
COCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205641	1	33	-2.0	-116.07	297.95	0.15	-115.92
CCCCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205642	1	41	-2.0	-113.80	351.08	4.24	-109.56
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205643	1	38	-2.0	-115.40	315.75	3.04	-112.36
CCC1CCC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])CC1	REAL300013205644	1	45	-2.0	-120.55	355.16	5.29	-115.26
O=C([O-])CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CCOCC1	REAL300013205645	1	40	-2.0	-115.40	331.40	3.92	-111.48
CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1(C(=O)[O-])CCCC1	REAL300013205646	1	39	-2.0	-122.01	314.14	4.83	-117.18
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CC1	REAL300013205647	1	36	-2.0	-104.34	304.35	5.72	-98.62
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CC1	REAL300013205648	1	39	-2.0	-109.43	321.15	5.75	-103.68
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1Cl	REAL300013205649	1	36	-2.0	-121.46	334.71	4.42	-117.04
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1F	REAL300013205650	1	36	-2.0	-124.94	326.90	4.15	-120.79
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205651	1	40	-2.0	-120.53	339.65	6.80	-113.73
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])=C1C	REAL300013205652	1	42	-2.0	-122.40	352.74	5.01	-117.39
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1F	REAL300013205653	1	40	-2.0	-117.76	358.43	3.36	-114.40
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CC1	REAL300013205654	1	40	-2.0	-107.18	335.11	5.29	-101.89
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CCC1	REAL300013205655	1	39	-2.0	-107.46	320.62	5.16	-102.30
CCCN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(COC)C(=O)[O-]	REAL300013205656	1	42	-2.0	-118.31	350.69	5.56	-112.75
CCCN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(CC)C(=O)[O-]	REAL300013205657	1	41	-2.0	-119.78	336.27	6.75	-113.03
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205658	1	38	-2.0	-114.82	325.26	3.25	-111.57
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C(=O)[O-])CCOCC1	REAL300013205659	1	37	-2.0	-115.99	307.51	1.54	-114.45
C=CCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205660	1	36	-2.0	-113.58	320.06	3.27	-110.31
CCC(CC)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205661	1	38	-2.0	-117.72	307.39	3.09	-114.63
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013205662	1	40	-2.0	-118.42	352.01	3.36	-115.06
CCC(COC)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205663	1	39	-2.0	-120.54	325.64	2.39	-118.15
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300013205664	1	39	-2.0	-115.13	332.62	0.03	-115.10
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205665	1	36	-2.0	-114.48	317.35	3.49	-110.99
COCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205666	1	36	-2.0	-111.76	319.42	1.01	-110.75
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205667	1	32	-2.0	-109.06	296.37	2.46	-106.60
CCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013205668	1	42	-2.0	-117.58	364.23	6.09	-111.49
CCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013205669	1	42	-2.0	-123.81	347.54	5.57	-118.24
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C1	REAL300013205670	1	46	-2.0	-120.24	372.79	3.12	-117.12
O=C([O-])C(CCF)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205671	1	32	-2.0	-108.65	292.34	2.07	-106.58
COC1(CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])CCC1	REAL300013205672	1	43	-2.0	-118.05	356.66	3.33	-114.72
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC3=C(COCC3)S2)=C1	REAL300013205673	1	43	-2.0	-119.80	365.20	5.48	-114.32
O=C([O-])CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CCOCC1	REAL300013205674	1	40	-2.0	-115.40	331.40	3.92	-111.48
O=C([O-])CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CCCCC1	REAL300013205675	1	42	-2.0	-116.91	340.36	6.30	-110.61
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])CC1	REAL300013205676	1	42	-2.0	-120.87	329.89	4.42	-116.45
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])=C1	REAL300013205677	1	40	-2.0	-122.74	351.61	3.32	-119.42
CC(CCF)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205678	1	35	-2.0	-110.89	297.31	2.34	-108.55
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC3=C(COCC3)S1)OC=C2	REAL300013205679	1	37	-2.0	-116.91	322.32	4.93	-111.98
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])=C1	REAL300013205680	1	40	-2.0	-122.75	351.63	3.31	-119.44
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013205681	1	42	-2.0	-121.47	353.88	5.86	-115.61
COC1=CC=CC(CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])=C1	REAL300013205682	1	43	-2.0	-117.02	374.51	4.22	-112.80
CC1(C)CCCC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013205683	1	45	-2.0	-122.09	344.01	4.91	-117.18
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205684	1	34	-2.0	-124.72	293.49	4.43	-120.29
CC(CC1=CC=C(Cl)C=C1)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205685	1	42	-2.0	-114.95	364.86	5.55	-109.40
CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013205686	1	41	-2.0	-122.44	359.05	5.37	-117.07
COC1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)C(C)(C(=O)[O-])C1	REAL300013205687	1	40	-2.0	-120.74	337.49	3.41	-117.33
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205688	1	43	-2.0	-116.21	353.50	3.50	-112.71
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205689	1	38	-2.0	-115.40	315.75	3.04	-112.36
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205690	1	33	-2.0	-110.87	315.85	2.96	-107.91
C=C(C)CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205691	1	36	-2.0	-113.10	319.60	3.14	-109.96
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205692	1	37	-2.0	-124.55	307.06	5.18	-119.37
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205693	1	34	-2.0	-119.87	299.20	0.25	-119.62
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205694	1	42	-2.0	-114.89	354.55	5.10	-109.79
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205695	1	33	-2.0	-111.08	300.14	4.05	-107.03
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205696	1	33	-2.0	-116.14	293.64	3.99	-112.15
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013205697	1	34	-2.0	-122.23	300.42	4.33	-117.90
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205698	1	43	-2.0	-113.53	353.82	3.40	-110.13
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205699	1	38	-2.0	-114.82	325.26	3.25	-111.57
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C1CCOCC1	REAL300013205700	1	40	-2.0	-115.09	336.60	1.96	-113.13
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1	REAL300013205701	1	36	-2.0	-121.16	322.49	4.07	-117.09
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205702	1	36	-2.0	-114.48	317.35	3.49	-110.99
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205703	1	35	-2.0	-113.52	331.55	2.08	-111.44
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205704	1	44	-2.0	-114.16	368.64	4.74	-109.42
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205705	1	42	-2.0	-118.59	374.48	5.38	-113.21
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205706	1	40	-2.0	-120.24	342.52	2.36	-117.88
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205707	1	33	-2.0	-112.72	293.33	-0.98	-113.70
CSCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205708	1	33	-2.0	-113.51	309.38	2.37	-111.14
COC[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205709	1	33	-2.0	-115.91	298.43	0.16	-115.75
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205710	1	39	-2.0	-111.05	351.17	5.06	-105.99
CCC(C)CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205711	1	41	-2.0	-115.70	342.74	3.94	-111.76
C=CCCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205712	1	39	-2.0	-113.53	342.39	4.02	-109.51
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205713	1	39	-2.0	-111.46	351.35	5.00	-106.46
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC2=CC=CC=C21	REAL300013205714	1	42	-2.0	-128.62	363.64	6.16	-122.46
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205715	1	34	-2.0	-118.35	299.25	5.28	-113.07
CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013205716	1	39	-2.0	-122.86	330.83	4.70	-118.16
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205717	1	37	-2.0	-126.97	309.98	5.58	-121.39
CCN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(C)(C)C(=O)[O-]	REAL300013205718	1	38	-2.0	-118.30	312.36	4.89	-113.41
CCCN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(C)C(=O)[O-]	REAL300013205719	1	38	-2.0	-109.45	319.54	4.96	-104.49
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205720	1	41	-2.0	-114.86	344.45	5.50	-109.36
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205721	1	37	-2.0	-127.23	311.91	4.85	-122.38
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1	REAL300013205722	1	36	-2.0	-120.85	322.75	3.98	-116.87
CCC(C)CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205725	1	41	-2.0	-115.70	342.74	3.94	-111.76
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205726	1	42	-2.0	-120.15	357.82	8.14	-112.01
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205727	1	39	-2.0	-114.61	339.26	3.81	-110.80
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205728	1	38	-2.0	-112.34	339.86	3.22	-109.12
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205729	1	42	-2.0	-109.37	351.53	4.40	-104.97
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205730	1	41	-2.0	-107.77	336.97	5.54	-102.23
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=N1	REAL300013205731	1	35	-2.0	-124.12	319.12	2.40	-121.72
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205732	1	42	-2.0	-123.62	341.77	6.26	-117.36
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205733	1	42	-2.0	-112.74	350.82	7.04	-105.70
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205736	1	38	-2.0	-112.34	339.86	3.22	-109.12
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CN=C1	REAL300013205737	1	35	-2.0	-117.54	317.64	2.20	-115.34
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205738	1	40	-2.0	-122.55	333.19	4.64	-117.91
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205739	0	40	-2.0	-124.95	341.12	7.88	-117.07
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC3=C(COCC3)S2)[C@H]1C(=O)[O-]	REAL300013205740	0	43	-2.0	-119.42	351.83	7.36	-112.06
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205741	1	41	-2.0	-113.06	362.62	4.00	-109.06
C=CCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205742	1	36	-2.0	-113.58	320.06	3.27	-110.31
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205743	1	35	-2.0	-114.36	331.28	1.99	-112.37
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205744	1	36	-2.0	-107.55	351.04	3.73	-103.82
CC#CCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205745	1	34	-2.0	-114.65	313.85	3.30	-111.35
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1=O	REAL300013205746	1	37	-2.0	-115.66	315.54	3.24	-112.42
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205747	1	36	-2.0	-120.76	304.27	4.44	-116.32
O=C([O-])[C@@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1	REAL300013205748	1	36	-2.0	-121.02	322.11	4.02	-117.00
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205749	1	39	-2.0	-118.48	332.19	3.23	-115.25
O=C([O-])CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CCCC1	REAL300013205750	1	39	-2.0	-115.63	322.96	5.59	-110.04
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205751	1	38	-2.0	-115.51	317.09	2.93	-112.58
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC(CO)C1	REAL300013205752	1	37	-2.0	-124.31	318.26	-0.31	-124.62
CCN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013205753	1	45	-2.0	-120.36	370.42	8.08	-112.28
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205754	1	45	-2.0	-120.06	369.26	3.25	-116.81
CC1CCC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013205755	1	39	-2.0	-120.12	321.76	3.57	-116.55
CC1(C)CCCC1(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205756	1	42	-2.0	-123.64	330.54	4.18	-119.46
COCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205757	1	36	-2.0	-111.76	319.42	1.01	-110.75
CC1(C)CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013205758	1	39	-2.0	-121.12	324.14	4.21	-116.91
CC1CCC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C2=CC=CC=C21	REAL300013205759	1	46	-2.0	-129.53	371.60	6.27	-123.26
CC1(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])CC1	REAL300013205760	1	36	-2.0	-117.07	310.18	3.27	-113.80
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205761	1	45	-2.0	-119.73	370.91	3.15	-116.58
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205762	1	34	-2.0	-128.32	299.22	0.43	-127.89
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205763	1	44	-2.0	-125.03	367.03	7.88	-117.15
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1CCOC1	REAL300013205764	1	37	-2.0	-112.04	321.11	1.05	-110.99
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205765	1	37	-2.0	-124.67	309.29	5.00	-119.67
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CNC2=CC=CC=C12	REAL300013205766	1	40	-2.0	-127.34	354.87	4.04	-123.30
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300013205767	1	35	-2.0	-119.87	300.50	2.73	-117.14
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013205768	1	39	-2.0	-127.03	315.45	6.13	-120.90
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205769	1	42	-2.0	-115.94	360.09	5.28	-110.66
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205770	1	43	-2.0	-116.49	359.29	5.05	-111.44
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1CCC1	REAL300013205771	1	36	-2.0	-116.34	307.23	2.81	-113.53
CC1(C)CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])CC(C)(C)O1	REAL300013205772	1	49	-2.0	-119.41	379.99	4.61	-114.80
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C1CCCCC1	REAL300013205773	1	42	-2.0	-116.36	342.40	4.34	-112.02
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1CCC1	REAL300013205774	1	36	-2.0	-116.34	307.23	2.81	-113.53
CC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1C(=O)[O-]	REAL300013205775	1	36	-2.0	-123.32	304.79	4.04	-119.28
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205776	1	43	-2.0	-117.73	358.82	3.65	-114.08
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205777	1	43	-2.0	-126.46	334.26	5.82	-120.64
CC1(C)CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])CCO1	REAL300013205778	1	43	-2.0	-116.96	336.60	2.84	-114.12
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC3=C(COCC3)S1)C2C(=O)[O-]	REAL300013205779	1	43	-2.0	-132.76	353.51	7.82	-124.94
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205780	1	43	-2.0	-116.49	359.29	5.05	-111.44
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205781	1	39	-2.0	-112.68	351.41	4.99	-107.69
COC1CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013205782	1	37	-2.0	-116.61	319.28	1.39	-115.22
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC(F)(F)C1	REAL300013205783	1	33	-2.0	-113.30	296.13	2.55	-110.75
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013205784	1	37	-2.0	-122.30	319.66	1.78	-120.52
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1(C(F)(F)F)CC1	REAL300013205785	1	36	-2.0	-111.74	324.54	3.68	-108.06
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205786	1	39	-2.0	-122.79	317.66	5.67	-117.12
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205787	1	32	-2.0	-107.85	301.68	2.64	-105.21
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205788	1	40	-2.0	-114.13	340.15	1.99	-112.14
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205789	1	36	-2.0	-113.88	336.63	4.04	-109.84
COCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013205790	1	43	-2.0	-123.98	363.74	3.89	-120.09
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205791	1	38	-2.0	-117.07	305.64	2.82	-114.25
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205792	1	34	-2.0	-125.33	294.49	5.04	-120.29
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205793	1	37	-2.0	-124.92	310.60	4.71	-120.21
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205794	1	42	-2.0	-112.74	350.82	7.04	-105.70
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205795	1	45	-2.0	-116.35	366.66	5.18	-111.17
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205796	1	42	-2.0	-115.69	367.15	5.72	-109.97
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205797	1	42	-2.0	-115.43	367.98	5.70	-109.73
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1CC2CCC1C2	REAL300013205798	1	43	-2.0	-118.72	347.02	4.58	-114.14
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205799	1	45	-2.0	-116.33	366.70	5.19	-111.14
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205800	1	45	-2.0	-116.69	366.06	5.12	-111.57
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205801	1	43	-2.0	-125.86	349.49	5.93	-119.93
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205802	1	43	-2.0	-125.15	344.79	5.74	-119.41
COC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013205803	1	43	-2.0	-114.76	374.26	4.29	-110.47
C=CCSCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205804	1	37	-2.0	-114.23	344.33	3.78	-110.45
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013205805	1	40	-2.0	-110.30	365.58	5.38	-104.92
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205806	1	38	-2.0	-116.13	315.44	5.53	-110.60
COC1(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])CCC1	REAL300013205807	1	40	-2.0	-115.31	332.53	1.77	-113.54
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCC(C(F)F)CC1	REAL300013205808	1	42	-2.0	-119.31	347.69	4.83	-114.48
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCC2=CC=CC=C2C1	REAL300013205809	1	43	-2.0	-123.93	353.99	5.96	-117.97
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC(C(F)F)C1	REAL300013205810	1	36	-2.0	-121.20	319.70	3.36	-117.84
O=C([O-])C1CC(NC(=O)NC2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013205811	0	36	-2.0	-116.07	319.85	4.31	-111.76
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013205811	1	35	-3.0	-196.30	316.58	3.11	-193.19
CC(C)(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013205812	1	48	-2.0	-120.85	398.72	6.39	-114.46
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013205813	1	45	-2.0	-120.92	382.33	5.96	-114.96
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205814	1	33	-2.0	-116.14	293.64	3.99	-112.15
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205815	1	35	-2.0	-126.02	303.66	4.76	-121.26
CC1(C)CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1C(=O)[O-]	REAL300013205816	1	39	-2.0	-124.15	321.14	4.68	-119.47
CCOC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013205817	1	43	-2.0	-118.22	374.11	4.20	-114.02
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205818	1	43	-2.0	-129.26	344.81	6.97	-122.29
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1CCC2=CC=CC=C21	REAL300013205819	1	43	-2.0	-117.17	357.46	5.53	-111.64
CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205820	1	43	-2.0	-121.59	365.17	4.94	-116.65
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205821	1	39	-2.0	-113.98	358.72	4.98	-109.00
CC(C)CCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205822	1	41	-2.0	-114.21	346.32	4.01	-110.20
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205823	1	40	-2.0	-127.76	336.80	5.46	-122.30
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205824	1	40	-2.0	-114.13	340.15	1.99	-112.14
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013205825	1	37	-2.0	-117.87	331.43	4.89	-112.98
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205826	1	33	-2.0	-109.17	290.52	-1.56	-110.73
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCCC2CC21	REAL300013205827	1	40	-2.0	-123.18	321.80	4.67	-118.51
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCC2CC21	REAL300013205828	1	37	-2.0	-120.92	310.21	3.53	-117.39
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC2(CCC2)C1	REAL300013205829	1	40	-2.0	-121.17	330.32	4.13	-117.04
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC3=C(COCC3)S1)CCCCC2	REAL300013205830	1	46	-2.0	-127.16	363.67	6.41	-120.75
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1CCCC1	REAL300013205831	1	39	-2.0	-116.75	322.80	3.44	-113.31
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205832	1	36	-2.0	-116.48	316.58	1.15	-115.33
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205833	1	36	-2.0	-121.58	309.59	3.53	-118.05
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205834	1	39	-2.0	-117.14	345.63	7.03	-110.11
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013205835	1	39	-2.0	-125.18	327.44	4.75	-120.43
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205836	1	40	-2.0	-118.30	348.35	7.22	-111.08
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205837	1	36	-2.0	-116.82	310.58	5.37	-111.45
O=C([O-])C1N(C(=O)[N-]C2=NC3=C(COCC3)S2)CCC1(F)F	REAL300013205838	1	33	-2.0	-118.18	298.85	4.02	-114.16
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205839	1	39	-2.0	-112.68	351.41	4.99	-107.69
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205840	1	36	-2.0	-113.13	335.83	3.87	-109.26
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205841	1	36	-2.0	-110.80	316.35	4.56	-106.24
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC2(CC(F)(F)C2)C1	REAL300013205842	1	40	-2.0	-119.41	349.52	4.57	-114.84
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205843	1	44	-2.0	-121.24	375.40	6.36	-114.88
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205844	1	36	-2.0	-113.13	335.83	3.87	-109.26
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205845	1	40	-2.0	-125.80	325.47	5.29	-120.51
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C(O)C=C1	REAL300013205846	1	37	-2.0	-117.95	333.74	1.14	-116.81
COCCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205847	1	39	-2.0	-114.46	341.75	1.75	-112.71
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205848	1	38	-2.0	-107.37	320.57	5.13	-102.24
CCOCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205849	1	36	-2.0	-116.92	319.81	1.13	-115.79
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205850	1	41	-2.0	-114.84	337.41	4.33	-110.51
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C1CCCCO1	REAL300013205851	1	40	-2.0	-119.10	337.82	2.47	-116.63
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC2=CC=CC=C2C1	REAL300013205852	1	40	-2.0	-124.05	342.28	5.19	-118.86
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)[C@@H]1C(=O)[O-]	REAL300013205853	1	37	-2.0	-121.91	310.54	3.55	-118.36
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205854	1	39	-2.0	-106.74	329.86	5.10	-101.64
N#CCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205855	1	33	-2.0	-108.03	307.44	2.41	-105.62
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300013205856	1	50	-2.0	-123.45	378.45	6.09	-117.36
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205857	1	42	-2.0	-118.22	370.32	5.28	-112.94
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205858	1	36	-2.0	-116.84	327.29	5.17	-111.67
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205859	1	47	-2.0	-126.52	360.71	5.98	-120.54
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013205860	1	38	-2.0	-111.54	356.50	3.61	-107.93
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013205861	1	40	-2.0	-123.38	342.32	3.84	-119.54
C=CCN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013205862	1	50	-2.0	-112.70	413.84	11.36	-101.34
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300013205863	1	43	-2.0	-125.10	388.41	8.12	-116.98
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])S1	REAL300013205864	1	49	-2.0	-129.24	417.46	9.93	-119.31
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013205865	1	49	-2.0	-124.79	395.83	7.99	-116.80
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013205866	1	46	-2.0	-120.87	386.73	10.57	-110.30
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])C=C1	REAL300013205867	1	43	-2.0	-129.69	372.80	7.63	-122.06
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013205868	1	36	-2.0	-115.12	331.44	5.50	-109.62
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300013205869	1	46	-2.0	-132.53	397.03	9.16	-123.37
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300013205870	1	41	-2.0	-122.11	342.70	6.63	-115.48
COCC(C)(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205871	1	40	-2.0	-126.87	337.87	4.42	-122.45
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013205872	1	43	-2.0	-115.25	360.60	6.48	-108.77
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013205873	1	42	-2.0	-117.61	351.45	7.96	-109.65
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013205874	1	49	-2.0	-117.75	396.93	10.57	-107.18
CC(C)(C)C1=CN=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300013205875	1	39	-2.0	-112.43	355.17	8.04	-104.39
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300013205876	1	38	-2.0	-122.95	321.14	3.27	-119.68
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013205877	1	46	-2.0	-126.40	369.23	7.00	-119.40
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013205878	1	41	-2.0	-126.20	362.42	4.08	-122.12
CN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(COC1CCC1)C(=O)[O-]	REAL300013205879	1	47	-2.0	-116.76	387.76	7.88	-108.88
CC(C)(C)C1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)S1	REAL300013205880	1	47	-2.0	-130.75	390.88	11.15	-119.60
C=CCOCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205881	1	41	-2.0	-125.05	361.98	4.63	-120.42
CC(C)(C)C1=CN=C([N-]C(=O)N2CCCC(O)C2C(=O)[O-])S1	REAL300013205882	1	41	-2.0	-141.16	338.89	4.87	-136.29
C=CC(C)C(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205883	1	40	-2.0	-120.35	345.50	5.95	-114.40
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013205884	1	44	-2.0	-125.48	359.99	4.59	-120.89
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300013205885	1	40	-2.0	-118.42	364.34	6.99	-111.43
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300013205886	1	40	-2.0	-119.13	374.23	7.44	-111.69
COC1CCN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(C(=O)[O-])C1	REAL300013205887	1	44	-2.0	-135.73	360.57	7.22	-128.51
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)S1	REAL300013205888	1	44	-2.0	-121.41	359.39	4.69	-116.72
CC1CCN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(C(=O)[O-])C1	REAL300013205889	1	43	-2.0	-137.05	349.02	8.83	-128.22
CC1=CC(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])=CC=C1F	REAL300013205890	1	43	-2.0	-122.11	378.13	7.64	-114.47
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300013205891	1	45	-2.0	-127.57	387.32	6.79	-120.78
CC1=CC(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])=CC(C)=C1	REAL300013205892	1	46	-2.0	-131.65	393.85	8.23	-123.42
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])C=C1C	REAL300013205893	1	46	-2.0	-131.49	389.85	8.15	-123.34
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])C=C1O	REAL300013205894	1	45	-2.0	-126.83	391.91	3.99	-122.84
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])C=C1Cl	REAL300013205895	1	44	-2.0	-124.76	396.56	6.77	-117.99
CC(C)(C)C1=CN=C([N-]C(=O)N2CCCCC2C(=O)[O-])S1	REAL300013205896	1	40	-2.0	-136.39	328.10	8.20	-128.19
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013205897	1	40	-2.0	-122.12	368.35	7.39	-114.73
CC(C)(C)C1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013205898	1	38	-2.0	-128.73	328.17	8.25	-120.48
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013205899	1	43	-2.0	-129.14	345.01	6.96	-122.18
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300013205900	1	40	-2.0	-128.54	330.50	5.86	-122.68
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300013205901	1	46	-2.0	-129.76	350.67	7.62	-122.14
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013205902	1	43	-2.0	-123.25	373.04	7.82	-115.43
CC(C)(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013205903	1	43	-2.0	-121.21	374.52	9.91	-111.30
CC(C)(C)C1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013205904	1	40	-2.0	-129.46	351.67	6.86	-122.60
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013205905	1	40	-2.0	-129.40	351.41	6.94	-122.46
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013205906	1	43	-2.0	-123.25	373.04	7.82	-115.43
CCC(C)C(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205907	1	42	-2.0	-123.42	345.44	5.82	-117.60
CC(C)(C)C1=CN=C([N-]C(=O)N2CCCCC2C(=O)[O-])S1	REAL300013205908	1	40	-2.0	-136.39	328.10	8.20	-128.19
CCCC(C)(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205909	1	42	-2.0	-124.79	341.13	5.86	-118.93
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013205910	1	42	-2.0	-117.61	351.45	7.96	-109.65
CC(C)(C)C1=CN=C([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300013205911	1	44	-2.0	-138.82	366.49	10.41	-128.41
CC(C)(C)C1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300013205912	1	40	-2.0	-126.77	332.35	5.95	-120.82
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)S1	REAL300013205913	1	37	-2.0	-126.16	343.06	6.02	-120.14
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013205914	1	43	-2.0	-129.14	345.01	6.96	-122.18
CC(C)(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)S1	REAL300013205915	1	43	-2.0	-110.71	385.20	10.14	-100.57
CC(C)(C)C1=CN=C([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013205916	1	47	-2.0	-129.10	402.92	7.88	-121.22
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205917	1	42	-2.0	-123.56	346.74	5.76	-117.80
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300013205918	1	40	-2.0	-128.54	330.50	5.86	-122.68
CC(C)(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300013205919	1	43	-2.0	-110.34	374.88	9.69	-100.65
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013205920	1	44	-2.0	-133.08	369.61	8.01	-125.07
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300013205921	1	40	-2.0	-128.16	362.52	7.02	-121.14
CC(C)(C)C1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013205922	1	43	-2.0	-131.34	359.75	7.62	-123.72
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205923	1	51	-2.0	-125.66	405.62	8.22	-117.44
CC(C)(C)C1=CN=C([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])S1	REAL300013205924	1	38	-2.0	-131.58	328.10	3.14	-128.44
CC(C)(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)S1	REAL300013205925	1	44	-2.0	-117.65	395.31	8.96	-108.69
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013205926	1	40	-2.0	-122.12	368.35	7.39	-114.73
CC(C)(C)C1=CN=C([N-]C(=O)N2CCOCC2C(=O)[O-])S1	REAL300013205927	1	38	-2.0	-129.86	319.22	5.82	-124.04
CN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C1(C(=O)[O-])CCCCC1	REAL300013205928	1	46	-2.0	-128.42	356.42	8.68	-119.74
CC(C)(C)C1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013205929	1	46	-2.0	-121.30	396.94	10.68	-110.62
CN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013205930	1	43	-2.0	-121.60	361.35	8.80	-112.80
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013205931	1	40	-2.0	-118.80	346.91	6.08	-112.72
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)S1	REAL300013205932	1	44	-2.0	-136.66	366.35	7.88	-128.78
CC(C)(C)C1=CN=C([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300013205933	1	40	-2.0	-136.47	328.02	8.28	-128.19
CC(C)(C)C1=CN=C([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300013205934	1	38	-2.0	-128.28	327.33	3.42	-124.86
CC(C)(C)C1=CN=C([N-]C(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300013205935	1	40	-2.0	-129.28	333.25	7.37	-121.91
CC(C)(C)C1=CN=C([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013205936	1	47	-2.0	-129.71	407.58	7.81	-121.90
CC(C)(C)C1=CN=C([N-]C(=O)N2CCCCCC2C(=O)[O-])S1	REAL300013205937	1	43	-2.0	-135.23	343.12	8.86	-126.37
CCCCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205938	1	42	-2.0	-121.48	358.25	6.40	-115.08
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300013205939	1	41	-2.0	-128.57	362.69	4.01	-124.56
CC(C)(C)C1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013205940	1	46	-2.0	-121.30	396.94	10.68	-110.62
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300013205941	1	40	-2.0	-129.27	333.17	7.35	-121.92
CN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C1(C(=O)[O-])CCCCC1	REAL300013205942	1	46	-2.0	-128.42	356.42	8.68	-119.74
CC(C)(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013205943	1	43	-2.0	-118.56	351.88	8.47	-110.09
COCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205944	1	37	-2.0	-123.31	327.35	3.03	-120.28
CCCCCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205945	1	45	-2.0	-121.54	379.99	7.12	-114.42
CC(C)(C)C1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300013205946	1	42	-2.0	-123.95	346.29	5.90	-118.05
CCC1CCC(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)(C(=O)[O-])CC1	REAL300013205947	1	49	-2.0	-129.73	384.07	8.21	-121.52
CC(C)(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013205948	1	44	-2.0	-118.70	360.31	6.80	-111.90
CN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C1(C(=O)[O-])CCCC1	REAL300013205949	1	43	-2.0	-130.09	343.06	7.73	-122.36
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C1CC1	REAL300013205950	1	40	-2.0	-113.43	326.57	7.12	-106.31
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C1CC1	REAL300013205951	1	43	-2.0	-116.04	350.05	8.65	-107.39
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)S1	REAL300013205952	1	40	-2.0	-129.67	363.63	7.30	-122.37
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)S1	REAL300013205953	1	40	-2.0	-133.70	355.82	7.03	-126.67
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013205954	1	44	-2.0	-128.72	368.61	9.62	-119.10
CC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])=C1C	REAL300013205955	1	46	-2.0	-130.61	382.40	8.00	-122.61
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])C=C1F	REAL300013205956	1	44	-2.0	-124.84	386.75	6.28	-118.56
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C1CC1	REAL300013205957	1	44	-2.0	-113.50	362.90	8.03	-105.47
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C1CCC1	REAL300013205958	1	43	-2.0	-121.89	348.28	9.14	-112.75
CCCN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(COC)C(=O)[O-]	REAL300013205959	1	46	-2.0	-118.09	375.06	7.20	-110.89
CCCN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(CC)C(=O)[O-]	REAL300013205960	1	45	-2.0	-114.32	363.31	8.52	-105.80
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205961	1	42	-2.0	-122.56	353.91	6.21	-116.35
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300013205962	1	41	-2.0	-124.52	336.44	4.47	-120.05
C=CCCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205963	1	40	-2.0	-121.17	349.81	6.12	-115.05
CCC(CC)(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205964	1	42	-2.0	-125.87	336.02	6.02	-119.85
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])C=C1	REAL300013205965	1	44	-2.0	-126.70	380.88	6.25	-120.45
CCC(COC)(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205966	1	43	-2.0	-128.88	354.55	5.31	-123.57
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)S1	REAL300013205967	1	43	-2.0	-123.17	361.48	2.95	-120.22
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300013205968	1	40	-2.0	-122.07	347.37	6.29	-115.78
COCCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205969	1	40	-2.0	-119.01	349.17	3.86	-115.15
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S1	REAL300013205970	1	36	-2.0	-115.79	325.89	5.38	-110.41
CCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013205971	1	46	-2.0	-126.04	393.16	9.02	-117.02
CCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013205972	1	46	-2.0	-132.82	376.47	8.50	-124.32
COC1CCCC(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])C1	REAL300013205973	1	50	-2.0	-128.85	401.71	6.00	-122.85
CC(C)(C)C1=CN=C([N-]C(=O)NC(CCF)C(=O)[O-])S1	REAL300013205974	1	36	-2.0	-115.66	321.85	4.99	-110.67
COC1(CC(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])CCC1	REAL300013205975	1	47	-2.0	-126.54	385.46	6.13	-120.41
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC=C(C(C)(C)C)S2)=C1	REAL300013205976	1	47	-2.0	-124.43	390.71	8.15	-116.28
CC(C)(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013205977	1	44	-2.0	-118.70	360.31	6.80	-111.90
CC(C)(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)S1	REAL300013205978	1	46	-2.0	-120.22	369.27	9.18	-111.04
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)(C(=O)[O-])CC1	REAL300013205979	1	46	-2.0	-130.03	358.82	7.34	-122.69
COC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])=C1	REAL300013205980	1	44	-2.0	-131.18	380.93	6.23	-124.95
CC(C)(C)C1=CN=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S1	REAL300013205981	1	39	-2.0	-118.50	326.22	5.26	-113.24
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])S1	REAL300013205982	1	41	-2.0	-124.74	351.23	7.80	-116.94
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])=C1	REAL300013205983	1	44	-2.0	-131.05	380.53	6.20	-124.85
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C1	REAL300013205984	1	46	-2.0	-131.41	382.85	8.83	-122.58
COC1=CC=CC(CC(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])=C1	REAL300013205985	1	47	-2.0	-125.90	403.13	7.18	-118.72
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)S1	REAL300013205986	1	49	-2.0	-131.37	372.93	7.84	-123.53
CC(C)(C)C1=CN=C([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300013205987	1	38	-2.0	-134.52	322.44	7.38	-127.14
CC(C)(C)C1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])S1	REAL300013205988	1	46	-2.0	-122.76	393.80	8.47	-114.29
CC(C)(C)C1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300013205989	1	45	-2.0	-129.88	387.96	8.29	-121.59
COC1CN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(C)(C(=O)[O-])C1	REAL300013205990	1	44	-2.0	-128.50	366.41	6.32	-122.18
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])S1	REAL300013205991	1	47	-2.0	-123.81	382.42	6.37	-117.44
CC(C)(C)C1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300013205992	1	42	-2.0	-123.95	346.29	5.90	-118.05
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205993	1	37	-2.0	-118.55	343.99	5.92	-112.63
C=C(C)CC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013205994	1	40	-2.0	-120.80	348.41	6.16	-114.64
CC(C)(C)C1=CN=C([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)S1	REAL300013205995	1	41	-2.0	-134.27	335.99	8.13	-126.14
CC(C)(C)C1=CN=C([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])S1	REAL300013205996	1	38	-2.0	-129.67	329.47	3.03	-126.64
CC(C)(C)C1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013205997	1	46	-2.0	-122.52	383.48	8.02	-114.50
CC(C)(C)C1=CN=C([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300013205998	1	37	-2.0	-118.99	329.06	6.96	-112.03
CC(C)(C)C1=CN=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013205999	1	37	-2.0	-124.04	322.61	6.89	-117.15
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C1	REAL300013206000	1	38	-2.0	-130.91	329.32	7.26	-123.65
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300013206001	1	47	-2.0	-122.19	386.12	5.63	-116.56
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206002	1	42	-2.0	-122.56	353.91	6.21	-116.35
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013206003	1	44	-2.0	-125.48	359.99	4.59	-120.89
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013206004	1	40	-2.0	-129.40	351.41	6.94	-122.46
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300013206005	1	40	-2.0	-122.07	347.37	6.29	-115.78
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])S1	REAL300013206006	1	39	-2.0	-120.74	360.48	4.97	-115.77
CC(C)CCCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206007	1	48	-2.0	-121.86	397.32	7.69	-114.17
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])S1	REAL300013206008	1	46	-2.0	-126.79	403.50	8.26	-118.53
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])S1	REAL300013206009	1	44	-2.0	-128.09	369.72	5.70	-122.39
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206010	1	37	-2.0	-125.50	323.64	1.69	-123.81
CSCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206011	1	37	-2.0	-121.27	338.96	5.21	-116.06
COC[C@H](NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206012	1	37	-2.0	-123.34	326.86	3.03	-120.31
CC(C)(C)C1=CN=C([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013206013	1	43	-2.0	-118.93	380.34	7.87	-111.06
CCC(C)CC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206014	1	45	-2.0	-122.76	372.19	6.81	-115.95
C=CCCCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206015	1	43	-2.0	-121.31	371.07	6.96	-114.35
CC(C)(C)C1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013206016	1	43	-2.0	-118.91	380.27	7.88	-111.03
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300013206017	1	46	-2.0	-137.91	392.38	9.02	-128.89
CC(C)(C)C1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013206018	1	38	-2.0	-128.73	328.17	8.25	-120.48
CC(C)(C)C1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013206019	1	43	-2.0	-131.34	359.75	7.62	-123.72
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])S1	REAL300013206020	1	41	-2.0	-137.12	338.80	8.47	-128.65
CCN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(C)(C)C(=O)[O-]	REAL300013206021	1	42	-2.0	-126.61	341.27	7.82	-118.79
CCCN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(C)C(=O)[O-]	REAL300013206022	1	42	-2.0	-112.68	346.26	7.66	-105.02
CC(C)(C)C1=CN=C([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013206023	1	45	-2.0	-121.78	373.37	8.39	-113.39
CC(C)(C)C1=CN=C([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])S1	REAL300013206024	1	41	-2.0	-130.60	339.64	7.87	-122.73
CC(C)(C)C1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013206025	1	40	-2.0	-129.46	351.67	6.86	-122.60
CCC(C)CC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206028	1	45	-2.0	-122.76	372.19	6.81	-115.95
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013206029	1	46	-2.0	-122.36	385.88	11.19	-111.17
CC(C)=CCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206030	1	43	-2.0	-123.02	368.14	6.69	-116.33
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013206031	1	42	-2.0	-120.23	369.05	6.03	-114.20
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013206032	1	46	-2.0	-116.18	380.87	7.24	-108.94
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013206033	1	45	-2.0	-113.53	366.94	8.57	-104.96
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)S1	REAL300013206034	1	39	-2.0	-132.52	348.04	5.29	-127.23
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013206035	1	46	-2.0	-132.31	370.70	9.17	-123.14
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013206036	1	46	-2.0	-117.38	378.68	9.75	-107.63
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013206039	1	42	-2.0	-120.23	369.05	6.03	-114.20
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)S1	REAL300013206040	1	39	-2.0	-125.34	346.32	5.15	-120.19
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013206041	1	44	-2.0	-130.32	362.11	7.58	-122.74
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013206042	0	44	-2.0	-133.55	370.04	10.80	-122.75
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)[C@H]1C(=O)[O-]	REAL300013206043	0	47	-2.0	-123.14	380.76	10.25	-112.89
CC(C)(C)C1=CN=C([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])S1	REAL300013206044	1	45	-2.0	-120.85	391.54	6.88	-113.97
C=CCCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206045	1	40	-2.0	-121.17	349.81	6.12	-115.05
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300013206046	1	39	-2.0	-122.75	360.46	4.80	-117.95
CC(C)(C)C1=CN=C([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300013206047	1	40	-2.0	-114.60	379.72	6.68	-107.92
CC#CCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206048	1	38	-2.0	-122.60	343.35	6.22	-116.38
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)CC1=O	REAL300013206049	1	41	-2.0	-124.44	344.59	6.17	-118.27
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300013206050	1	40	-2.0	-129.31	333.18	7.35	-121.96
CC(C)(C)C1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013206051	1	40	-2.0	-129.51	351.63	6.87	-122.64
CC(C)(C)C1=CN=C([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])S1	REAL300013206052	1	43	-2.0	-127.16	361.11	6.15	-121.01
CC(C)(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013206053	1	43	-2.0	-118.56	351.88	8.47	-110.09
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206054	1	42	-2.0	-123.56	346.74	5.76	-117.80
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)S1	REAL300013206055	1	41	-2.0	-131.27	348.90	2.72	-128.55
CCN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013206056	1	49	-2.0	-128.95	399.35	11.01	-117.94
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206057	1	49	-2.0	-128.08	398.94	6.05	-122.03
CC1CCC(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)(C(=O)[O-])C1	REAL300013206058	1	43	-2.0	-129.97	350.54	6.46	-123.51
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)S1	REAL300013206059	1	46	-2.0	-132.22	359.36	7.08	-125.14
COCCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206060	1	40	-2.0	-119.01	349.17	3.86	-115.15
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300013206061	1	43	-2.0	-130.61	353.04	7.15	-123.46
CC1CCC(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)(C(=O)[O-])C2=CC=CC=C21	REAL300013206062	1	50	-2.0	-140.15	400.33	9.15	-131.00
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300013206063	1	40	-2.0	-124.72	344.28	5.88	-118.84
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206064	1	49	-2.0	-127.93	400.04	6.03	-121.90
CC(C)(C)C1=CN=C([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])S1	REAL300013206065	1	38	-2.0	-137.00	326.78	3.33	-133.67
CC(C)(C)C1=CN=C([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])S1	REAL300013206066	1	48	-2.0	-129.56	395.95	10.75	-118.81
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOC2)S1	REAL300013206067	1	41	-2.0	-119.73	350.03	3.93	-115.80
CC(C)(C)C1=CN=C([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])S1	REAL300013206068	1	41	-2.0	-133.66	338.47	7.96	-125.70
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300013206069	1	44	-2.0	-135.47	383.17	6.95	-128.52
CC(C)(C)C1=CN=C([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)S1	REAL300013206070	1	39	-2.0	-129.52	329.90	5.60	-123.92
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C1	REAL300013206071	1	43	-2.0	-137.05	349.01	8.80	-128.25
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206072	1	46	-2.0	-124.51	388.81	8.13	-116.38
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013206073	1	47	-2.0	-124.52	388.08	8.00	-116.52
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300013206074	1	40	-2.0	-123.73	340.37	5.84	-117.89
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)S1	REAL300013206075	1	53	-2.0	-127.72	408.92	7.53	-120.19
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013206076	1	46	-2.0	-126.40	369.23	7.00	-119.40
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300013206077	1	40	-2.0	-123.73	340.37	5.84	-117.89
CC1CCN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C1C(=O)[O-]	REAL300013206078	1	40	-2.0	-130.80	329.84	7.35	-123.45
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300013206079	1	47	-2.0	-125.88	387.50	6.60	-119.28
CC(C)(C)C1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)S1	REAL300013206080	1	47	-2.0	-128.84	363.88	8.70	-120.14
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)S1	REAL300013206081	1	47	-2.0	-125.69	365.55	5.75	-119.94
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)C2C(=O)[O-]	REAL300013206082	1	47	-2.0	-143.92	382.43	10.76	-133.16
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013206083	1	47	-2.0	-124.52	388.08	8.00	-116.52
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013206084	1	43	-2.0	-121.55	380.04	7.94	-113.61
COC1CC(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)(C(=O)[O-])C1	REAL300013206085	1	41	-2.0	-125.27	348.21	4.32	-120.95
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)S1	REAL300013206086	1	37	-2.0	-122.04	325.21	5.48	-116.56
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)(C(=O)[O-])C1	REAL300013206087	1	41	-2.0	-125.28	348.24	4.32	-120.96
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)S1	REAL300013206088	1	40	-2.0	-118.15	355.98	6.30	-111.85
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013206089	1	43	-2.0	-131.62	346.47	8.57	-123.05
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013206090	1	36	-2.0	-115.12	331.44	5.50	-109.62
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013206091	1	44	-2.0	-121.82	370.78	4.93	-116.89
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])S1	REAL300013206092	1	40	-2.0	-121.68	365.79	6.86	-114.82
COCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013206093	1	47	-2.0	-132.87	392.66	6.83	-126.04
CC(C)C(C)(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206094	1	42	-2.0	-125.18	334.57	5.73	-119.45
CC(C)(C)C1=CN=C([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013206095	1	38	-2.0	-135.40	323.50	7.93	-127.47
CC(C)(C)C1=CN=C([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013206096	1	41	-2.0	-134.10	339.24	7.59	-126.51
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013206097	1	46	-2.0	-117.38	378.68	9.75	-107.63
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013206098	1	49	-2.0	-124.79	395.83	7.99	-116.80
CC(C)(C)C1=CN=C([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013206099	1	46	-2.0	-123.50	396.66	8.64	-114.86
CC(C)(C)C1=CN=C([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013206100	1	46	-2.0	-123.49	396.66	8.64	-114.85
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300013206101	1	47	-2.0	-127.30	377.28	7.65	-119.65
CC(C)(C)C1=CN=C([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013206102	1	49	-2.0	-124.78	395.60	8.08	-116.70
CC(C)(C)C1=CN=C([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013206103	1	49	-2.0	-124.77	394.98	8.00	-116.77
CC(C)(C)C1=CN=C([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])S1	REAL300013206104	1	47	-2.0	-128.99	378.50	8.82	-120.17
CC(C)(C)C1=CN=C([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])S1	REAL300013206105	1	47	-2.0	-135.00	374.93	8.54	-126.46
COC1=CC=C(CC(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])C=C1	REAL300013206106	1	47	-2.0	-123.31	403.36	7.11	-116.20
C=CCSCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206107	1	41	-2.0	-122.06	373.47	6.60	-115.46
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])S1	REAL300013206108	1	44	-2.0	-117.76	393.86	8.23	-109.53
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013206109	1	42	-2.0	-113.38	341.81	7.79	-105.59
COC1(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])CCC1	REAL300013206110	1	44	-2.0	-122.80	363.09	4.46	-118.34
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)S1	REAL300013206111	1	46	-2.0	-124.79	377.41	7.79	-117.00
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)S1	REAL300013206112	1	47	-2.0	-133.35	382.97	8.88	-124.47
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)S1	REAL300013206113	1	40	-2.0	-124.57	346.73	6.17	-118.40
CC(C)(C)C1=CN=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013206114	0	40	-2.0	-127.84	348.74	7.25	-120.59
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013206114	1	39	-3.0	-203.44	344.13	5.93	-197.51
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300013206115	1	52	-2.0	-129.36	427.59	9.28	-120.08
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])C=C1	REAL300013206116	1	49	-2.0	-129.20	411.63	8.87	-120.33
CC(C)(C)C1=CN=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013206117	1	37	-2.0	-124.04	322.61	6.89	-117.15
CC(C)(C)C1=CN=C([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])S1	REAL300013206118	1	39	-2.0	-125.56	331.93	7.64	-117.92
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])S1	REAL300013206119	1	43	-2.0	-133.48	350.07	7.59	-125.89
CCOC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)(C)C)S2)C(=O)[O-])C=C1	REAL300013206120	1	47	-2.0	-126.62	402.76	7.16	-119.46
CC(C)(C)C1=CN=C([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])S1	REAL300013206121	1	47	-2.0	-138.94	372.33	9.82	-129.12
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300013206122	1	47	-2.0	-125.76	392.11	8.76	-117.00
CC(C)(C)C1=CN=C([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])S1	REAL300013206123	1	47	-2.0	-130.25	394.09	7.86	-122.39
CC(C)(C)C1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])S1	REAL300013206124	1	43	-2.0	-121.96	387.04	7.80	-114.16
CC(C)CCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206125	1	45	-2.0	-121.94	375.82	6.92	-115.02
CC(C)(C)C1=CN=C([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])S1	REAL300013206126	1	44	-2.0	-130.52	365.74	8.34	-122.18
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013206127	1	44	-2.0	-121.82	370.78	4.93	-116.89
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C1	REAL300013206128	1	41	-2.0	-126.39	360.35	7.80	-118.59
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206129	1	37	-2.0	-125.88	325.46	1.56	-124.32
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)S1	REAL300013206130	1	44	-2.0	-130.59	353.33	7.33	-123.26
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)S1	REAL300013206131	1	41	-2.0	-129.99	339.13	6.46	-123.53
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300013206132	1	44	-2.0	-130.68	359.24	7.07	-123.61
CC(C)(C)C1=CN=C([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300013206133	1	50	-2.0	-129.86	392.55	9.33	-120.53
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCC2)S1	REAL300013206134	1	43	-2.0	-125.21	351.70	6.32	-118.89
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206135	1	40	-2.0	-124.12	345.50	4.03	-120.09
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206136	1	40	-2.0	-128.68	332.21	6.11	-122.57
CC(C)(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013206137	1	43	-2.0	-121.21	374.52	9.91	-111.30
CC(C)(C)C1=CN=C([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])S1	REAL300013206138	1	43	-2.0	-128.43	356.34	7.65	-120.78
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])S1	REAL300013206139	1	44	-2.0	-128.05	377.21	10.15	-117.90
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])S1	REAL300013206140	1	40	-2.0	-127.02	339.42	8.40	-118.62
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])S1	REAL300013206141	1	37	-2.0	-126.64	327.77	6.94	-119.70
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013206142	1	43	-2.0	-121.55	380.04	7.94	-113.61
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013206143	1	40	-2.0	-121.05	364.52	6.81	-114.24
CC(C)(C)C1=CN=C([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])S1	REAL300013206144	1	40	-2.0	-122.69	345.68	7.57	-115.12
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)S1	REAL300013206145	1	44	-2.0	-128.69	378.44	7.50	-121.19
CC(C)(C)C1=CN=C([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])S1	REAL300013206146	1	48	-2.0	-129.72	405.11	9.03	-120.69
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013206147	1	40	-2.0	-121.05	364.52	6.81	-114.24
CC(C)(C)C1=CN=C([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013206148	1	44	-2.0	-134.48	355.22	7.98	-126.50
CC(C)(C)C1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013206149	1	41	-2.0	-126.18	362.42	4.09	-122.09
COCCCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206150	1	43	-2.0	-122.16	370.43	4.69	-117.47
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013206151	1	42	-2.0	-113.34	350.58	8.00	-105.34
CCOCC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206152	1	40	-2.0	-124.17	349.21	4.01	-120.16
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206153	1	45	-2.0	-122.98	366.07	7.26	-115.72
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)S1	REAL300013206154	1	44	-2.0	-127.52	364.23	4.95	-122.57
CC(C)(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013206155	1	44	-2.0	-133.08	369.61	8.01	-125.07
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)[C@@H]1C(=O)[O-]	REAL300013206156	1	41	-2.0	-132.03	339.25	6.40	-125.63
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])S1	REAL300013206157	1	43	-2.0	-114.01	358.78	7.98	-106.03
CC(C)(C)C1=CN=C([N-]C(=O)NC(CCC#N)C(=O)[O-])S1	REAL300013206158	1	37	-2.0	-114.57	336.35	5.30	-109.27
CC(C)(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)S1	REAL300013206159	1	54	-2.0	-133.20	408.04	8.90	-124.30
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])S1	REAL300013206160	1	46	-2.0	-126.10	399.27	8.15	-117.95
CC(C)(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)S1	REAL300013206161	1	40	-2.0	-118.65	356.20	8.05	-110.60
CC(C)(C)C1=CN=C([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])S1	REAL300013206162	1	51	-2.0	-137.92	390.63	8.73	-129.19
CC(C)(C)C1=CN=C([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300013206163	1	42	-2.0	-118.77	385.42	6.49	-112.28
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C1	REAL300013206164	1	44	-2.0	-132.23	371.22	6.75	-125.48
O=C([O-])C1CC(NC(=O)NC2=CN(CCN3CCOCC3)N=C2)(C(=O)[O-])C1	REAL300013206401	0	48	-2.0	-121.83	391.45	2.90	-118.93
C=CCN(C(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013206438	1	50	-2.0	-108.10	412.82	10.92	-97.18
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300013206439	1	43	-2.0	-118.51	388.30	7.69	-110.82
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])S1	REAL300013206440	1	49	-2.0	-122.73	416.51	9.36	-113.37
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013206441	1	49	-2.0	-118.98	396.20	7.60	-111.38
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013206442	1	46	-2.0	-119.21	387.11	10.17	-109.04
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300013206443	1	43	-2.0	-123.70	373.45	7.15	-116.55
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013206444	1	36	-2.0	-109.84	329.57	5.08	-104.76
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300013206445	1	46	-2.0	-126.53	396.35	8.76	-117.77
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300013206446	1	41	-2.0	-116.14	343.08	6.21	-109.93
COCC(C)(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206447	1	40	-2.0	-120.67	336.86	3.92	-116.75
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)C)=C(C)S1	REAL300013206448	1	43	-2.0	-110.16	358.65	5.99	-104.17
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300013206449	1	42	-2.0	-117.31	350.67	7.74	-109.57
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)C)=C(C)S1	REAL300013206450	1	49	-2.0	-119.16	402.02	10.20	-108.96
CC1=C(C(C)C)N=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300013206451	1	39	-2.0	-110.89	354.15	7.60	-103.29
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300013206452	1	38	-2.0	-116.97	320.12	2.76	-114.21
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013206453	1	46	-2.0	-120.39	368.21	6.55	-113.84
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013206454	1	41	-2.0	-120.38	362.82	3.71	-116.67
CC1=C(C(C)C)N=C([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])S1	REAL300013206455	1	47	-2.0	-112.20	386.74	7.44	-104.76
CC1=C(C(C)C)N=C([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)S1	REAL300013206456	1	47	-2.0	-131.68	391.28	10.76	-120.92
C=CCOCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206457	1	41	-2.0	-118.96	361.09	4.15	-114.81
CC1=C(C(C)C)N=C([N-]C(=O)N2CCCC(O)C2C(=O)[O-])S1	REAL300013206458	1	41	-2.0	-132.80	337.83	4.43	-128.37
C=CC(C)C(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206459	1	40	-2.0	-115.31	346.01	5.51	-109.80
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013206460	1	44	-2.0	-119.59	358.97	4.16	-115.43
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300013206461	1	40	-2.0	-113.18	364.10	6.65	-106.53
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300013206462	1	40	-2.0	-114.02	374.59	7.05	-106.97
COC1CCN(C(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(C(=O)[O-])C1	REAL300013206463	1	44	-2.0	-127.73	359.57	6.69	-121.04
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)S1	REAL300013206464	1	44	-2.0	-116.08	360.34	4.22	-111.86
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(C)CC2C(=O)[O-])S1	REAL300013206465	1	43	-2.0	-129.31	341.17	8.11	-121.20
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)S1	REAL300013206466	1	43	-2.0	-116.24	378.15	7.21	-109.03
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300013206467	1	45	-2.0	-122.02	387.94	6.33	-115.69
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300013206468	1	46	-2.0	-125.67	394.82	7.81	-117.86
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)S1	REAL300013206469	1	46	-2.0	-125.47	390.42	7.69	-117.78
COC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(=O)[O-])C=C1O	REAL300013206470	1	45	-2.0	-120.82	391.68	3.64	-117.18
COC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(=O)[O-])C=C1Cl	REAL300013206471	1	44	-2.0	-119.63	397.52	6.34	-113.29
CC1=C(C(C)C)N=C([N-]C(=O)N2CCCCC2C(=O)[O-])S1	REAL300013206472	1	40	-2.0	-128.25	326.92	7.75	-120.50
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013206473	1	40	-2.0	-116.38	367.33	6.95	-109.43
CC1=C(C(C)C)N=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013206474	1	38	-2.0	-120.66	327.15	7.72	-112.94
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013206475	1	43	-2.0	-122.62	345.38	6.53	-116.09
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300013206476	1	40	-2.0	-121.99	330.87	5.43	-116.56
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300013206477	1	46	-2.0	-123.11	351.04	7.19	-115.92
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013206478	1	43	-2.0	-117.60	372.84	7.38	-110.22
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013206479	1	43	-2.0	-119.09	374.91	9.52	-109.57
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013206480	1	40	-2.0	-123.42	350.66	6.41	-117.01
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013206481	1	40	-2.0	-123.39	350.39	6.51	-116.88
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013206482	1	43	-2.0	-117.60	372.84	7.38	-110.22
CCC(C)C(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206483	1	42	-2.0	-116.64	346.67	5.53	-111.11
CC1=C(C(C)C)N=C([N-]C(=O)N2CCCCC2C(=O)[O-])S1	REAL300013206484	1	40	-2.0	-128.25	326.92	7.75	-120.50
CCCC(C)(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206485	1	42	-2.0	-118.70	340.11	5.39	-113.31
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300013206486	1	42	-2.0	-117.31	350.67	7.74	-109.57
CC1=C(C(C)C)N=C([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300013206487	1	44	-2.0	-130.25	365.11	9.82	-120.43
CC1=C(C(C)C)N=C([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300013206488	1	40	-2.0	-120.60	332.73	5.51	-115.09
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)S1	REAL300013206489	1	37	-2.0	-120.34	343.02	5.60	-114.74
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013206490	1	43	-2.0	-122.62	345.38	6.53	-116.09
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)S1	REAL300013206491	1	43	-2.0	-109.47	384.22	9.70	-99.77
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013206492	1	47	-2.0	-123.27	401.09	7.48	-115.79
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206493	1	42	-2.0	-117.58	344.99	5.37	-112.21
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300013206494	1	40	-2.0	-121.99	330.87	5.43	-116.56
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300013206495	1	43	-2.0	-109.19	373.90	9.25	-99.94
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013206496	1	44	-2.0	-126.04	371.36	7.69	-118.35
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300013206497	1	40	-2.0	-122.24	361.50	6.59	-115.65
CC1=C(C(C)C)N=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013206498	1	43	-2.0	-124.96	360.12	7.19	-117.77
CCCCCCC(C)(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206499	1	51	-2.0	-119.39	404.61	7.73	-111.66
CC1=C(C(C)C)N=C([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])S1	REAL300013206500	1	38	-2.0	-124.64	326.31	2.93	-121.71
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)S1	REAL300013206501	1	44	-2.0	-120.61	396.98	7.38	-113.23
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013206502	1	40	-2.0	-116.38	367.33	6.95	-109.43
CC1=C(C(C)C)N=C([N-]C(=O)N2CCOCC2C(=O)[O-])S1	REAL300013206503	1	38	-2.0	-122.08	318.23	5.32	-116.76
CC1=C(C(C)C)N=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013206504	1	46	-2.0	-122.00	356.79	8.28	-113.72
CC1=C(C(C)C)N=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013206505	1	46	-2.0	-119.05	395.92	10.25	-108.80
CC1=C(C(C)C)N=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013206506	1	43	-2.0	-117.11	361.00	8.36	-108.75
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)C)=C(C)S1	REAL300013206507	1	40	-2.0	-117.39	345.89	5.64	-111.75
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)S1	REAL300013206508	1	44	-2.0	-130.51	366.73	7.48	-123.03
CC1=C(C(C)C)N=C([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300013206509	1	40	-2.0	-128.38	327.05	7.78	-120.60
CC1=C(C(C)C)N=C([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300013206510	1	38	-2.0	-122.21	326.33	2.94	-119.27
CC1=C(C(C)C)N=C([N-]C(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300013206511	1	40	-2.0	-123.10	333.54	6.94	-116.16
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013206512	1	47	-2.0	-123.25	408.19	7.37	-115.88
CC1=C(C(C)C)N=C([N-]C(=O)N2CCCCCC2C(=O)[O-])S1	REAL300013206513	1	43	-2.0	-127.78	341.94	8.52	-119.26
CCCCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206514	1	42	-2.0	-115.75	356.64	5.92	-109.83
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300013206515	1	41	-2.0	-123.10	363.02	3.62	-119.48
CC1=C(C(C)C)N=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013206516	1	46	-2.0	-119.05	395.92	10.25	-108.80
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300013206517	1	40	-2.0	-123.08	332.20	6.87	-116.21
CC1=C(C(C)C)N=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013206518	1	46	-2.0	-122.00	356.79	8.28	-113.72
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013206519	1	43	-2.0	-117.29	351.83	8.11	-109.18
COCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206520	1	37	-2.0	-117.93	326.33	2.60	-115.33
CCCCCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206521	1	45	-2.0	-115.76	378.13	6.70	-109.06
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300013206522	1	42	-2.0	-117.37	345.04	5.54	-111.83
CCC1CCC(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)(C(=O)[O-])CC1	REAL300013206523	1	49	-2.0	-123.01	384.44	7.78	-115.23
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013206524	1	44	-2.0	-117.08	360.69	6.41	-110.67
CC1=C(C(C)C)N=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)S1	REAL300013206525	1	43	-2.0	-123.88	343.43	7.32	-116.56
CC1=C(C(C)C)N=C([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300013206526	1	40	-2.0	-106.17	333.64	8.21	-97.96
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C(C)C)=C(C)S1)C1CC1	REAL300013206527	1	43	-2.0	-111.06	350.44	8.24	-102.82
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)S1	REAL300013206528	1	40	-2.0	-123.61	362.61	6.85	-116.76
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)S1	REAL300013206529	1	40	-2.0	-127.55	355.04	6.52	-121.03
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013206530	1	44	-2.0	-122.52	367.55	9.24	-113.28
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=C(C)C(C)=CC=C2)S1	REAL300013206531	1	46	-2.0	-124.69	380.63	7.45	-117.24
COC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(=O)[O-])C=C1F	REAL300013206532	1	44	-2.0	-119.84	387.72	5.86	-113.98
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C(C)C)=C(C)S1)C1CC1	REAL300013206533	1	44	-2.0	-108.81	364.39	7.79	-101.02
CC1=C(C(C)C)N=C([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)S1	REAL300013206534	1	43	-2.0	-108.85	348.46	7.54	-101.31
CCCN(C(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(COC)C(=O)[O-]	REAL300013206535	1	46	-2.0	-120.61	378.86	8.01	-112.60
CCCN(C(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(CC)C(=O)[O-]	REAL300013206536	1	45	-2.0	-119.01	364.79	8.70	-110.31
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300013206537	1	42	-2.0	-116.93	353.18	5.65	-111.28
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300013206538	1	41	-2.0	-118.31	336.81	4.04	-114.27
C=CCCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206539	1	40	-2.0	-115.60	347.95	5.70	-109.90
CCC(CC)(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206540	1	42	-2.0	-119.71	334.99	5.53	-114.18
COC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(=O)[O-])C=C1	REAL300013206541	1	44	-2.0	-120.86	381.54	5.77	-115.09
CCC(COC)(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206542	1	43	-2.0	-122.51	353.53	4.83	-117.68
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)S1	REAL300013206543	1	43	-2.0	-117.16	361.93	2.52	-114.64
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300013206544	1	40	-2.0	-116.45	346.64	5.98	-110.47
COCCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206545	1	40	-2.0	-113.68	348.15	3.42	-110.26
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S1	REAL300013206546	1	36	-2.0	-110.06	325.99	4.66	-105.40
CCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013206547	1	46	-2.0	-119.89	393.46	8.56	-111.33
CCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013206548	1	46	-2.0	-126.37	375.45	8.01	-118.36
COC1CCCC(C(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(=O)[O-])C1	REAL300013206549	1	50	-2.0	-120.18	404.12	5.83	-114.35
CC1=C(C(C)C)N=C([N-]C(=O)NC(CCF)C(=O)[O-])S1	REAL300013206550	1	36	-2.0	-110.48	320.23	4.51	-105.97
COC1(CC(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(=O)[O-])CCC1	REAL300013206551	1	47	-2.0	-120.47	384.44	5.69	-114.78
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC(C(C)C)=C(C)S2)=C1	REAL300013206552	1	47	-2.0	-121.72	394.49	7.97	-113.75
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013206553	1	44	-2.0	-117.08	360.69	6.41	-110.67
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)S1	REAL300013206554	1	46	-2.0	-118.65	368.26	8.74	-109.91
CC1=C(C(C)C)N=C([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)S1	REAL300013206555	1	46	-2.0	-123.36	359.18	6.91	-116.45
COC1=CC=CC(C(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(=O)[O-])=C1	REAL300013206556	1	44	-2.0	-124.92	379.51	5.75	-119.17
CC1=C(C(C)C)N=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S1	REAL300013206557	1	39	-2.0	-112.78	325.20	4.78	-108.00
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])S1	REAL300013206558	1	41	-2.0	-118.78	350.23	7.36	-111.42
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(=O)[O-])=C1	REAL300013206559	1	44	-2.0	-125.06	380.14	5.71	-119.35
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)C)=C(C)S2)C1	REAL300013206560	1	46	-2.0	-123.68	381.83	8.32	-115.36
COC1=CC=CC(CC(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(=O)[O-])=C1	REAL300013206561	1	47	-2.0	-120.56	402.11	6.74	-113.82
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)S1	REAL300013206562	1	49	-2.0	-124.49	371.90	7.35	-117.14
CC1=C(C(C)C)N=C([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300013206563	1	38	-2.0	-127.04	322.81	6.94	-120.10
CC1=C(C(C)C)N=C([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])S1	REAL300013206564	1	46	-2.0	-116.82	394.16	8.04	-108.78
CC1=C(C(C)C)N=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300013206565	1	45	-2.0	-124.38	386.97	7.81	-116.57
COC1CN(C(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(C)(C(=O)[O-])C1	REAL300013206566	1	44	-2.0	-122.61	366.78	5.90	-116.71
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])S1	REAL300013206567	1	47	-2.0	-118.22	380.81	5.89	-112.33
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300013206568	1	42	-2.0	-117.37	345.04	5.54	-111.83
C=C(Cl)CC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206569	1	37	-2.0	-112.80	342.91	5.44	-107.36
C=C(C)CC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206570	1	40	-2.0	-115.17	347.23	5.57	-109.60
CC1=C(C(C)C)N=C([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)S1	REAL300013206571	1	41	-2.0	-126.68	336.36	7.67	-119.01
CC1=C(C(C)C)N=C([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])S1	REAL300013206572	1	38	-2.0	-123.05	328.48	2.59	-120.46
CC1=C(C(C)C)N=C([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013206573	1	46	-2.0	-116.71	383.84	7.59	-109.12
CC1=C(C(C)C)N=C([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300013206574	1	37	-2.0	-113.01	328.06	6.49	-106.52
CC1=C(C(C)C)N=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013206575	1	37	-2.0	-118.02	321.53	6.43	-111.59
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)C)=C(C)S2)C1	REAL300013206576	1	38	-2.0	-124.35	328.32	6.77	-117.58
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300013206577	1	47	-2.0	-115.41	381.49	5.90	-109.51
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300013206578	1	42	-2.0	-116.93	353.18	5.65	-111.28
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013206579	1	44	-2.0	-119.59	358.97	4.16	-115.43
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013206580	1	40	-2.0	-123.39	350.39	6.51	-116.88
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300013206581	1	40	-2.0	-116.45	346.64	5.98	-110.47
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])S1	REAL300013206582	1	39	-2.0	-115.46	360.85	4.57	-110.89
CC1=C(C(C)C)N=C([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])S1	REAL300013206583	1	48	-2.0	-116.17	395.70	7.21	-108.96
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])S1	REAL300013206584	1	46	-2.0	-120.54	402.90	7.90	-112.64
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])S1	REAL300013206585	1	44	-2.0	-122.85	372.06	4.79	-118.06
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)S1	REAL300013206586	1	37	-2.0	-114.62	321.23	1.45	-113.17
CSCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206587	1	37	-2.0	-115.79	337.94	4.76	-111.03
COC[C@H](NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206588	1	37	-2.0	-118.05	325.85	2.58	-115.47
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013206589	1	43	-2.0	-113.39	379.31	7.43	-105.96
CCC(C)CC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206590	1	45	-2.0	-117.86	370.64	6.38	-111.48
C=CCCCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206591	1	43	-2.0	-115.54	369.45	6.48	-109.06
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013206592	1	43	-2.0	-113.38	380.65	7.48	-105.90
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300013206593	1	46	-2.0	-118.98	391.75	8.83	-110.15
CC1=C(C(C)C)N=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013206594	1	38	-2.0	-120.66	327.15	7.72	-112.94
CC1=C(C(C)C)N=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013206595	1	43	-2.0	-124.96	360.12	7.19	-117.77
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])S1	REAL300013206596	1	41	-2.0	-129.39	337.22	7.99	-121.40
CCN(C(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(C)(C)C(=O)[O-]	REAL300013206597	1	42	-2.0	-120.53	340.25	7.33	-113.20
CCCN(C(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(C)C(=O)[O-]	REAL300013206598	1	42	-2.0	-111.61	347.43	7.40	-104.21
CC1=C(C(C)C)N=C([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013206599	1	45	-2.0	-116.78	372.35	7.94	-108.84
CC1=C(C(C)C)N=C([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])S1	REAL300013206600	1	41	-2.0	-130.30	338.53	7.43	-122.87
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013206601	1	40	-2.0	-123.42	350.66	6.41	-117.01
CCC(C)CC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206604	1	45	-2.0	-117.86	370.64	6.38	-111.48
CC1=C(C(C)C)N=C([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])S1	REAL300013206605	1	46	-2.0	-114.89	377.71	9.30	-105.59
CC(C)=CCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206606	1	43	-2.0	-116.57	366.32	6.27	-110.30
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013206607	1	42	-2.0	-114.60	367.79	5.66	-108.94
CC1=C(C(C)C)N=C([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])S1	REAL300013206608	1	46	-2.0	-111.10	379.43	6.84	-104.26
CC1=C(C(C)C)N=C([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])S1	REAL300013206609	1	45	-2.0	-110.95	365.77	8.23	-102.72
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)S1	REAL300013206610	1	39	-2.0	-126.72	347.02	4.84	-121.88
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C(C)C)=C(C)S1	REAL300013206611	1	46	-2.0	-125.85	371.01	8.85	-117.00
CC1=C(C(C)C)N=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013206612	1	46	-2.0	-114.99	379.75	9.48	-105.51
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013206615	1	42	-2.0	-114.60	367.79	5.66	-108.94
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)S1	REAL300013206616	1	39	-2.0	-119.98	345.30	4.71	-115.27
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C(C)C)=C(C)S1	REAL300013206617	1	44	-2.0	-124.71	362.88	7.15	-117.56
CC1=C(C(C)C)N=C([N-]C(=O)N2C3=C(CC2C(=O)[O-])C(C)=CC=C3)S1	REAL300013206618	0	44	-2.0	-126.99	370.41	10.37	-116.62
CC1=C(C(C)C)N=C([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])S1	REAL300013206619	0	47	-2.0	-121.43	379.74	9.80	-111.63
CC1=C(C(C)C)N=C([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])S1	REAL300013206620	1	45	-2.0	-115.37	390.76	6.38	-108.99
C=CCCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206621	1	40	-2.0	-115.60	347.95	5.70	-109.90
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300013206622	1	39	-2.0	-116.72	360.81	4.42	-112.30
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300013206623	1	40	-2.0	-109.36	378.11	6.19	-103.17
CC#CCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206624	1	38	-2.0	-116.78	341.73	5.74	-111.04
CC1=C(C(C)C)N=C([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])S1	REAL300013206625	1	41	-2.0	-117.97	343.68	5.74	-112.23
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300013206626	1	40	-2.0	-123.20	332.17	6.87	-116.33
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013206627	1	40	-2.0	-123.47	350.61	6.42	-117.05
CC1=C(C(C)C)N=C([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])S1	REAL300013206628	1	43	-2.0	-120.77	361.47	5.73	-115.04
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013206629	1	43	-2.0	-117.29	351.83	8.11	-109.18
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206630	1	42	-2.0	-117.58	344.99	5.37	-112.21
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)S1	REAL300013206631	1	41	-2.0	-124.45	349.27	2.28	-122.17
CCN(C(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013206632	1	49	-2.0	-122.72	398.46	10.52	-112.20
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)S1	REAL300013206633	1	49	-2.0	-122.11	397.16	5.69	-116.42
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)S1	REAL300013206634	1	43	-2.0	-122.92	350.55	5.98	-116.94
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)S1	REAL300013206635	1	46	-2.0	-125.77	358.45	6.62	-119.15
COCCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206636	1	40	-2.0	-113.68	348.15	3.42	-110.26
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300013206637	1	43	-2.0	-123.68	352.04	6.64	-117.04
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)S1	REAL300013206638	1	50	-2.0	-132.25	400.90	8.76	-123.49
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300013206639	1	40	-2.0	-119.20	335.93	5.68	-113.52
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)S1	REAL300013206640	1	49	-2.0	-122.16	398.82	5.57	-116.59
CC1=C(C(C)C)N=C([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])S1	REAL300013206641	1	38	-2.0	-130.74	328.52	2.93	-127.81
CC1=C(C(C)C)N=C([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])S1	REAL300013206642	1	48	-2.0	-127.61	394.94	10.32	-117.29
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCOC2)S1	REAL300013206643	1	41	-2.0	-114.26	343.10	3.34	-110.92
CC1=C(C(C)C)N=C([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])S1	REAL300013206644	1	41	-2.0	-126.74	337.46	7.45	-119.29
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300013206645	1	44	-2.0	-129.61	382.77	6.48	-123.13
CC1=C(C(C)C)N=C([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)S1	REAL300013206646	1	39	-2.0	-122.29	328.43	5.17	-117.12
CC1=C(C(C)C)N=C([N-]C(=O)N2CC(C)CCC2C(=O)[O-])S1	REAL300013206647	1	43	-2.0	-129.29	343.35	8.56	-120.73
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013206648	1	46	-2.0	-118.47	388.05	7.71	-110.76
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013206649	1	47	-2.0	-118.53	386.33	7.52	-111.01
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300013206650	1	40	-2.0	-118.43	335.13	5.25	-113.18
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)S1	REAL300013206651	1	53	-2.0	-121.39	407.89	7.05	-114.34
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013206652	1	46	-2.0	-120.39	368.21	6.55	-113.84
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300013206653	1	40	-2.0	-118.43	335.13	5.25	-113.18
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(C)C2C(=O)[O-])S1	REAL300013206654	1	40	-2.0	-126.23	337.78	6.58	-119.65
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300013206655	1	47	-2.0	-120.14	387.86	6.21	-113.93
CC1=C(C(C)C)N=C([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)S1	REAL300013206656	1	47	-2.0	-128.90	364.26	8.32	-120.58
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)S1	REAL300013206657	1	47	-2.0	-119.29	364.50	5.27	-114.02
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC3=C(C=CC=C3C)C2C(=O)[O-])S1	REAL300013206658	1	47	-2.0	-135.27	381.41	10.25	-125.02
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013206659	1	47	-2.0	-118.53	386.33	7.52	-111.01
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013206660	1	43	-2.0	-115.08	379.32	7.43	-107.65
COC1CC(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)(C(=O)[O-])C1	REAL300013206661	1	41	-2.0	-118.75	347.19	3.83	-114.92
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)S1	REAL300013206662	1	37	-2.0	-115.56	324.03	4.98	-110.58
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)(C(=O)[O-])C1	REAL300013206663	1	41	-2.0	-118.71	347.06	3.83	-114.88
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)S1	REAL300013206664	1	40	-2.0	-114.46	354.54	6.11	-108.35
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C(C)C)=C(C)S1	REAL300013206665	1	43	-2.0	-125.10	346.95	8.17	-116.93
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013206666	1	36	-2.0	-109.84	329.57	5.08	-104.76
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013206667	1	44	-2.0	-116.51	368.28	4.37	-112.14
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])S1	REAL300013206668	1	40	-2.0	-115.90	364.77	6.41	-109.49
COCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013206669	1	47	-2.0	-126.17	392.82	6.36	-119.81
CC1=C(C(C)C)N=C([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)S1	REAL300013206670	1	42	-2.0	-119.23	335.35	5.33	-113.90
CC1=C(C(C)C)N=C([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013206671	1	38	-2.0	-127.68	322.38	7.46	-120.22
CC1=C(C(C)C)N=C([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013206672	1	41	-2.0	-127.43	338.29	7.14	-120.29
CC1=C(C(C)C)N=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013206673	1	46	-2.0	-114.99	379.75	9.48	-105.51
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013206674	1	49	-2.0	-118.98	396.20	7.60	-111.38
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013206675	1	46	-2.0	-117.81	395.05	8.16	-109.65
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013206676	1	46	-2.0	-117.90	395.64	8.19	-109.71
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300013206677	1	47	-2.0	-121.51	377.20	7.17	-114.34
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013206678	1	49	-2.0	-118.86	394.82	7.56	-111.30
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013206679	1	49	-2.0	-118.93	394.80	7.55	-111.38
CC1=C(C(C)C)N=C([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])S1	REAL300013206680	1	47	-2.0	-129.02	379.50	8.41	-120.61
CC1=C(C(C)C)N=C([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])S1	REAL300013206681	1	47	-2.0	-127.84	372.69	8.18	-119.66
COC1=CC=C(CC(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(=O)[O-])C=C1	REAL300013206682	1	47	-2.0	-117.25	402.40	6.67	-110.58
C=CCSCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206683	1	41	-2.0	-116.36	372.22	6.22	-110.14
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])S1	REAL300013206684	1	44	-2.0	-112.53	393.83	7.77	-104.76
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C(C)C)=C(C)S1	REAL300013206685	1	42	-2.0	-118.37	343.33	7.97	-110.40
COC1(C(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(=O)[O-])CCC1	REAL300013206686	1	44	-2.0	-117.13	362.07	4.02	-113.11
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)S1	REAL300013206687	1	46	-2.0	-121.72	376.99	7.32	-114.40
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)S1	REAL300013206688	1	47	-2.0	-126.28	381.95	8.38	-117.90
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)S1	REAL300013206689	1	40	-2.0	-123.59	349.00	5.84	-117.75
CC1=C(C(C)C)N=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013206690	0	40	-2.0	-117.34	349.12	6.81	-110.53
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013206690	1	39	-3.0	-199.38	345.87	5.60	-193.78
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300013206691	1	52	-2.0	-123.53	426.62	8.83	-114.70
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300013206692	1	49	-2.0	-123.31	410.88	8.35	-114.96
CC1=C(C(C)C)N=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013206693	1	37	-2.0	-118.02	321.53	6.43	-111.59
CC1=C(C(C)C)N=C([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])S1	REAL300013206694	1	39	-2.0	-128.09	332.96	7.25	-120.84
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])S1	REAL300013206695	1	43	-2.0	-126.76	349.04	7.12	-119.64
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)C)=C(C)S2)C(=O)[O-])C=C1	REAL300013206696	1	47	-2.0	-120.76	401.74	6.72	-114.04
CC1=C(C(C)C)N=C([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])S1	REAL300013206697	1	47	-2.0	-131.74	372.62	9.44	-122.30
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300013206698	1	47	-2.0	-114.63	388.41	8.69	-105.94
CC1=C(C(C)C)N=C([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])S1	REAL300013206699	1	47	-2.0	-123.95	393.07	7.38	-116.57
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])S1	REAL300013206700	1	43	-2.0	-115.84	386.86	7.35	-108.49
CC1=C(C(C)C)N=C([N-]C(=O)NC(CCC(C)C)C(=O)[O-])S1	REAL300013206701	1	45	-2.0	-116.24	374.20	6.44	-109.80
CC1=C(C(C)C)N=C([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])S1	REAL300013206702	1	44	-2.0	-130.10	364.70	7.90	-122.20
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013206703	1	44	-2.0	-116.51	368.28	4.37	-112.14
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)C)=C(C)S2)C1	REAL300013206704	1	41	-2.0	-119.47	359.57	7.53	-111.94
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)S1	REAL300013206705	1	37	-2.0	-111.21	318.42	0.88	-110.33
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)S1	REAL300013206706	1	44	-2.0	-125.45	351.23	7.16	-118.29
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)S1	REAL300013206707	1	41	-2.0	-124.20	338.36	6.26	-117.94
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300013206708	1	44	-2.0	-124.73	364.27	6.83	-117.90
CC1=C(C(C)C)N=C([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300013206709	1	50	-2.0	-129.93	391.58	8.85	-121.08
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCC2)S1	REAL300013206710	1	43	-2.0	-119.23	350.68	5.87	-113.36
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206711	1	40	-2.0	-118.56	344.48	3.59	-114.97
CC1=C(C(C)C)N=C([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)S1	REAL300013206712	1	40	-2.0	-124.04	338.87	6.03	-118.01
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013206713	1	43	-2.0	-119.09	374.91	9.52	-109.57
CC1=C(C(C)C)N=C([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])S1	REAL300013206714	1	43	-2.0	-127.83	355.32	7.21	-120.62
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])S1	REAL300013206715	1	44	-2.0	-120.45	376.25	9.65	-110.80
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])S1	REAL300013206716	1	40	-2.0	-119.03	338.40	7.89	-111.14
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])S1	REAL300013206717	1	37	-2.0	-120.02	326.76	6.46	-113.56
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013206718	1	43	-2.0	-115.08	379.32	7.43	-107.65
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013206719	1	40	-2.0	-115.47	363.49	6.38	-109.09
CC1=C(C(C)C)N=C([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])S1	REAL300013206720	1	40	-2.0	-112.63	345.65	7.05	-105.58
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)S1	REAL300013206721	1	44	-2.0	-121.80	378.81	7.06	-114.74
CC1=C(C(C)C)N=C([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])S1	REAL300013206722	1	48	-2.0	-123.24	402.28	8.73	-114.51
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013206723	1	40	-2.0	-115.47	363.49	6.38	-109.09
CC1=C(C(C)C)N=C([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013206724	1	44	-2.0	-127.67	355.59	7.59	-120.08
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013206725	1	41	-2.0	-120.38	362.82	3.71	-116.67
COCCCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206726	1	43	-2.0	-116.60	369.64	4.20	-112.40
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)C)=C(C)S1	REAL300013206727	1	42	-2.0	-109.19	348.47	7.57	-101.62
CCOCC(NC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013206728	1	40	-2.0	-118.79	348.18	3.57	-115.22
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S1	REAL300013206729	1	45	-2.0	-117.14	364.44	6.78	-110.36
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)S1	REAL300013206730	1	44	-2.0	-122.31	364.97	4.49	-117.82
CC1=C(C(C)C)N=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013206731	1	44	-2.0	-126.04	371.36	7.69	-118.35
CC1=C(C(C)C)N=C([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])S1	REAL300013206732	1	41	-2.0	-124.29	338.45	5.99	-118.30
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])S1	REAL300013206733	1	43	-2.0	-108.79	359.60	7.63	-101.16
CC1=C(C(C)C)N=C([N-]C(=O)NC(CCC#N)C(=O)[O-])S1	REAL300013206734	1	37	-2.0	-109.76	334.47	4.88	-104.88
CC1=C(C(C)C)N=C([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)S1	REAL300013206735	1	54	-2.0	-126.19	407.74	8.58	-117.61
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])S1	REAL300013206736	1	46	-2.0	-120.21	399.64	7.77	-112.44
CC1=C(C(C)C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)S1	REAL300013206737	1	40	-2.0	-118.75	355.19	7.60	-111.15
CC1=C(C(C)C)N=C([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])S1	REAL300013206738	1	51	-2.0	-130.20	390.98	8.27	-121.93
CC1=C(C(C)C)N=C([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300013206739	1	42	-2.0	-113.90	384.64	5.98	-107.92
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)C)=C(C)S2)C1	REAL300013206740	1	44	-2.0	-119.32	370.82	6.39	-112.93
C=CCN(C(=O)[N-]C1=NC(CC)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013206741	1	44	-2.0	-104.19	373.87	9.74	-94.45
CCC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300013206742	1	37	-2.0	-115.62	348.01	6.35	-109.27
CCC1=CSC([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300013206743	1	43	-2.0	-119.27	377.08	8.18	-111.09
CCC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013206744	1	43	-2.0	-115.30	355.21	6.30	-109.00
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013206745	1	40	-2.0	-115.67	346.11	8.86	-106.81
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300013206746	1	37	-2.0	-119.83	332.22	5.92	-113.91
CCC1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013206747	1	30	-2.0	-106.33	290.57	3.86	-102.47
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300013206748	1	40	-2.0	-122.66	356.97	7.44	-115.22
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300013206749	1	35	-2.0	-112.68	302.08	4.89	-107.79
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC)=CS1	REAL300013206750	1	37	-2.0	-107.32	319.98	4.78	-102.54
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])C(CC)C2=CC=CC=C2)=N1	REAL300013206751	1	43	-2.0	-115.73	361.02	8.88	-106.85
CCC1=CSC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300013206752	1	33	-2.0	-107.46	314.53	6.34	-101.12
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013206753	1	40	-2.0	-116.64	328.61	5.30	-111.34
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013206754	1	35	-2.0	-116.69	321.83	2.39	-114.30
CCC1=CSC([N-]C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=N1	REAL300013206755	1	37	-2.0	-108.53	366.78	7.13	-101.40
CCC1=CSC([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])=N1	REAL300013206756	1	41	-2.0	-108.75	347.13	6.18	-102.57
CCC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=N1	REAL300013206757	1	41	-2.0	-127.55	350.29	9.44	-118.11
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013206758	1	38	-2.0	-115.67	318.79	2.96	-112.71
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300013206759	1	34	-2.0	-109.70	323.50	5.37	-104.33
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300013206760	1	34	-2.0	-110.35	333.40	5.81	-104.54
CCC1=CSC([N-]C(=O)N2CCC(OC)CC2C(=O)[O-])=N1	REAL300013206761	1	38	-2.0	-124.16	319.96	5.44	-118.72
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300013206762	1	38	-2.0	-112.16	318.75	2.99	-109.17
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=N1	REAL300013206763	1	37	-2.0	-112.68	337.73	5.86	-106.82
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300013206764	1	39	-2.0	-118.24	346.33	5.04	-113.20
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300013206765	1	40	-2.0	-121.76	353.21	6.53	-115.23
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=N1	REAL300013206766	1	40	-2.0	-121.58	349.22	6.45	-115.13
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)=N1	REAL300013206767	1	39	-2.0	-117.32	351.27	2.29	-115.03
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)=N1	REAL300013206768	1	38	-2.0	-115.94	356.56	5.02	-110.92
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013206769	1	34	-2.0	-112.69	327.54	5.76	-106.93
CCC1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013206770	1	32	-2.0	-117.14	287.54	6.47	-110.67
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300013206771	1	40	-2.0	-119.64	310.03	5.87	-113.77
CCC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013206772	1	37	-2.0	-113.91	332.40	6.12	-107.79
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013206773	1	37	-2.0	-115.42	333.91	8.21	-107.21
CCC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013206774	1	34	-2.0	-119.68	311.05	5.16	-114.52
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013206775	1	34	-2.0	-119.53	310.39	5.20	-114.33
CCC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013206776	1	37	-2.0	-113.91	332.40	6.12	-107.79
CCC1=CSC([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300013206777	1	38	-2.0	-126.68	325.90	8.66	-118.02
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300013206778	1	31	-2.0	-116.67	302.67	4.26	-112.41
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=N1	REAL300013206779	1	37	-2.0	-105.97	344.56	8.44	-97.53
CCC1=CSC([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013206780	1	41	-2.0	-119.58	361.49	6.21	-113.37
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=N1	REAL300013206781	1	45	-2.0	-119.57	392.89	6.82	-112.75
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300013206782	1	34	-2.0	-112.74	332.11	5.87	-106.87
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300013206783	1	37	-2.0	-105.66	334.24	7.99	-97.67
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013206784	1	38	-2.0	-122.30	328.99	6.26	-116.04
CCC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300013206785	1	37	-2.0	-104.13	352.41	7.98	-96.15
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300013206786	1	34	-2.0	-118.47	321.09	5.34	-113.13
CCC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013206787	1	37	-2.0	-121.35	319.12	5.88	-115.47
CCCCCCC(C)(NC(=O)[N-]C1=NC(CC)=CS1)C(=O)[O-]	REAL300013206788	1	45	-2.0	-115.77	364.99	6.47	-109.30
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)=N1	REAL300013206789	1	38	-2.0	-117.00	355.99	6.06	-110.94
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013206790	1	34	-2.0	-112.69	327.54	5.76	-106.93
CCC1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013206791	1	40	-2.0	-118.75	315.79	6.96	-111.79
CCC1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013206792	1	40	-2.0	-115.39	356.31	8.98	-106.41
CCC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013206793	1	37	-2.0	-113.44	320.58	7.15	-106.29
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300013206794	1	38	-2.0	-126.32	325.71	6.14	-120.18
CCC1=CSC([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013206795	1	41	-2.0	-119.58	366.96	6.11	-113.47
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300013206796	1	35	-2.0	-118.62	321.82	2.38	-116.24
CCC1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013206797	1	40	-2.0	-115.39	356.31	8.98	-106.41
CCC1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013206798	1	40	-2.0	-118.75	315.79	6.96	-111.79
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(CC)CC2)=N1	REAL300013206799	1	43	-2.0	-119.40	343.44	6.46	-112.94
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013206800	1	38	-2.0	-113.59	319.68	5.09	-108.50
CCC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300013206801	1	37	-2.0	-111.83	351.01	6.86	-104.97
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300013206802	1	34	-2.0	-119.98	323.01	5.60	-114.38
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300013206803	1	34	-2.0	-123.81	315.44	5.26	-118.55
CCC1=CSC([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013206804	1	38	-2.0	-118.99	327.99	7.92	-111.07
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=N1	REAL300013206805	1	40	-2.0	-120.80	341.78	6.30	-114.50
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=N1	REAL300013206806	1	38	-2.0	-116.08	346.76	4.53	-111.55
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013206807	1	40	-2.0	-104.94	366.62	8.92	-96.02
CCC1=CSC([N-]C(=O)N(C(COC)C(=O)[O-])C2CC2)=N1	REAL300013206808	1	38	-2.0	-105.33	322.27	6.33	-99.00
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)=N1	REAL300013206809	1	37	-2.0	-111.32	355.20	8.82	-102.50
CCCN(C(=O)[N-]C1=NC(CC)=CS1)C(COC)C(=O)[O-]	REAL300013206810	1	40	-2.0	-110.09	335.12	5.60	-104.49
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)=N1	REAL300013206811	1	38	-2.0	-117.10	340.31	4.54	-112.56
CCC1=CSC([N-]C(=O)NC(CC)(COC)C(=O)[O-])=N1	REAL300013206812	1	37	-2.0	-119.03	313.92	3.57	-115.46
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)=N1	REAL300013206813	1	37	-2.0	-113.92	320.85	1.20	-112.72
CCC1=CSC([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013206814	1	40	-2.0	-116.42	352.48	7.24	-109.18
CCC1=CSC([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013206815	1	40	-2.0	-122.64	335.84	6.75	-115.89
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)=N1	REAL300013206816	1	44	-2.0	-118.76	360.38	4.37	-114.39
CCC1=CSC([N-]C(=O)NC(CC2(OC)CCC2)C(=O)[O-])=N1	REAL300013206817	1	41	-2.0	-116.56	344.97	4.51	-112.05
CCC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300013206818	1	41	-2.0	-115.87	349.47	6.34	-109.53
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013206819	1	38	-2.0	-113.59	319.68	5.09	-108.50
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300013206820	1	40	-2.0	-114.89	328.65	7.47	-107.42
CCC1=CSC([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)=N1	REAL300013206821	1	40	-2.0	-119.71	318.19	5.60	-114.11
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300013206822	1	38	-2.0	-121.22	340.54	4.46	-116.76
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)=N1	REAL300013206823	1	34	-2.0	-119.00	326.15	5.67	-113.33
CCC1=CSC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300013206824	1	35	-2.0	-115.32	310.61	6.10	-109.22
CCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300013206825	1	38	-2.0	-121.35	340.51	4.46	-116.89
CCC1=CSC([N-]C(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])=N1	REAL300013206826	1	40	-2.0	-120.21	342.23	7.06	-113.15
CCC1=CSC([N-]C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])=N1	REAL300013206827	1	41	-2.0	-116.96	362.50	5.48	-111.48
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300013206828	1	43	-2.0	-120.89	332.31	6.08	-114.81
CCC1=CSC([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=N1	REAL300013206829	1	40	-2.0	-113.43	353.16	6.73	-106.70
CCC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300013206830	1	39	-2.0	-120.74	347.32	6.55	-114.19
CCC1=CSC([N-]C(=O)N2CC(OC)CC2(C)C(=O)[O-])=N1	REAL300013206831	1	38	-2.0	-119.21	325.79	4.58	-114.63
CCC1=CSC([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300013206832	1	41	-2.0	-114.70	341.80	4.67	-110.03
C=C(Cl)CC(NC(=O)[N-]C1=NC(CC)=CS1)C(=O)[O-]	REAL300013206833	1	31	-2.0	-109.83	303.11	4.28	-105.55
CCC1=CSC([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013206834	1	40	-2.0	-113.33	342.84	6.28	-107.05
CCC1=CSC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013206835	1	31	-2.0	-109.60	288.43	5.22	-104.38
CCC1=CSC([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300013206836	1	41	-2.0	-112.98	345.48	3.93	-109.05
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013206837	1	38	-2.0	-115.67	318.79	2.96	-112.71
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013206838	1	34	-2.0	-119.53	310.39	5.20	-114.33
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300013206839	1	37	-2.0	-114.70	349.50	6.24	-108.46
CCC1=CSC([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])=N1	REAL300013206840	1	33	-2.0	-111.99	319.86	3.27	-108.72
CCC1=CSC([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])=N1	REAL300013206841	1	42	-2.0	-112.57	356.69	6.00	-106.57
CCC1=CSC([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300013206842	1	40	-2.0	-117.13	362.86	6.56	-110.57
CCC1=CSC([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300013206843	1	38	-2.0	-118.45	328.86	4.06	-114.39
CCC1=CSC([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013206844	1	37	-2.0	-109.85	339.71	6.17	-103.68
CCC1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013206845	1	37	-2.0	-109.98	339.66	6.17	-103.81
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=N1	REAL300013206846	1	40	-2.0	-127.52	351.76	7.32	-120.20
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300013206847	1	38	-2.0	-121.23	354.82	5.06	-116.17
CCC1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013206848	1	32	-2.0	-117.14	287.54	6.47	-110.67
CCC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013206849	1	37	-2.0	-121.35	319.12	5.88	-115.47
CCC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300013206850	1	37	-2.0	-118.40	340.41	6.49	-111.91
CCC1=CSC([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013206851	1	39	-2.0	-113.37	332.75	6.69	-106.68
CCC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013206852	1	34	-2.0	-119.68	311.05	5.16	-114.52
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013206853	1	37	-2.0	-111.06	349.55	6.25	-104.81
CCC1=CSC([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])=N1	REAL300013206855	1	40	-2.0	-111.45	338.11	8.04	-103.41
CCC1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013206856	1	36	-2.0	-111.11	328.41	4.33	-106.78
CCC1=CSC([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])=N1	REAL300013206857	1	40	-2.0	-108.18	340.26	5.54	-102.64
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1	REAL300013206858	1	33	-2.0	-122.71	307.17	3.66	-119.05
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC)=CS1	REAL300013206859	1	40	-2.0	-122.43	330.06	7.44	-114.99
CCC1=CSC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013206860	1	40	-2.0	-111.43	338.67	8.17	-103.26
CCC1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013206862	1	36	-2.0	-111.11	328.41	4.33	-106.78
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300013206863	1	33	-2.0	-116.30	305.92	3.38	-112.92
CCC1=CSC([N-]C(=O)N2CCCC2(COC)C(=O)[O-])=N1	REAL300013206865	1	38	-2.0	-121.32	321.47	5.82	-115.50
CCC1=CSC([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=N1	REAL300013206866	0	38	-2.0	-123.51	329.42	9.05	-114.46
CCC1=CSC([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])=N1	REAL300013206867	0	41	-2.0	-117.84	340.13	8.55	-109.29
CCC1=CSC([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013206868	1	39	-2.0	-111.79	350.90	5.17	-106.62
CCC1=CSC([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300013206869	1	33	-2.0	-113.25	319.81	3.10	-110.15
CCC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300013206870	1	37	-2.0	-115.14	351.29	6.48	-108.66
CCC1=CSC([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300013206871	1	34	-2.0	-105.98	338.51	4.93	-101.05
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)=N1	REAL300013206872	1	31	-2.0	-111.28	323.31	4.87	-106.41
CCC1=CSC([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=N1	REAL300013206873	1	35	-2.0	-114.18	303.96	4.40	-109.78
CCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013206874	1	34	-2.0	-119.70	311.00	5.17	-114.53
CCC1=CSC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300013206875	1	37	-2.0	-120.30	324.83	4.44	-115.86
CCC1=CSC([N-]C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013206876	1	43	-2.0	-119.28	358.71	9.26	-110.02
CCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N1	REAL300013206877	1	43	-2.0	-118.16	355.33	4.27	-113.89
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300013206878	1	40	-2.0	-121.86	318.74	5.34	-116.52
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=N1	REAL300013206879	1	44	-2.0	-129.09	360.04	7.46	-121.63
CCC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N1	REAL300013206880	1	43	-2.0	-118.44	358.91	4.30	-114.14
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)=N1	REAL300013206881	1	48	-2.0	-122.21	412.26	7.40	-114.81
CCC1=CSC([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013206882	1	42	-2.0	-124.08	355.43	8.92	-115.16
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=N1	REAL300013206883	1	38	-2.0	-125.94	342.97	5.24	-120.70
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013206884	1	40	-2.0	-114.94	348.18	6.43	-108.51
CCC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013206885	1	41	-2.0	-114.95	347.46	6.30	-108.65
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=N1	REAL300013206886	1	47	-2.0	-117.89	368.29	5.79	-112.10
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013206887	1	40	-2.0	-116.64	328.61	5.30	-111.34
CCC1=CSC([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300013206888	1	41	-2.0	-116.56	347.10	4.83	-111.73
CCC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300013206889	1	41	-2.0	-124.95	322.94	6.96	-117.99
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=N1	REAL300013206890	1	41	-2.0	-115.88	324.90	4.01	-111.87
CCC1=CSC([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013206891	1	40	-2.0	-116.11	371.48	7.37	-108.74
CCC1=CSC([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])=N1	REAL300013206892	1	41	-2.0	-131.57	341.80	9.00	-122.57
CCC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013206893	1	41	-2.0	-114.95	347.46	6.30	-108.65
CCC1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013206894	1	37	-2.0	-111.51	339.72	6.18	-105.33
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013206895	1	31	-2.0	-112.27	284.59	3.72	-108.55
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300013206896	1	34	-2.0	-110.59	312.84	4.86	-105.73
CCC1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013206897	1	30	-2.0	-106.33	290.57	3.86	-102.47
CCC1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013206898	1	38	-2.0	-112.89	328.44	3.17	-109.72
CCC1=CSC([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300013206899	1	34	-2.0	-112.31	325.26	5.16	-107.15
CCC1=CSC([N-]C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013206900	1	41	-2.0	-122.54	351.83	5.05	-117.49
CCC1=CSC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013206901	1	40	-2.0	-111.43	338.67	8.17	-103.26
CCC1=CSC([N-]C(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300013206902	1	37	-2.0	-109.91	353.70	6.75	-103.16
CCC1=CSC([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])=N1	REAL300013206903	1	41	-2.0	-116.11	372.24	5.77	-110.34
CCC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013206904	1	43	-2.0	-115.30	355.21	6.30	-109.00
CCC1=CSC([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013206905	1	40	-2.0	-114.18	355.44	6.90	-107.28
CCC1=CSC([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013206906	1	40	-2.0	-114.16	356.04	6.94	-107.22
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300013206907	1	41	-2.0	-117.58	335.32	5.76	-111.82
CCC1=CSC([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013206908	1	43	-2.0	-115.15	354.97	6.38	-108.77
CCC1=CSC([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013206909	1	43	-2.0	-115.12	354.37	6.31	-108.81
CCC1=CSC([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300013206910	1	41	-2.0	-124.27	337.77	7.11	-117.16
CCC1=CSC([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300013206911	1	41	-2.0	-124.32	334.29	6.84	-117.48
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)=N1	REAL300013206912	1	41	-2.0	-119.97	375.18	5.79	-114.18
CCC1=CSC([N-]C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])=N1	REAL300013206913	1	41	-2.0	-114.16	362.72	5.41	-108.75
C=CCSCC(NC(=O)[N-]C1=NC(CC)=CS1)C(=O)[O-]	REAL300013206914	1	35	-2.0	-112.71	332.59	4.96	-107.75
CCC1=CSC([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=N1	REAL300013206915	1	38	-2.0	-109.10	353.23	6.53	-102.57
CCC1=CSC([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=N1	REAL300013206916	1	41	-2.0	-125.32	372.69	6.16	-119.16
CCC1=CSC([N-]C(=O)NC(CC2=CNC3=CC=C(OC)C=C23)C(=O)[O-])=N1	REAL300013206917	1	45	-2.0	-125.53	391.77	5.46	-120.07
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2(OC)CCC2)=N1	REAL300013206918	1	38	-2.0	-113.28	321.81	2.72	-110.56
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=N1	REAL300013206919	1	40	-2.0	-114.95	336.78	6.05	-108.90
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=N1	REAL300013206920	1	41	-2.0	-122.86	342.29	7.14	-115.72
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300013206921	1	34	-2.0	-118.22	307.82	4.52	-113.70
CCC1=CSC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013206922	0	34	-2.0	-115.55	308.12	5.49	-110.06
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013206922	1	33	-3.0	-194.17	305.21	4.26	-189.91
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300013206923	1	46	-2.0	-119.61	387.02	7.57	-112.04
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300013206924	1	43	-2.0	-119.46	371.28	7.10	-112.36
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(CC)=CS2)C(=O)[O-])C=C1	REAL300013206925	1	41	-2.0	-117.02	362.12	5.46	-111.56
CCC1=CSC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300013206926	1	41	-2.0	-127.28	331.71	8.04	-119.24
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300013206927	1	41	-2.0	-117.14	353.03	7.04	-110.10
CCC1=CSC([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013206928	1	41	-2.0	-120.49	353.45	6.12	-114.37
CCC1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=N1	REAL300013206929	1	37	-2.0	-112.47	347.26	6.09	-106.38
CCC1=CSC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300013206930	1	38	-2.0	-125.94	325.12	6.63	-119.31
CCC1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013206931	1	38	-2.0	-112.89	328.44	3.17	-109.72
CCC1=CSC([N-]C(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])=N1	REAL300013206932	1	37	-2.0	-111.25	354.37	6.78	-104.47
CCC1=CSC([N-]C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])=N1	REAL300013206933	1	35	-2.0	-116.36	319.73	6.07	-110.29
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300013206934	1	38	-2.0	-120.41	312.70	5.58	-114.83
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300013206935	1	38	-2.0	-120.02	318.61	5.32	-114.70
CCC1=CSC([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=N1	REAL300013206936	1	44	-2.0	-124.87	351.92	7.62	-117.25
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013206937	1	37	-2.0	-115.42	333.91	8.21	-107.21
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300013206938	1	44	-2.0	-120.34	385.00	8.65	-111.69
CCC1=CSC([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=N1	REAL300013206939	1	38	-2.0	-117.02	336.59	8.39	-108.63
CCC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013206940	1	40	-2.0	-113.60	357.86	6.88	-106.72
CCC1=CSC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300013206941	1	34	-2.0	-115.69	298.87	6.55	-109.14
CCC1=CSC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013206942	1	31	-2.0	-116.69	287.14	5.20	-111.49
CCC1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013206943	1	37	-2.0	-111.51	339.72	6.18	-105.33
CCC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013206944	1	34	-2.0	-111.86	323.88	5.11	-106.75
CCC1=CSC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300013206945	1	34	-2.0	-109.30	304.65	5.73	-103.57
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=N1	REAL300013206946	1	38	-2.0	-118.30	337.81	5.75	-112.55
CCC1=CSC([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=N1	REAL300013206947	1	42	-2.0	-119.66	362.72	7.46	-112.20
CCC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013206948	1	34	-2.0	-111.86	323.88	5.11	-106.75
CCC1=CSC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013206949	1	38	-2.0	-124.64	313.76	6.47	-118.17
CCC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013206950	1	35	-2.0	-116.67	322.03	2.31	-114.36
CCC1=CSC([N-]C(=O)NC(CCCOC)C(=O)[O-])=N1	REAL300013206951	1	37	-2.0	-112.89	330.03	2.93	-109.96
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300013206952	1	38	-2.0	-117.60	326.12	3.65	-113.95
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300013206953	1	34	-2.0	-115.30	332.34	5.78	-109.52
CCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013206954	1	38	-2.0	-122.30	328.99	6.26	-116.04
CCC1=CSC([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=N1	REAL300013206955	1	37	-2.0	-105.54	318.16	6.28	-99.26
CCC1=CSC([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=N1	REAL300013206956	1	48	-2.0	-122.87	367.41	7.20	-115.67
CCC1=CSC([N-]C(=O)NC(CC2=CC=C(Br)N=C2)C(=O)[O-])=N1	REAL300013206957	1	36	-2.0	-110.40	349.62	4.80	-105.60
CCC1=CSC([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013206958	1	40	-2.0	-116.46	357.75	6.49	-109.97
CCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1	REAL300013206959	1	34	-2.0	-113.24	315.58	6.35	-106.89
CCC1=CSC([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=N1	REAL300013206960	1	45	-2.0	-126.63	350.02	6.96	-119.67
CCC1=CSC([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300013206961	1	36	-2.0	-110.31	344.79	4.79	-105.52
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC)=CS2)C1	REAL300013206962	1	38	-2.0	-121.95	330.59	5.02	-116.93
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3=CC=C4OCCC4=C3)=N2)(C(=O)[O-])C1	REAL300013207155	0	46	-2.0	-134.16	388.39	9.04	-125.12
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2	REAL300013207348	1	46	-2.0	-117.17	382.79	7.44	-109.73
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCSCC1)=N2	REAL300013207349	1	51	-2.0	-124.40	394.07	8.61	-115.79
COCC(C)(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207350	1	50	-2.0	-128.95	389.25	6.36	-122.59
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207351	1	53	-2.0	-116.73	411.54	8.49	-108.24
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207352	1	52	-2.0	-121.69	403.06	10.14	-111.55
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013207353	1	47	-2.0	-122.13	372.16	9.21	-112.92
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOC1)=N2	REAL300013207354	1	48	-2.0	-125.13	372.51	5.22	-119.91
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)=N2	REAL300013207355	1	56	-2.0	-128.30	419.93	9.03	-119.27
C=CCOCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207356	1	51	-2.0	-126.61	412.99	6.54	-120.07
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)C1C(=O)[O-])=N2	REAL300013207357	1	51	-2.0	-143.58	390.31	6.84	-136.74
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207358	1	50	-2.0	-124.46	391.37	7.60	-116.86
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)=N2	REAL300013207359	1	54	-2.0	-124.26	413.97	6.76	-117.50
COC1CCN(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C(C(=O)[O-])C1	REAL300013207360	1	54	-2.0	-140.39	410.04	9.37	-131.02
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCOC1)=N2	REAL300013207361	1	54	-2.0	-124.00	411.33	6.57	-117.43
CC1CCN(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C(C(=O)[O-])C1	REAL300013207362	1	53	-2.0	-139.98	393.54	10.60	-129.38
CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207363	1	49	-2.0	-123.31	381.04	7.30	-116.01
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013207364	1	50	-2.0	-138.82	379.31	10.21	-128.61
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013207365	1	48	-2.0	-130.97	379.54	10.20	-120.77
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013207366	1	53	-2.0	-131.35	396.38	8.92	-122.43
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C(=O)[O-])=N2	REAL300013207367	1	47	-2.0	-131.97	367.48	8.76	-123.21
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013207368	1	50	-2.0	-130.64	381.87	7.82	-122.82
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCCC1)=N2	REAL300013207369	1	56	-2.0	-131.88	402.04	9.58	-122.30
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(=O)[O-])=N2	REAL300013207370	1	40	-2.0	-106.18	324.24	4.92	-101.26
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013207371	1	50	-2.0	-131.62	402.80	8.90	-122.72
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013207372	1	50	-2.0	-131.70	403.04	8.83	-122.87
CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207373	1	46	-2.0	-122.64	366.03	6.77	-115.87
CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207374	1	49	-2.0	-123.31	381.04	7.30	-116.01
CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207375	1	43	-2.0	-119.49	345.09	7.88	-111.61
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013207376	1	44	-2.0	-126.38	356.46	2.58	-123.80
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013207377	1	44	-2.0	-126.38	356.46	2.58	-123.80
CC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207378	1	43	-2.0	-107.37	345.03	5.74	-101.63
CCC(C)C(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207379	1	52	-2.0	-124.50	399.06	7.92	-116.58
CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207380	1	43	-2.0	-119.49	345.09	7.88	-111.61
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013207381	1	50	-2.0	-138.82	379.31	10.21	-128.61
CCCC(C)(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207382	1	52	-2.0	-126.89	392.49	7.83	-119.06
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207383	1	49	-2.0	-121.68	377.14	9.19	-112.49
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013207384	1	47	-2.0	-122.13	372.16	9.21	-112.92
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207385	1	47	-2.0	-120.67	379.72	9.42	-111.25
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207386	1	52	-2.0	-121.69	403.06	10.14	-111.55
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N2	REAL300013207387	1	46	-2.0	-104.00	357.60	6.14	-97.86
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1CC1)=N2	REAL300013207388	1	50	-2.0	-128.90	383.72	7.91	-120.99
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CS1)=N2	REAL300013207389	1	47	-2.0	-128.19	394.01	7.94	-120.25
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013207390	1	53	-2.0	-131.35	396.38	8.92	-122.43
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207391	1	49	-2.0	-121.68	377.14	9.19	-112.49
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207392	1	49	-2.0	-120.49	388.40	9.62	-110.87
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207393	1	46	-2.0	-120.61	366.90	8.86	-111.75
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013207394	1	44	-2.0	-126.39	356.46	2.58	-123.81
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207395	1	52	-2.0	-125.54	397.38	7.76	-117.78
CC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207396	1	43	-2.0	-107.37	345.03	5.74	-101.63
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013207397	1	50	-2.0	-130.64	381.87	7.82	-122.82
CCC(C)(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207398	1	49	-2.0	-125.96	370.99	7.07	-118.89
C[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207399	1	43	-2.0	-107.33	345.04	5.74	-101.59
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207400	1	46	-2.0	-120.61	366.90	8.86	-111.75
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013207401	1	48	-2.0	-133.63	378.70	5.38	-128.25
C[C@@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207402	1	43	-2.0	-107.35	345.03	5.74	-101.61
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC1)=N2	REAL300013207403	1	44	-2.0	-130.37	351.19	6.89	-123.48
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCOCC1C(=O)[O-])=N2	REAL300013207404	1	48	-2.0	-132.25	370.62	7.79	-124.46
CN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013207405	1	56	-2.0	-130.55	407.79	10.64	-119.91
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013207406	1	47	-2.0	-124.74	373.76	7.24	-117.50
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207407	1	50	-2.0	-121.37	398.28	8.03	-113.34
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013207408	1	47	-2.0	-132.42	368.21	8.50	-123.92
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC[C@@H]1C(=O)[O-])=N2	REAL300013207409	1	50	-2.0	-138.93	379.41	10.25	-128.68
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013207410	1	48	-2.0	-131.15	379.44	5.10	-126.05
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207411	1	46	-2.0	-113.46	360.00	8.10	-105.36
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013207412	1	47	-2.0	-132.41	368.21	8.51	-123.90
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC1)=N2	REAL300013207413	1	47	-2.0	-130.74	368.02	7.41	-123.33
C=CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207414	1	47	-2.0	-122.51	379.34	7.22	-115.29
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(C)C(=O)[O-])=N2	REAL300013207415	1	50	-2.0	-131.34	384.61	9.32	-122.02
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCCCC1C(=O)[O-])=N2	REAL300013207416	1	53	-2.0	-137.83	394.33	10.97	-126.86
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013207417	1	47	-2.0	-124.74	373.76	7.24	-117.50
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207418	1	46	-2.0	-114.06	359.07	8.11	-105.95
CCCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207419	1	52	-2.0	-123.61	409.86	8.30	-115.31
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@]1(C)C(=O)[O-])=N2	REAL300013207420	1	50	-2.0	-131.40	384.61	9.32	-122.08
CN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013207421	1	56	-2.0	-130.55	407.79	10.64	-119.91
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013207422	1	53	-2.0	-121.09	403.24	10.43	-110.66
COCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207423	1	47	-2.0	-125.40	378.72	4.98	-120.42
CCCCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207424	1	55	-2.0	-123.75	431.36	9.08	-114.67
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207425	1	52	-2.0	-125.32	396.04	7.88	-117.44
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)=N2	REAL300013207426	1	54	-2.0	-121.23	411.68	8.76	-112.47
CN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C1(C(=O)[O-])CCCC1	REAL300013207427	1	53	-2.0	-132.22	394.43	9.69	-122.53
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C1CC1	REAL300013207428	1	50	-2.0	-113.56	384.63	10.56	-103.00
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C1CC1	REAL300013207429	1	53	-2.0	-118.18	401.71	10.77	-107.41
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207430	1	49	-2.0	-120.49	388.40	9.62	-110.87
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C1CC1	REAL300013207431	1	54	-2.0	-115.37	414.26	9.99	-105.38
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C1CCC1	REAL300013207432	1	53	-2.0	-113.00	401.43	10.03	-102.97
CCCN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(COC)C(=O)[O-]	REAL300013207433	1	56	-2.0	-128.01	430.97	10.47	-117.54
CCCN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(CC)C(=O)[O-]	REAL300013207434	1	55	-2.0	-126.91	417.52	11.15	-115.76
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(=O)[O-])=N2	REAL300013207435	1	40	-2.0	-106.18	324.24	4.92	-101.26
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207436	1	52	-2.0	-124.66	404.73	8.13	-116.53
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOCC1)=N2	REAL300013207437	1	51	-2.0	-126.63	387.80	6.44	-120.19
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207438	1	50	-2.0	-123.33	400.34	8.10	-115.23
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CF)C(=O)[O-])=N2	REAL300013207439	1	43	-2.0	-106.83	348.65	5.76	-101.07
CCC(CC)(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207440	1	52	-2.0	-128.04	387.39	7.98	-120.06
CCC(COC)(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207441	1	53	-2.0	-130.97	405.92	7.27	-123.70
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013207442	1	50	-2.0	-124.49	398.47	8.30	-116.19
COCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207443	1	50	-2.0	-121.04	399.70	5.83	-115.21
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N2	REAL300013207444	1	46	-2.0	-117.38	378.37	7.06	-110.32
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N2	REAL300013207445	1	46	-2.0	-117.69	373.45	6.90	-110.79
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)=N2	REAL300013207446	1	54	-2.0	-121.23	411.68	8.76	-112.47
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCCC1)=N2	REAL300013207447	1	56	-2.0	-122.76	420.63	11.14	-111.62
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)(C(=O)[O-])CC1	REAL300013207448	1	56	-2.0	-132.23	410.21	9.29	-122.94
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N2	REAL300013207449	1	49	-2.0	-120.49	377.58	7.22	-113.27
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207450	1	46	-2.0	-113.45	359.51	8.00	-105.45
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])C3)=N2	REAL300013207451	1	48	-2.0	-136.62	373.81	9.34	-127.28
COC1CN(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C(C)(C(=O)[O-])C1	REAL300013207452	1	54	-2.0	-130.59	417.77	8.28	-122.31
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207453	1	52	-2.0	-125.32	396.04	7.88	-117.44
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207454	1	47	-2.0	-120.43	396.13	7.80	-112.63
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207455	1	50	-2.0	-122.96	400.71	7.94	-115.02
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C3CCC1(C(=O)[O-])CC3)=N2	REAL300013207456	1	51	-2.0	-136.22	387.35	10.09	-126.13
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])=N2	REAL300013207457	1	48	-2.0	-130.69	379.54	5.11	-125.58
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])=N2	REAL300013207458	1	47	-2.0	-121.04	380.41	8.93	-112.11
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013207459	1	47	-2.0	-126.24	373.94	8.86	-117.38
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C1	REAL300013207460	1	48	-2.0	-133.13	380.71	9.21	-123.92
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207461	1	52	-2.0	-124.66	404.73	8.13	-116.53
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)=N2	REAL300013207462	1	54	-2.0	-124.26	413.97	6.76	-117.50
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013207463	1	50	-2.0	-131.70	403.04	8.83	-122.87
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013207464	1	50	-2.0	-124.49	398.47	8.30	-116.19
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207465	1	58	-2.0	-124.00	448.09	9.61	-114.39
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCO1)C(=O)[O-])=N2	REAL300013207466	1	54	-2.0	-131.14	422.81	7.20	-123.94
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207467	1	47	-2.0	-127.69	375.02	3.65	-124.04
CSCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207468	1	47	-2.0	-123.49	390.33	7.16	-116.33
COC[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207469	1	47	-2.0	-125.38	378.72	4.98	-120.40
CC[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207470	1	46	-2.0	-122.82	366.86	6.75	-116.07
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207471	1	55	-2.0	-126.03	423.79	8.75	-117.28
C=CCCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207472	1	53	-2.0	-123.26	421.84	8.88	-114.38
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013207473	1	48	-2.0	-130.97	379.54	10.20	-120.77
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013207474	1	47	-2.0	-132.42	368.21	8.50	-123.92
CCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207475	1	49	-2.0	-123.26	387.53	7.54	-115.72
CC(C)[C@@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207476	1	49	-2.0	-124.51	378.97	7.08	-117.43
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])=N2	REAL300013207477	1	51	-2.0	-139.27	390.31	10.47	-128.80
CCN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(C)(C)C(=O)[O-]	REAL300013207478	1	52	-2.0	-128.83	392.64	9.77	-119.06
CCCN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(C)C(=O)[O-]	REAL300013207479	1	52	-2.0	-123.58	401.14	10.68	-112.90
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207480	1	49	-2.0	-123.33	388.12	7.58	-115.75
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])=N2	REAL300013207481	1	51	-2.0	-133.00	392.23	9.70	-123.30
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013207482	1	50	-2.0	-131.62	402.80	8.90	-122.72
CN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(C)(C)C(=O)[O-]	REAL300013207483	1	49	-2.0	-127.59	374.15	8.90	-118.69
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013207484	1	47	-2.0	-132.41	368.21	8.51	-123.90
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207487	1	55	-2.0	-126.03	423.79	8.75	-117.28
C#CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207488	1	45	-2.0	-122.66	373.13	7.16	-115.50
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207489	1	46	-2.0	-114.06	359.07	8.11	-105.95
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207490	1	53	-2.0	-124.73	419.27	8.64	-116.09
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207491	1	56	-2.0	-117.68	431.82	9.23	-108.45
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207492	1	55	-2.0	-117.90	418.21	10.47	-107.43
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=N1)=N2	REAL300013207493	1	49	-2.0	-134.69	399.40	7.25	-127.44
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207494	1	56	-2.0	-134.26	422.01	11.24	-123.02
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CN=C1)=N2	REAL300013207496	1	49	-2.0	-127.59	397.68	7.11	-120.48
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207497	1	54	-2.0	-132.28	413.87	9.57	-122.71
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207498	1	50	-2.0	-123.33	400.34	8.10	-115.23
CC#CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207499	1	48	-2.0	-124.67	394.95	8.11	-116.56
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)CC1=O	REAL300013207500	1	51	-2.0	-126.87	396.07	8.21	-118.66
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@]1(C)C(=O)[O-])=N2	REAL300013207501	1	50	-2.0	-131.38	384.58	9.31	-122.07
CC(C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207502	1	49	-2.0	-123.94	377.99	7.08	-116.86
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013207503	1	50	-2.0	-131.74	402.99	8.82	-122.92
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207504	1	46	-2.0	-113.45	359.51	8.00	-105.45
CCC[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207505	1	49	-2.0	-123.25	387.52	7.54	-115.71
CCN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(C)C(=O)[O-]	REAL300013207506	1	49	-2.0	-115.95	378.48	8.94	-107.01
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013207507	1	53	-2.0	-121.09	403.24	10.43	-110.66
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207508	1	52	-2.0	-125.54	397.38	7.76	-117.78
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207509	1	49	-2.0	-114.27	379.95	9.08	-105.19
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(CO)C1)=N2	REAL300013207510	1	51	-2.0	-135.97	398.54	4.59	-131.38
CC1CCC(NC(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)(C(=O)[O-])C1	REAL300013207511	1	53	-2.0	-131.47	402.04	8.46	-123.01
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1(C)C)=N2	REAL300013207512	1	56	-2.0	-134.54	412.40	9.19	-125.35
COCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207513	1	50	-2.0	-121.04	399.70	5.83	-115.21
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C)(C)C1)=N2	REAL300013207514	1	53	-2.0	-132.71	404.43	9.12	-123.59
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1(C)CC1)=N2	REAL300013207515	1	50	-2.0	-127.70	390.46	8.11	-119.59
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])=N2	REAL300013207516	1	48	-2.0	-139.50	379.51	5.27	-134.23
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOC1)=N2	REAL300013207517	1	51	-2.0	-121.90	394.03	5.76	-116.14
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])=N2	REAL300013207518	1	51	-2.0	-136.06	389.64	9.88	-126.18
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])CO3)=N2	REAL300013207519	1	49	-2.0	-131.65	381.31	7.54	-124.11
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C1	REAL300013207520	1	53	-2.0	-139.50	400.31	10.74	-128.76
CN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C1(C(=O)[O-])CC1	REAL300013207521	1	47	-2.0	-127.37	374.49	8.62	-118.75
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013207522	1	50	-2.0	-126.31	386.98	7.73	-118.58
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)=N2	REAL300013207523	1	56	-2.0	-128.30	419.93	9.03	-119.27
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013207524	1	50	-2.0	-126.31	386.98	7.73	-118.58
CC1CCN(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C1C(=O)[O-]	REAL300013207525	1	50	-2.0	-133.01	381.21	9.31	-123.70
C=CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207526	1	47	-2.0	-122.51	379.34	7.22	-115.29
COC1CC(NC(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)(C(=O)[O-])C1	REAL300013207527	1	51	-2.0	-127.35	399.57	6.28	-121.07
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(F)(F)C1)=N2	REAL300013207528	1	47	-2.0	-123.94	376.42	7.44	-116.50
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)(C(=O)[O-])C1	REAL300013207529	1	51	-2.0	-133.41	399.93	6.67	-126.74
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207530	1	53	-2.0	-133.43	398.18	10.25	-123.18
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2	REAL300013207531	1	46	-2.0	-117.17	382.79	7.44	-109.73
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])=N2	REAL300013207532	1	54	-2.0	-124.38	420.43	6.83	-117.55
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])COC1)=N2	REAL300013207533	1	45	-2.0	-121.93	358.80	4.44	-117.49
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207534	1	52	-2.0	-127.54	387.73	7.78	-119.76
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013207535	1	48	-2.0	-137.65	374.87	9.89	-127.76
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013207536	1	51	-2.0	-136.41	390.83	9.40	-127.01
C=CCSCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207537	1	51	-2.0	-124.11	424.60	8.62	-115.49
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207538	1	52	-2.0	-126.34	395.99	10.42	-115.92
COC1(C(NC(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C(=O)[O-])CCC1	REAL300013207539	1	54	-2.0	-124.82	413.80	6.38	-118.44
CC(C)(C)C1CCC2=C(C1)SC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300013207540	0	50	-2.0	-129.15	400.12	9.21	-119.94
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300013207540	1	49	-3.0	-209.69	396.86	8.00	-201.69
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013207541	1	47	-2.0	-126.24	373.94	8.86	-117.38
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C3C=CC(C3)C1C(=O)[O-])=N2	REAL300013207542	1	49	-2.0	-131.07	383.94	9.60	-121.47
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C)C1C(=O)[O-])=N2	REAL300013207543	1	53	-2.0	-135.75	401.43	9.54	-126.21
CC(C)CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207544	1	55	-2.0	-124.12	427.43	8.82	-115.30
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC3(CCC3)CC1C(=O)[O-])=N2	REAL300013207545	1	54	-2.0	-133.27	417.09	10.31	-122.96
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])=N2	REAL300013207546	1	54	-2.0	-124.38	420.43	6.83	-117.55
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C1	REAL300013207547	1	51	-2.0	-128.26	410.54	9.93	-118.33
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207548	1	47	-2.0	-127.66	374.75	4.24	-123.42
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013207549	1	44	-2.0	-126.39	356.46	2.58	-123.81
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC3CC31)=N2	REAL300013207550	1	54	-2.0	-134.35	402.22	9.55	-124.80
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3CC31)=N2	REAL300013207551	1	51	-2.0	-132.71	389.26	8.67	-124.04
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3(CCC3)C1)=N2	REAL300013207552	1	54	-2.0	-132.80	410.60	9.02	-123.78
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCC1)=N2	REAL300013207553	1	53	-2.0	-127.28	403.02	8.33	-118.95
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207554	1	50	-2.0	-126.14	396.86	5.99	-120.15
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207555	1	50	-2.0	-132.39	386.04	8.24	-124.15
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(C)(C)CC1C(=O)[O-])=N2	REAL300013207556	1	53	-2.0	-131.25	407.71	9.61	-121.64
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(F)(F)C1C(=O)[O-])=N2	REAL300013207557	1	47	-2.0	-128.61	379.13	8.90	-119.71
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013207558	1	54	-2.0	-137.54	405.76	10.16	-127.38
COCCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207559	1	53	-2.0	-124.42	422.04	6.59	-117.83
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207560	1	52	-2.0	-115.97	400.86	9.97	-106.00
CCOCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207561	1	50	-2.0	-126.29	400.57	5.96	-120.33
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207562	1	55	-2.0	-124.97	416.83	9.18	-115.79
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCO1)=N2	REAL300013207563	1	54	-2.0	-129.66	415.59	6.91	-122.75
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)[C@@H]1C(=O)[O-]	REAL300013207564	1	51	-2.0	-134.52	390.84	8.47	-126.05
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N2	REAL300013207565	1	47	-2.0	-116.48	387.71	7.26	-109.22
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CO1)=N2	REAL300013207566	1	50	-2.0	-123.25	407.56	10.01	-113.24
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013207567	1	46	-2.0	-113.46	360.00	8.10	-105.36
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C1	REAL300013207568	1	54	-2.0	-134.39	422.71	8.73	-125.66
C=CCN(C(=O)[N-]C1=NC=C(OC)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013207569	1	42	-2.0	-107.38	365.55	8.35	-99.03
COC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300013207570	1	35	-2.0	-120.28	339.68	4.96	-115.32
COC1=CN=C([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])S1	REAL300013207571	1	41	-2.0	-123.88	368.56	6.71	-117.17
COC1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013207572	1	41	-2.0	-119.66	346.62	4.97	-114.69
COC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013207573	1	38	-2.0	-115.39	337.77	7.46	-107.93
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300013207574	1	35	-2.0	-124.52	324.07	4.45	-120.07
COC1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013207575	1	28	-2.0	-110.38	282.24	2.48	-107.90
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300013207576	1	38	-2.0	-127.11	348.07	6.07	-121.04
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300013207577	1	33	-2.0	-117.34	293.73	3.54	-113.80
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(OC)S1	REAL300013207578	1	35	-2.0	-110.63	311.64	3.39	-107.24
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(OC)S1	REAL300013207579	1	41	-2.0	-112.60	347.96	7.47	-105.13
COC1=CN=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300013207580	1	31	-2.0	-107.58	306.20	4.94	-102.64
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013207581	1	38	-2.0	-119.36	322.36	4.13	-115.23
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013207582	1	33	-2.0	-120.94	313.46	0.99	-119.95
COC1=CN=C([N-]C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])S1	REAL300013207583	1	35	-2.0	-112.80	358.37	5.74	-107.06
COC1=CN=C([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])S1	REAL300013207584	1	39	-2.0	-111.85	338.18	4.69	-107.16
COC1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)S1	REAL300013207585	1	39	-2.0	-124.40	341.97	8.03	-116.37
C=CCOCC(NC(=O)[N-]C1=NC=C(OC)S1)C(=O)[O-]	REAL300013207586	1	33	-2.0	-120.06	313.01	1.54	-118.52
COC1=CN=C([N-]C(=O)N2CCCC(O)C2C(=O)[O-])S1	REAL300013207587	1	33	-2.0	-136.34	286.89	2.56	-133.78
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013207588	1	36	-2.0	-120.55	311.02	1.50	-119.05
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300013207589	1	32	-2.0	-113.47	315.17	3.98	-109.49
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300013207590	1	32	-2.0	-114.26	325.31	4.34	-109.92
COC1=CN=C([N-]C(=O)N2CCC(OC)CC2C(=O)[O-])S1	REAL300013207591	1	36	-2.0	-130.88	311.62	4.12	-126.76
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)S1	REAL300013207592	1	36	-2.0	-116.46	310.42	1.60	-114.86
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)S1	REAL300013207593	1	35	-2.0	-117.13	329.40	4.47	-112.66
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300013207594	1	37	-2.0	-122.46	338.00	3.66	-118.80
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300013207595	1	38	-2.0	-126.22	344.88	5.15	-121.07
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)S1	REAL300013207596	1	38	-2.0	-126.14	340.89	5.06	-121.08
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)S1	REAL300013207597	1	37	-2.0	-121.66	342.32	0.93	-120.73
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)S1	REAL300013207598	1	36	-2.0	-119.95	348.23	3.63	-116.32
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013207599	1	32	-2.0	-117.04	319.15	4.39	-112.65
COC1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013207600	1	30	-2.0	-124.25	279.21	5.14	-119.11
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300013207601	1	38	-2.0	-124.81	301.71	4.54	-120.27
COC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013207602	1	35	-2.0	-118.47	324.91	4.71	-113.76
COC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013207603	1	35	-2.0	-115.72	325.55	6.81	-108.91
COC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013207604	1	32	-2.0	-124.15	302.47	3.86	-120.29
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013207605	1	32	-2.0	-123.95	302.06	3.81	-120.14
COC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013207606	1	35	-2.0	-118.47	324.91	4.71	-113.76
COC1=CN=C([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300013207607	1	36	-2.0	-133.35	317.12	7.19	-126.16
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)S1	REAL300013207608	1	29	-2.0	-121.05	294.08	2.94	-118.11
COC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)S1	REAL300013207609	1	35	-2.0	-110.37	342.30	7.33	-103.04
COC1=CN=C([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013207610	1	39	-2.0	-123.89	353.95	4.79	-119.10
COC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)S1	REAL300013207611	1	43	-2.0	-120.04	384.56	5.42	-114.62
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)S1	REAL300013207612	1	32	-2.0	-117.09	323.96	4.41	-112.68
COC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300013207613	1	35	-2.0	-109.98	331.98	6.88	-103.10
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013207614	1	36	-2.0	-127.74	322.03	5.05	-122.69
COC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)S1	REAL300013207615	1	35	-2.0	-107.32	344.08	6.58	-100.74
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300013207616	1	32	-2.0	-122.96	313.55	3.95	-119.01
COC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013207617	1	35	-2.0	-126.16	310.78	4.53	-121.63
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(OC)S1)C(=O)[O-]	REAL300013207618	1	43	-2.0	-120.65	356.66	5.13	-115.52
COC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)S1	REAL300013207619	1	36	-2.0	-117.09	347.64	4.67	-112.42
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013207620	1	32	-2.0	-117.04	319.15	4.39	-112.65
COC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013207621	1	38	-2.0	-123.68	307.46	5.59	-118.09
COC1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013207622	1	38	-2.0	-115.85	347.98	7.59	-108.26
COC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013207623	1	35	-2.0	-117.37	312.25	5.75	-111.62
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)S1	REAL300013207624	1	36	-2.0	-131.56	317.38	4.79	-126.77
COC1=CN=C([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013207625	1	39	-2.0	-124.77	358.61	4.72	-120.05
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300013207626	1	33	-2.0	-123.33	313.49	0.99	-122.34
COC1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013207627	1	38	-2.0	-115.85	347.98	7.59	-108.26
COC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013207628	1	38	-2.0	-123.68	307.46	5.59	-118.09
CCCCCC(NC(=O)[N-]C1=NC=C(OC)S1)C(=O)[O-]	REAL300013207629	1	37	-2.0	-116.57	331.03	4.04	-112.53
CCC1CCC(NC(=O)[N-]C2=NC=C(OC)S2)(C(=O)[O-])CC1	REAL300013207630	1	41	-2.0	-124.63	335.12	5.13	-119.50
COC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013207631	1	36	-2.0	-113.56	311.35	3.71	-109.85
COC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)S1	REAL300013207632	1	35	-2.0	-116.68	342.69	5.51	-111.17
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)S1	REAL300013207633	1	32	-2.0	-124.58	314.66	4.21	-120.37
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)S1	REAL300013207634	1	32	-2.0	-128.90	307.10	3.87	-125.03
COC1=CN=C([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013207635	1	36	-2.0	-123.60	319.69	6.58	-117.02
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)S1	REAL300013207636	1	38	-2.0	-125.18	333.44	4.91	-120.27
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300013207637	1	36	-2.0	-119.80	338.19	3.23	-116.57
COC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013207638	1	38	-2.0	-109.16	364.31	7.81	-101.35
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(OC)S1)C1CC1	REAL300013207639	1	36	-2.0	-109.48	315.07	5.07	-104.41
CCCN(C(=O)[N-]C1=NC=C(OC)S1)C(COC)C(=O)[O-]	REAL300013207640	1	38	-2.0	-113.28	326.17	4.10	-109.18
CCCN(C(=O)[N-]C1=NC=C(OC)S1)C(CC)C(=O)[O-]	REAL300013207641	1	37	-2.0	-108.39	314.39	5.50	-102.89
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300013207642	1	33	-2.0	-119.74	287.47	1.39	-118.35
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)S1	REAL300013207643	1	36	-2.0	-121.58	331.92	3.17	-118.41
CCC(COC)(NC(=O)[N-]C1=NC=C(OC)S1)C(=O)[O-]	REAL300013207644	1	35	-2.0	-124.11	305.58	2.22	-121.89
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)S1	REAL300013207645	1	35	-2.0	-118.73	312.51	-0.14	-118.87
CCC(NC(=O)[N-]C1=NC=C(OC)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013207646	1	38	-2.0	-121.12	344.19	5.94	-115.18
CCC(NC(=O)[N-]C1=NC=C(OC)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013207647	1	38	-2.0	-127.52	327.50	5.42	-122.10
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)S1	REAL300013207648	1	42	-2.0	-123.85	352.74	2.91	-120.94
COC1=CN=C([N-]C(=O)NC(CC2(OC)CCC2)C(=O)[O-])S1	REAL300013207649	1	39	-2.0	-121.07	336.62	3.13	-117.94
COC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC(OC)=CC=C2)S1	REAL300013207650	1	39	-2.0	-119.47	341.75	5.05	-114.42
COC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013207651	1	36	-2.0	-113.56	311.35	3.71	-109.85
COC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)S1	REAL300013207652	1	38	-2.0	-114.83	320.30	6.09	-108.74
COC1=CN=C([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)S1	REAL300013207653	1	38	-2.0	-124.92	309.85	4.25	-120.67
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(OC)=CC=C2)S1	REAL300013207654	1	36	-2.0	-126.05	332.21	3.06	-122.99
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)S1	REAL300013207655	1	32	-2.0	-123.55	317.80	4.28	-119.27
COC1=CN=C([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])S1	REAL300013207656	1	33	-2.0	-120.11	302.28	4.71	-115.40
COC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC(OC)=CC=C2)S1	REAL300013207657	1	36	-2.0	-126.08	332.17	3.07	-123.01
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(OC)S2)C1	REAL300013207658	1	38	-2.0	-126.77	333.89	5.73	-121.04
COC1=CN=C([N-]C(=O)NC(CC2=CC(OC)=CC=C2)C(=O)[O-])S1	REAL300013207659	1	39	-2.0	-120.88	354.41	4.03	-116.85
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)S1	REAL300013207660	1	41	-2.0	-126.27	323.96	4.75	-121.52
COC1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])S1	REAL300013207661	1	38	-2.0	-118.02	344.82	5.39	-112.63
COC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300013207662	1	37	-2.0	-124.66	338.99	5.21	-119.45
COC1=CN=C([N-]C(=O)N2CC(OC)CC2(C)C(=O)[O-])S1	REAL300013207663	1	36	-2.0	-120.14	316.99	3.28	-116.86
COC1=CN=C([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])S1	REAL300013207664	1	39	-2.0	-118.84	333.45	3.29	-115.55
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(OC)S1)C(=O)[O-]	REAL300013207665	1	29	-2.0	-113.87	295.02	2.83	-111.04
COC1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013207666	1	38	-2.0	-117.84	334.50	4.93	-112.91
COC1=CN=C([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300013207667	1	29	-2.0	-114.47	280.09	3.87	-110.60
COC1=CN=C([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300013207668	1	39	-2.0	-117.38	337.75	2.58	-114.80
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013207669	1	36	-2.0	-120.55	311.02	1.50	-119.05
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013207670	1	32	-2.0	-123.95	302.06	3.81	-120.14
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300013207671	1	35	-2.0	-119.29	341.41	4.77	-114.52
COC1=CN=C([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])S1	REAL300013207672	1	31	-2.0	-115.27	311.46	1.91	-113.36
COC1=CN=C([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])S1	REAL300013207673	1	40	-2.0	-116.95	348.36	4.61	-112.34
COC1=CN=C([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])S1	REAL300013207674	1	38	-2.0	-121.77	354.53	5.17	-116.60
COC1=CN=C([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])S1	REAL300013207675	1	36	-2.0	-123.99	322.72	2.08	-121.91
COC1=CN=C([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013207676	1	35	-2.0	-114.05	331.08	4.85	-109.20
CCC(C)CC(NC(=O)[N-]C1=NC=C(OC)S1)C(=O)[O-]	REAL300013207677	1	37	-2.0	-117.79	323.22	3.72	-114.07
COC1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013207678	1	35	-2.0	-114.22	331.31	4.78	-109.44
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300013207679	1	38	-2.0	-118.55	343.98	6.18	-112.37
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)S1	REAL300013207680	1	36	-2.0	-125.71	346.02	3.75	-121.96
COC1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013207681	1	30	-2.0	-124.25	279.21	5.14	-119.11
COC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013207682	1	35	-2.0	-126.16	310.78	4.53	-121.63
COC1=CN=C([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013207683	1	37	-2.0	-117.08	324.40	5.28	-111.80
COC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013207684	1	32	-2.0	-124.15	302.47	3.86	-120.29
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300013207685	1	35	-2.0	-115.36	341.43	4.78	-110.58
CCC(C)CC(NC(=O)[N-]C1=NC=C(OC)S1)C(=O)[O-]	REAL300013207687	1	37	-2.0	-117.79	323.22	3.72	-114.07
COC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])S1	REAL300013207688	1	38	-2.0	-112.52	330.39	6.76	-105.76
COC1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013207689	1	34	-2.0	-115.49	320.08	2.95	-112.54
COC1=CN=C([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])S1	REAL300013207690	1	38	-2.0	-111.33	331.91	4.14	-107.19
COC1=CN=C([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])S1	REAL300013207691	1	37	-2.0	-110.87	319.37	5.54	-105.33
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)S1	REAL300013207692	1	31	-2.0	-127.14	299.07	2.20	-124.94
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(OC)S1	REAL300013207693	1	38	-2.0	-127.41	321.73	6.08	-121.33
COC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013207694	1	38	-2.0	-112.20	329.72	6.66	-105.54
COC1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013207696	1	34	-2.0	-115.49	320.08	2.95	-112.54
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)S1	REAL300013207697	1	31	-2.0	-120.25	297.35	2.06	-118.19
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(OC)S1	REAL300013207699	1	36	-2.0	-125.75	313.14	4.50	-121.25
COC1=CN=C([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])S1	REAL300013207700	0	36	-2.0	-128.50	321.05	7.70	-120.80
COC1=CN=C([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])S1	REAL300013207701	0	39	-2.0	-117.78	331.78	7.15	-110.63
COC1=CN=C([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])S1	REAL300013207702	1	37	-2.0	-116.15	342.82	3.72	-112.43
COC1=CN=C([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300013207703	1	31	-2.0	-117.93	311.24	1.78	-116.15
COC1=CN=C([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300013207704	1	32	-2.0	-110.11	330.99	3.53	-106.58
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)S1	REAL300013207705	1	29	-2.0	-115.80	314.97	3.47	-112.33
COC1=CN=C([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])S1	REAL300013207706	1	33	-2.0	-119.82	295.63	3.07	-116.75
COC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013207707	1	32	-2.0	-124.27	302.66	3.78	-120.49
COC1=CN=C([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])S1	REAL300013207708	1	35	-2.0	-124.39	316.48	3.11	-121.28
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)S1	REAL300013207709	1	33	-2.0	-126.29	299.94	-0.35	-126.64
CCN(C(=O)[N-]C1=NC=C(OC)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013207710	1	41	-2.0	-124.21	350.53	7.89	-116.32
COC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)S1	REAL300013207711	1	41	-2.0	-122.90	350.00	3.02	-119.88
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)S1	REAL300013207712	1	38	-2.0	-127.07	310.40	4.01	-123.06
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)S1	REAL300013207713	1	42	-2.0	-134.25	351.70	6.11	-128.14
COC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)S1	REAL300013207714	1	41	-2.0	-122.65	350.42	2.99	-119.66
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)S1	REAL300013207715	1	46	-2.0	-127.71	403.94	6.07	-121.64
COC1=CN=C([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])S1	REAL300013207716	1	40	-2.0	-123.79	347.09	7.53	-116.26
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOC2)S1	REAL300013207717	1	33	-2.0	-116.60	293.30	0.74	-115.86
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300013207718	1	36	-2.0	-131.11	334.62	3.85	-127.26
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013207719	1	38	-2.0	-120.10	332.34	4.79	-115.31
COC1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013207720	1	39	-2.0	-119.59	339.36	4.85	-114.74
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)S1	REAL300013207721	1	45	-2.0	-122.70	359.95	4.44	-118.26
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013207722	1	38	-2.0	-119.36	322.36	4.13	-115.23
COC1=CN=C([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300013207723	1	39	-2.0	-120.85	338.77	3.44	-117.41
COC1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)S1	REAL300013207724	1	39	-2.0	-125.56	318.74	5.89	-119.67
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)S1	REAL300013207725	1	39	-2.0	-120.91	316.59	2.67	-118.24
COC1=CN=C([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])S1	REAL300013207726	1	38	-2.0	-120.21	356.02	6.19	-114.02
COC1=CN=C([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])S1	REAL300013207727	1	39	-2.0	-124.56	337.27	7.07	-117.49
COC1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013207728	1	39	-2.0	-119.59	339.36	4.85	-114.74
COC1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013207729	1	35	-2.0	-116.44	331.37	4.79	-111.65
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(OC)C2)S1	REAL300013207730	1	33	-2.0	-120.39	299.24	1.24	-119.15
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)S1	REAL300013207731	1	29	-2.0	-117.56	276.25	2.39	-115.17
COC1=CN=C([N-]C(=O)N[C@@]2(C(=O)[O-])C[C@@H](OC)C2)S1	REAL300013207732	1	33	-2.0	-126.07	299.80	1.62	-124.45
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)S1	REAL300013207733	1	32	-2.0	-116.45	307.78	3.19	-113.26
COC1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013207734	1	28	-2.0	-110.38	282.24	2.48	-107.90
COC1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013207735	1	36	-2.0	-116.95	321.58	1.90	-115.05
COC1=CN=C([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])S1	REAL300013207736	1	32	-2.0	-116.89	316.83	3.77	-113.12
COCC(NC(=O)[N-]C1=NC=C(OC)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013207737	1	39	-2.0	-127.59	343.70	3.74	-123.85
COC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013207738	1	38	-2.0	-112.20	329.72	6.66	-105.54
COC1=CN=C([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])S1	REAL300013207739	1	39	-2.0	-120.08	363.90	4.38	-115.70
COC1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013207740	1	41	-2.0	-119.66	346.62	4.97	-114.69
COC1=CN=C([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013207741	1	38	-2.0	-118.48	347.69	5.55	-112.93
COC1=CN=C([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013207742	1	38	-2.0	-118.42	347.69	5.56	-112.86
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300013207743	1	39	-2.0	-122.48	329.26	4.54	-117.94
COC1=CN=C([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013207744	1	41	-2.0	-119.67	346.64	4.99	-114.68
COC1=CN=C([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013207745	1	41	-2.0	-119.71	346.86	4.91	-114.80
COC1=CN=C([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])S1	REAL300013207746	1	39	-2.0	-122.89	329.32	5.73	-117.16
COC1=CN=C([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])S1	REAL300013207747	1	39	-2.0	-129.81	325.97	5.44	-124.37
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)S1	REAL300013207748	1	39	-2.0	-124.52	367.02	4.33	-120.19
COC1=CN=C([N-]C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])S1	REAL300013207749	1	39	-2.0	-118.24	353.57	4.05	-114.19
C=CCSCC(NC(=O)[N-]C1=NC=C(OC)S1)C(=O)[O-]	REAL300013207750	1	33	-2.0	-117.10	324.51	3.51	-113.59
COC1=CN=C([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])S1	REAL300013207751	1	36	-2.0	-113.38	345.72	5.12	-108.26
COC1=CN=C([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])S1	REAL300013207752	1	39	-2.0	-130.39	356.80	4.99	-125.40
COC1=CN=C([N-]C(=O)NC(CC2=CNC3=CC=C(OC)C=C23)C(=O)[O-])S1	REAL300013207753	1	43	-2.0	-128.81	383.19	4.15	-124.66
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(OC)CCC2)S1	REAL300013207754	1	36	-2.0	-123.50	314.77	1.49	-122.01
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)S1	REAL300013207755	1	38	-2.0	-120.19	328.45	4.70	-115.49
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)S1	REAL300013207756	1	39	-2.0	-128.20	334.00	5.79	-122.41
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)S1	REAL300013207757	1	32	-2.0	-119.73	297.77	3.09	-116.64
COC1=CN=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013207758	0	32	-2.0	-126.93	299.78	4.14	-122.79
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013207758	1	31	-3.0	-197.07	295.17	2.84	-194.23
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300013207759	1	44	-2.0	-124.10	378.63	6.19	-117.91
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300013207760	1	41	-2.0	-124.04	362.91	5.70	-118.34
CCOC1=CC=C(C(NC(=O)[N-]C2=NC=C(OC)S2)C(=O)[O-])C=C1	REAL300013207761	1	39	-2.0	-121.43	353.79	4.07	-117.36
COC1=CN=C([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])S1	REAL300013207762	1	39	-2.0	-133.85	323.37	6.73	-127.12
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300013207763	1	39	-2.0	-121.55	344.68	5.65	-115.90
COC1=CN=C([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])S1	REAL300013207764	1	39	-2.0	-125.42	345.12	4.78	-120.64
COC1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])S1	REAL300013207765	1	35	-2.0	-117.44	338.92	4.70	-112.74
COC1=CN=C([N-]C(=O)NC(CCC(C)C)C(=O)[O-])S1	REAL300013207766	1	37	-2.0	-117.07	327.10	3.77	-113.30
COC1=CN=C([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])S1	REAL300013207767	1	36	-2.0	-124.35	316.78	5.25	-119.10
COC1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013207768	1	36	-2.0	-116.95	321.58	1.90	-115.05
COC1=CN=C([N-]C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])S1	REAL300013207769	1	33	-2.0	-121.26	310.42	4.88	-116.38
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)S1	REAL300013207770	1	36	-2.0	-125.52	304.37	4.25	-121.27
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300013207771	1	36	-2.0	-125.62	310.28	3.98	-121.64
COC1=CN=C([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300013207772	1	42	-2.0	-124.55	343.63	6.20	-118.35
COC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013207773	1	35	-2.0	-115.72	325.55	6.81	-108.91
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300013207774	1	42	-2.0	-124.67	376.64	7.26	-117.41
COC1=CN=C([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])S1	REAL300013207775	1	36	-2.0	-123.29	328.26	7.07	-116.22
COC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300013207776	1	38	-2.0	-118.13	349.53	5.54	-112.59
COC1=CN=C([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])S1	REAL300013207777	1	32	-2.0	-122.57	290.46	5.31	-117.26
COC1=CN=C([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])S1	REAL300013207778	1	29	-2.0	-122.16	278.81	3.84	-118.32
COC1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013207779	1	35	-2.0	-116.44	331.37	4.79	-111.65
COC1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013207780	1	32	-2.0	-116.17	315.55	3.73	-112.44
COC1=CN=C([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])S1	REAL300013207781	1	32	-2.0	-118.20	296.71	4.48	-113.72
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)S1	REAL300013207782	1	36	-2.0	-123.90	329.47	4.42	-119.48
COC1=CN=C([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])S1	REAL300013207783	1	40	-2.0	-124.29	354.39	6.10	-118.19
COC1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013207784	1	32	-2.0	-116.17	315.55	3.73	-112.44
COC1=CN=C([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013207785	1	36	-2.0	-130.12	305.42	5.10	-125.02
COC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013207786	1	33	-2.0	-121.00	313.46	1.00	-120.00
COCCCC(NC(=O)[N-]C1=NC=C(OC)S1)C(=O)[O-]	REAL300013207787	1	35	-2.0	-117.16	321.46	1.60	-115.56
COC1=CN=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S1	REAL300013207788	1	37	-2.0	-118.14	317.35	4.11	-114.03
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)S1	REAL300013207789	1	36	-2.0	-122.91	317.02	1.85	-121.06
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300013207790	1	32	-2.0	-119.88	323.76	4.47	-115.41
COC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013207791	1	36	-2.0	-127.74	322.03	5.05	-122.69
COC1=CN=C([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])S1	REAL300013207792	1	33	-2.0	-127.20	290.22	3.29	-123.91
COC1=CN=C([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])S1	REAL300013207793	1	35	-2.0	-109.64	309.81	4.88	-104.76
COC1=CN=C([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)S1	REAL300013207794	1	46	-2.0	-126.70	357.47	5.82	-120.88
COC1=CN=C([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])S1	REAL300013207795	1	38	-2.0	-121.16	350.31	5.06	-116.10
COC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)S1	REAL300013207796	1	32	-2.0	-113.38	307.23	4.95	-108.43
COC1=CN=C([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])S1	REAL300013207797	1	43	-2.0	-132.94	341.67	5.64	-127.30
COC1=CN=C([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300013207798	1	34	-2.0	-113.94	336.45	3.40	-110.54
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(OC)S2)C1	REAL300013207799	1	36	-2.0	-127.12	322.26	3.66	-123.46
CCC1=CC=CN=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013207973	0	37	-2.0	-130.17	316.48	7.23	-122.94
O=C([O-])C1CC(NC(=O)NC2=CC=C3CCCC3=N2)(C(=O)[O-])C1	REAL300013208222	0	38	-2.0	-133.53	322.53	7.52	-126.01
CCC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300013208441	0	37	-2.0	-130.16	319.91	7.10	-123.06
O=C([O-])C1CC(NC(=O)NC2=CC3=C(C=N2)CCCC3)(C(=O)[O-])C1	REAL300013208733	0	41	-2.0	-130.08	339.71	8.16	-121.92
CC1=CN=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(C)=C1	REAL300013208956	0	37	-2.0	-130.81	316.26	7.11	-123.70
C=CCN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013209125	1	51	-2.0	-111.74	416.95	11.34	-100.40
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])S2	REAL300013209126	1	44	-2.0	-122.21	392.41	8.10	-114.11
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])S2	REAL300013209127	1	50	-2.0	-122.76	398.94	7.98	-114.78
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209128	1	47	-2.0	-123.37	389.88	10.50	-112.87
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])C=C1	REAL300013209129	1	44	-2.0	-127.53	376.20	7.53	-120.00
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S2	REAL300013209130	1	37	-2.0	-113.64	334.55	5.47	-108.17
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC3=CC=CC=C3C=C1)S2	REAL300013209131	1	47	-2.0	-130.31	400.73	9.13	-121.18
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCSCC1)S2	REAL300013209132	1	42	-2.0	-120.20	345.83	6.58	-113.62
COCC(C)(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209133	1	41	-2.0	-124.56	341.00	4.35	-120.21
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209134	1	44	-2.0	-113.78	362.79	6.40	-107.38
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209135	1	43	-2.0	-120.12	354.57	7.93	-112.19
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209136	1	50	-2.0	-123.29	404.76	10.57	-112.72
CC1(C)CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CC1)S2	REAL300013209137	1	38	-2.0	-118.01	319.78	7.11	-110.90
CC1(C)CCC2=C1N=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S2	REAL300013209138	1	40	-2.0	-114.72	358.29	8.02	-106.70
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCOC1)S2	REAL300013209139	1	39	-2.0	-120.88	324.26	3.19	-117.69
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)S2	REAL300013209140	1	47	-2.0	-123.42	377.29	7.24	-116.18
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(O)C=C1)S2	REAL300013209141	1	42	-2.0	-124.70	365.52	4.09	-120.61
CN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(COC1CCC1)C(=O)[O-]	REAL300013209142	1	48	-2.0	-115.60	390.27	7.77	-107.83
CC1(C)CCC2=C1N=C([N-]C(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)S2	REAL300013209143	1	48	-2.0	-136.46	394.07	11.13	-125.33
C=CCOCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209144	1	42	-2.0	-122.68	365.23	4.57	-118.11
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCCC(O)C1C(=O)[O-])S2	REAL300013209145	1	42	-2.0	-137.51	339.06	5.56	-131.95
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209146	1	41	-2.0	-120.55	343.13	5.63	-114.92
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)S2	REAL300013209147	1	45	-2.0	-123.10	362.54	4.65	-118.45
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)S2	REAL300013209148	1	41	-2.0	-117.09	367.50	6.96	-110.13
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)S2	REAL300013209149	1	41	-2.0	-117.75	377.39	7.41	-110.34
COC1CCN(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(C(=O)[O-])C1	REAL300013209150	1	45	-2.0	-131.78	363.63	7.11	-124.67
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCOC1)S2	REAL300013209151	1	45	-2.0	-119.84	363.09	4.60	-115.24
CC1CCN(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(C(=O)[O-])C1	REAL300013209152	1	44	-2.0	-133.05	352.16	8.74	-124.31
CC1=CC(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])=CC=C1F	REAL300013209153	1	44	-2.0	-120.24	381.24	7.63	-112.61
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C3OCCC3=C1)S2	REAL300013209154	1	46	-2.0	-125.62	390.46	6.79	-118.83
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])=C1	REAL300013209155	1	47	-2.0	-129.39	396.99	8.22	-121.17
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])C=C1C	REAL300013209156	1	47	-2.0	-129.36	393.21	8.04	-121.32
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])C=C1O	REAL300013209157	1	46	-2.0	-125.53	394.77	4.06	-121.47
CC(C)C(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209158	1	40	-2.0	-120.10	330.05	5.19	-114.91
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCCCC1C(=O)[O-])S2	REAL300013209159	1	41	-2.0	-132.55	331.32	8.13	-124.42
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)S2	REAL300013209160	1	41	-2.0	-120.19	371.24	7.46	-112.73
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCSCC1C(=O)[O-])S2	REAL300013209161	1	39	-2.0	-124.65	331.26	8.15	-116.50
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCCC1)S2	REAL300013209162	1	44	-2.0	-126.65	348.13	6.90	-119.75
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCCC1C(=O)[O-])S2	REAL300013209163	1	38	-2.0	-127.27	319.20	6.76	-120.51
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC1)S2	REAL300013209164	1	41	-2.0	-126.04	333.62	5.80	-120.24
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCCCC1)S2	REAL300013209165	1	47	-2.0	-127.27	353.83	7.57	-119.70
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])S2	REAL300013209166	1	44	-2.0	-121.35	376.99	7.79	-113.56
CC1(C)CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)S2	REAL300013209167	1	44	-2.0	-123.03	377.65	9.89	-113.14
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)S2	REAL300013209168	1	41	-2.0	-127.21	354.55	6.93	-120.28
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013209169	1	41	-2.0	-127.26	354.75	6.86	-120.40
CC(C)C(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209170	1	40	-2.0	-120.10	330.05	5.19	-114.91
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])S2	REAL300013209171	1	44	-2.0	-121.35	376.99	7.79	-113.56
CCC(C)C(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209172	1	43	-2.0	-121.56	349.26	5.76	-115.80
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCCCC1C(=O)[O-])S2	REAL300013209173	1	41	-2.0	-132.55	331.32	8.13	-124.42
CCCC(C)(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209174	1	43	-2.0	-122.61	344.25	5.82	-116.79
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209175	1	40	-2.0	-117.80	328.88	7.22	-110.58
CC1(C)CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CC1)S2	REAL300013209176	1	38	-2.0	-118.01	319.78	7.11	-110.90
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209177	1	38	-2.0	-120.25	331.47	7.44	-112.81
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209178	1	43	-2.0	-120.12	354.57	7.93	-112.19
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC3=CC=CC=C3CC1C(=O)[O-])S2	REAL300013209179	1	45	-2.0	-134.57	369.67	10.35	-124.22
CC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)(C(=O)[O-])C1CC1	REAL300013209180	1	41	-2.0	-124.61	335.47	5.89	-118.72
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CS1)S2	REAL300013209181	1	38	-2.0	-124.10	346.40	5.93	-118.17
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCCC1)S2	REAL300013209182	1	44	-2.0	-126.65	348.13	6.90	-119.75
CC1(C)CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)S2	REAL300013209183	1	44	-2.0	-117.81	394.39	10.41	-107.40
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209184	1	40	-2.0	-117.80	328.88	7.22	-110.58
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209185	1	40	-2.0	-120.19	340.15	7.64	-112.55
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C(=O)[O-])S2	REAL300013209186	1	48	-2.0	-127.15	405.28	7.90	-119.25
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209187	1	43	-2.0	-121.41	349.85	5.75	-115.66
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC1)S2	REAL300013209188	1	41	-2.0	-126.04	333.62	5.80	-120.24
CC1(C)CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)S2	REAL300013209189	1	44	-2.0	-117.31	384.07	9.95	-107.36
CCC(C)(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209190	1	40	-2.0	-121.73	322.75	5.07	-116.66
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)S2	REAL300013209191	1	45	-2.0	-130.27	374.35	8.06	-122.21
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)S2	REAL300013209192	1	41	-2.0	-125.85	364.84	7.03	-118.82
CC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013209193	1	44	-2.0	-129.03	362.87	7.56	-121.47
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209194	1	52	-2.0	-123.35	408.74	8.15	-115.20
CC1(C)CCC2=C1N=C([N-]C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])S2	REAL300013209195	1	39	-2.0	-128.55	330.46	3.35	-125.20
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)S2	REAL300013209196	1	41	-2.0	-120.19	371.24	7.46	-112.73
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCOCC1C(=O)[O-])S2	REAL300013209197	1	39	-2.0	-126.03	322.38	5.74	-120.29
CN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C1(C(=O)[O-])CCCCC1	REAL300013209198	1	47	-2.0	-126.02	359.54	8.65	-117.37
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CC1)S2	REAL300013209199	1	38	-2.0	-120.68	325.52	5.27	-115.41
CC1(C)CCC2=C1N=C([N-]C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])S2	REAL300013209200	1	47	-2.0	-123.10	400.07	10.66	-112.44
CN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013209201	1	44	-2.0	-122.28	367.71	9.03	-113.25
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209202	1	41	-2.0	-121.34	350.03	6.05	-115.29
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC3=CC=CC=C31)S2	REAL300013209203	1	45	-2.0	-134.68	369.48	7.85	-126.83
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])S2	REAL300013209204	1	38	-2.0	-127.72	320.02	6.51	-121.21
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCCC[C@@H]1C(=O)[O-])S2	REAL300013209205	1	41	-2.0	-132.48	331.20	8.19	-124.29
CC1(C)CCC2=C1N=C([N-]C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])S2	REAL300013209206	1	39	-2.0	-126.09	330.47	3.36	-122.73
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC[C@H]1C(=O)[O-])S2	REAL300013209207	1	38	-2.0	-127.32	319.23	6.75	-120.57
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC1)S2	REAL300013209208	1	38	-2.0	-125.95	319.87	5.38	-120.57
C=CCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209209	1	38	-2.0	-118.65	331.93	5.22	-113.43
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCCC1(C)C(=O)[O-])S2	REAL300013209210	1	41	-2.0	-127.12	336.28	7.31	-119.81
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@H](CC1=CNC3=CC=CC=C13)C(=O)[O-])S2	REAL300013209211	1	48	-2.0	-127.17	410.72	7.80	-119.37
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCCCCC1C(=O)[O-])S2	REAL300013209212	1	44	-2.0	-131.96	346.08	8.94	-123.02
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CC1)S2	REAL300013209213	1	38	-2.0	-120.68	325.52	5.27	-115.41
CCCCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209214	1	43	-2.0	-119.60	361.61	6.32	-113.28
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC(O)=C1)S2	REAL300013209215	1	42	-2.0	-126.90	365.19	4.04	-122.86
CC1(C)CCC2=C1N=C([N-]C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])S2	REAL300013209216	1	47	-2.0	-123.10	400.07	10.66	-112.44
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC[C@@]1(C)C(=O)[O-])S2	REAL300013209217	1	41	-2.0	-127.03	336.35	7.30	-119.73
CN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C1(C(=O)[O-])CCCCC1	REAL300013209218	1	47	-2.0	-126.02	359.54	8.65	-117.37
CC1(C)CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCCC1)S2	REAL300013209219	1	44	-2.0	-121.39	355.00	8.44	-112.95
COCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209220	1	38	-2.0	-121.81	329.98	3.02	-118.79
CCCCCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209221	1	46	-2.0	-119.58	383.11	7.10	-112.48
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209222	1	43	-2.0	-121.32	347.83	5.90	-115.42
CCC1CCC(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)(C(=O)[O-])CC1	REAL300013209223	1	50	-2.0	-127.10	387.19	8.14	-118.96
CC1(C)CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)S2	REAL300013209224	1	45	-2.0	-121.24	363.53	6.77	-114.47
CN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C1(C(=O)[O-])CCCC1	REAL300013209225	1	44	-2.0	-127.87	346.18	7.69	-120.18
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C1CC1	REAL300013209226	1	41	-2.0	-109.77	336.38	8.58	-101.19
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C1CC1	REAL300013209227	1	44	-2.0	-114.73	353.17	8.62	-106.11
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)S2	REAL300013209228	1	41	-2.0	-127.43	366.70	7.28	-120.15
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1F)S2	REAL300013209229	1	41	-2.0	-130.83	358.38	6.95	-123.88
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC3=CC=CC=C3C1C(=O)[O-])S2	REAL300013209230	1	45	-2.0	-126.37	371.74	9.61	-116.76
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])=C1C	REAL300013209231	1	47	-2.0	-128.17	383.84	7.89	-120.28
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])C=C1F	REAL300013209232	1	45	-2.0	-123.60	390.27	6.31	-117.29
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209233	1	40	-2.0	-120.19	340.15	7.64	-112.55
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C1CC1	REAL300013209234	1	45	-2.0	-112.01	366.02	8.02	-103.99
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C1CCC1	REAL300013209235	1	44	-2.0	-126.18	351.43	9.14	-117.04
CCCN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(COC)C(=O)[O-]	REAL300013209236	1	47	-2.0	-124.79	383.03	8.40	-116.39
CCCN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(CC)C(=O)[O-]	REAL300013209237	1	46	-2.0	-116.08	367.66	8.74	-107.34
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209238	1	43	-2.0	-120.72	357.34	6.08	-114.64
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCOCC1)S2	REAL300013209239	1	42	-2.0	-122.28	339.55	4.41	-117.87
C=CCCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209240	1	41	-2.0	-119.43	352.92	6.10	-113.33
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CF)C(=O)[O-])S2	REAL300013209241	1	34	-2.0	-104.46	300.23	3.80	-100.66
CCC(CC)(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209242	1	43	-2.0	-123.64	339.14	5.95	-117.69
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])C=C1	REAL300013209243	1	45	-2.0	-124.70	384.24	6.16	-118.54
CCC(COC)(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209244	1	44	-2.0	-126.39	357.43	5.26	-121.13
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)S2	REAL300013209245	1	44	-2.0	-121.05	364.68	2.88	-118.17
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1CC1)C(=O)[O-])S2	REAL300013209246	1	41	-2.0	-120.38	350.24	6.33	-114.05
COCCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209247	1	41	-2.0	-117.34	352.28	3.84	-113.50
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S2	REAL300013209248	1	37	-2.0	-114.69	328.40	5.32	-109.37
CCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013209249	1	47	-2.0	-130.46	379.47	8.41	-122.05
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])C1	REAL300013209250	1	51	-2.0	-125.15	409.73	6.23	-118.92
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CCF)C(=O)[O-])S2	REAL300013209251	1	37	-2.0	-114.08	325.21	4.92	-109.16
COC1(CC(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])CCC1	REAL300013209252	1	48	-2.0	-123.71	388.38	6.23	-117.48
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)=C1	REAL300013209253	1	48	-2.0	-123.96	396.66	8.62	-115.34
CC1(C)CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)S2	REAL300013209254	1	45	-2.0	-121.24	363.53	6.77	-114.47
CC1(C)CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCCCC1)S2	REAL300013209255	1	47	-2.0	-122.72	372.39	9.15	-113.57
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)(C(=O)[O-])CC1	REAL300013209256	1	47	-2.0	-127.39	361.96	7.29	-120.10
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])=C1	REAL300013209257	1	45	-2.0	-128.73	383.67	6.19	-122.54
CC(CCF)(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209258	1	40	-2.0	-116.61	329.34	5.20	-111.41
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC3=C(C=CO3)C1C(=O)[O-])S2	REAL300013209259	1	42	-2.0	-122.42	354.38	7.79	-114.63
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])=C1	REAL300013209260	1	45	-2.0	-128.81	384.27	6.14	-122.67
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C1	REAL300013209261	1	47	-2.0	-127.68	385.99	8.74	-118.94
COC1=CC=CC(CC(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])=C1	REAL300013209262	1	48	-2.0	-124.45	406.50	7.11	-117.34
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)S2	REAL300013209263	1	50	-2.0	-128.58	376.05	7.77	-120.81
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC3CC1(C(=O)[O-])C3)S2	REAL300013209264	1	39	-2.0	-131.05	325.58	7.31	-123.74
COC1CN(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(C)(C(=O)[O-])C1	REAL300013209265	1	45	-2.0	-122.76	369.05	6.33	-116.43
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1CCCOC1)C(=O)[O-])S2	REAL300013209266	1	48	-2.0	-122.02	384.95	6.32	-115.70
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209267	1	43	-2.0	-121.32	347.83	5.90	-115.42
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209268	1	38	-2.0	-116.53	347.04	5.86	-110.67
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209269	1	41	-2.0	-118.87	351.63	6.00	-112.87
CC1(C)CCC2=C1N=C([N-]C(=O)N1C3CCC1(C(=O)[O-])CC3)S2	REAL300013209270	1	42	-2.0	-130.84	339.11	8.04	-122.80
CC1(C)CCC2=C1N=C([N-]C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])S2	REAL300013209271	1	39	-2.0	-126.91	332.64	3.01	-123.90
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209272	1	47	-2.0	-120.62	386.58	7.96	-112.66
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])S2	REAL300013209273	1	38	-2.0	-116.81	332.21	6.90	-109.91
CC1(C)CCC2=C1N=C([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])S2	REAL300013209274	1	38	-2.0	-121.93	325.72	6.84	-115.09
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C1	REAL300013209275	1	39	-2.0	-128.24	332.46	7.20	-121.04
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1CCOCC1)C(=O)[O-])S2	REAL300013209276	1	48	-2.0	-119.15	385.62	6.34	-112.81
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209277	1	43	-2.0	-120.72	357.34	6.08	-114.64
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)S2	REAL300013209278	1	45	-2.0	-123.10	362.54	4.65	-118.45
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013209279	1	41	-2.0	-127.26	354.75	6.86	-120.40
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1CC1)C(=O)[O-])S2	REAL300013209280	1	41	-2.0	-120.38	350.24	6.33	-114.05
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CN=CS1)C(=O)[O-])S2	REAL300013209281	1	40	-2.0	-119.27	363.60	4.95	-114.32
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209282	1	49	-2.0	-119.95	399.84	7.65	-112.30
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CC3=CC=CC=C3O1)C(=O)[O-])S2	REAL300013209283	1	47	-2.0	-124.44	405.64	8.27	-116.17
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1CCCO1)C(=O)[O-])S2	REAL300013209284	1	45	-2.0	-126.66	374.83	5.18	-121.48
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209285	1	38	-2.0	-118.66	324.88	1.89	-116.77
CSCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209286	1	38	-2.0	-119.47	341.41	5.23	-114.24
COC[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209287	1	38	-2.0	-121.65	330.47	3.02	-118.63
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])S2	REAL300013209288	1	44	-2.0	-117.06	383.24	7.93	-109.13
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209289	1	46	-2.0	-121.65	374.77	6.80	-114.85
C=CCCCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209290	1	44	-2.0	-119.36	373.59	6.92	-112.44
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])S2	REAL300013209291	1	44	-2.0	-117.09	383.17	7.92	-109.17
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC3=CC=CC=C31)S2	REAL300013209292	1	47	-2.0	-122.61	396.08	9.26	-113.35
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCSCC1C(=O)[O-])S2	REAL300013209293	1	39	-2.0	-124.65	331.26	8.15	-116.50
CC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013209294	1	44	-2.0	-129.03	362.87	7.56	-121.47
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])S2	REAL300013209295	1	38	-2.0	-127.72	320.02	6.51	-121.21
CCCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209296	1	40	-2.0	-119.36	340.11	5.54	-113.82
CC(C)[C@@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209297	1	40	-2.0	-119.81	333.74	5.39	-114.42
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])S2	REAL300013209298	1	42	-2.0	-134.15	344.01	8.67	-125.48
CCN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(C)(C)C(=O)[O-]	REAL300013209299	1	43	-2.0	-124.56	344.39	7.75	-116.81
CCCN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(C)C(=O)[O-]	REAL300013209300	1	43	-2.0	-124.52	352.89	8.71	-115.81
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209301	1	40	-2.0	-119.38	339.87	5.61	-113.77
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCOC3=CC=CC=C3C1C(=O)[O-])S2	REAL300013209302	1	46	-2.0	-120.36	376.51	8.37	-111.99
CC1(C)CCC2=C1N=C([N-]C(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])S2	REAL300013209303	1	42	-2.0	-134.65	343.32	7.80	-126.85
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)S2	REAL300013209304	1	41	-2.0	-127.21	354.55	6.93	-120.28
CN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(C)(C)C(=O)[O-]	REAL300013209305	1	40	-2.0	-123.32	325.89	6.89	-116.43
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC[C@H]1C(=O)[O-])S2	REAL300013209306	1	38	-2.0	-127.32	319.23	6.75	-120.57
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209309	1	46	-2.0	-121.65	374.77	6.80	-114.85
C#CCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209310	1	36	-2.0	-118.70	324.88	5.19	-113.51
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209311	1	47	-2.0	-126.92	389.89	11.01	-115.91
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209312	1	44	-2.0	-121.04	369.86	6.69	-114.35
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])S2	REAL300013209313	1	43	-2.0	-118.34	372.16	6.02	-112.32
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209314	1	47	-2.0	-114.70	383.07	7.16	-107.54
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209315	1	46	-2.0	-113.14	369.01	8.40	-104.74
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=N1)S2	REAL300013209316	1	40	-2.0	-130.27	350.92	5.34	-124.93
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209317	1	47	-2.0	-129.96	373.76	9.22	-120.74
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209318	1	47	-2.0	-118.83	382.49	9.86	-108.97
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])S2	REAL300013209321	1	43	-2.0	-118.34	372.16	6.02	-112.32
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CN=C1)S2	REAL300013209322	1	40	-2.0	-123.72	349.44	5.14	-118.58
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209323	1	45	-2.0	-128.84	365.62	7.53	-121.31
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209324	0	45	-2.0	-130.96	373.17	10.73	-120.23
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)[C@H]1C(=O)[O-]	REAL300013209325	0	48	-2.0	-125.25	383.96	10.22	-115.03
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])S2	REAL300013209326	1	46	-2.0	-119.12	394.66	6.86	-112.26
C=CCCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209327	1	41	-2.0	-119.43	352.92	6.10	-113.33
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=NC=CS1)C(=O)[O-])S2	REAL300013209328	1	40	-2.0	-120.46	363.32	4.86	-115.60
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])S2	REAL300013209329	1	41	-2.0	-112.96	382.25	6.62	-106.34
CC#CCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209330	1	39	-2.0	-120.58	346.71	6.14	-114.44
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)CC1=O	REAL300013209331	1	42	-2.0	-121.89	347.85	6.16	-115.73
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC[C@]1(C)C(=O)[O-])S2	REAL300013209332	1	41	-2.0	-127.18	336.33	7.30	-119.88
CC(C)[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209333	1	40	-2.0	-120.45	335.70	5.35	-115.10
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)S2	REAL300013209334	1	41	-2.0	-127.08	354.14	6.90	-120.18
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209335	1	44	-2.0	-124.75	364.22	6.11	-118.64
CCC[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209336	1	40	-2.0	-119.35	340.11	5.54	-113.81
CCN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(C)C(=O)[O-]	REAL300013209337	1	40	-2.0	-120.88	332.03	7.56	-113.32
CC1(C)CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCCC1)S2	REAL300013209338	1	44	-2.0	-121.39	355.00	8.44	-112.95
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209339	1	43	-2.0	-121.41	349.85	5.75	-115.66
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209340	1	40	-2.0	-111.85	331.14	7.21	-104.64
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(CO)C1)S2	REAL300013209341	1	42	-2.0	-128.40	352.04	2.67	-125.73
CCN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013209342	1	50	-2.0	-126.68	402.46	10.93	-115.75
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209343	1	50	-2.0	-126.11	402.11	6.09	-120.02
CC1CCC(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)(C(=O)[O-])C1	REAL300013209344	1	44	-2.0	-126.63	353.80	6.43	-120.20
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC1(C)C)S2	REAL300013209345	1	47	-2.0	-129.59	364.15	7.16	-122.43
COCCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209346	1	41	-2.0	-117.34	352.28	3.84	-113.50
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)(C(=O)[O-])C1	REAL300013209347	1	44	-2.0	-127.59	356.21	7.09	-120.50
CC1CCC(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)(C(=O)[O-])C2=CC=CC=C21	REAL300013209348	1	51	-2.0	-136.22	403.66	9.13	-127.09
CC1(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])CC1	REAL300013209349	1	41	-2.0	-123.30	342.25	6.13	-117.17
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209350	1	50	-2.0	-126.01	402.52	6.06	-119.95
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])S2	REAL300013209351	1	39	-2.0	-134.46	329.94	3.31	-131.15
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC3(CC3)C3=CC=CC=C3C1C(=O)[O-])S2	REAL300013209352	1	49	-2.0	-131.89	399.20	10.62	-121.27
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCOC1)S2	REAL300013209353	1	42	-2.0	-116.60	348.71	3.81	-112.79
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])S2	REAL300013209354	1	42	-2.0	-130.81	341.24	7.87	-122.94
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CNC3=CC=CC=C13)S2	REAL300013209355	1	45	-2.0	-133.39	386.93	6.91	-126.48
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC3CC1(C(=O)[O-])CO3)S2	REAL300013209356	1	40	-2.0	-126.41	333.06	5.52	-120.89
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C1	REAL300013209357	1	44	-2.0	-133.46	347.48	8.99	-124.47
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209358	1	47	-2.0	-122.25	392.14	8.15	-114.10
CN(C(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C1(C(=O)[O-])CC1	REAL300013209359	1	38	-2.0	-122.95	326.23	6.64	-116.31
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])S2	REAL300013209360	1	48	-2.0	-122.39	390.47	7.94	-114.45
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCC1)S2	REAL300013209361	1	41	-2.0	-121.91	338.30	5.74	-116.17
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)S2	REAL300013209362	1	54	-2.0	-125.43	412.04	7.48	-117.95
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)S2	REAL300013209363	1	47	-2.0	-123.42	377.29	7.24	-116.18
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCC1)S2	REAL300013209364	1	41	-2.0	-121.91	338.30	5.74	-116.17
CC1CCN(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C1C(=O)[O-]	REAL300013209365	1	41	-2.0	-129.02	339.80	7.34	-121.68
C=CCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209366	1	38	-2.0	-118.65	331.93	5.22	-113.43
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1CCCCO1)C(=O)[O-])S2	REAL300013209367	1	48	-2.0	-124.71	392.01	5.98	-118.73
CC1(C)CCC2=C1N=C([N-]C(=O)N1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)S2	REAL300013209368	1	48	-2.0	-133.54	366.69	8.70	-124.84
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)S2	REAL300013209369	1	48	-2.0	-123.24	368.66	5.71	-117.53
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC3=C(CCC3(C)C)S1)C2C(=O)[O-]	REAL300013209370	1	48	-2.0	-127.23	389.32	10.16	-117.07
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])S2	REAL300013209371	1	48	-2.0	-122.39	390.47	7.94	-114.45
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])S2	REAL300013209372	1	44	-2.0	-118.68	383.22	7.92	-110.76
COC1CC(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)(C(=O)[O-])C1	REAL300013209373	1	42	-2.0	-122.71	351.35	4.26	-118.45
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(F)(F)C1)S2	REAL300013209374	1	38	-2.0	-119.41	328.17	5.41	-114.00
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)(C(=O)[O-])C1	REAL300013209375	1	42	-2.0	-122.66	351.38	4.26	-118.40
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)S2	REAL300013209376	1	41	-2.0	-117.78	356.57	6.55	-111.23
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209377	1	44	-2.0	-129.14	349.70	8.54	-120.60
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S2	REAL300013209378	1	37	-2.0	-113.64	334.55	5.47	-108.17
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])S2	REAL300013209379	1	45	-2.0	-118.32	372.74	4.90	-113.42
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])COC1)S2	REAL300013209380	1	36	-2.0	-117.63	310.56	2.42	-115.21
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CC=CS1)C(=O)[O-])S2	REAL300013209381	1	41	-2.0	-119.65	368.68	6.91	-112.74
COCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013209382	1	48	-2.0	-130.27	395.56	6.74	-123.53
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209383	1	43	-2.0	-122.99	337.67	5.69	-117.30
CC1(C)CCC2=C1N=C([N-]C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])S2	REAL300013209384	1	39	-2.0	-131.81	326.55	7.90	-123.91
CC1(C)CCC2=C1N=C([N-]C(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])S2	REAL300013209385	1	42	-2.0	-131.30	342.35	7.39	-123.91
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209386	1	47	-2.0	-118.83	382.49	9.86	-108.97
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])S2	REAL300013209387	1	50	-2.0	-122.76	398.94	7.98	-114.78
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])S2	REAL300013209388	1	47	-2.0	-121.59	400.02	8.56	-113.03
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])S2	REAL300013209389	1	47	-2.0	-121.54	399.78	8.63	-112.91
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CC3CCC1C3)S2	REAL300013209390	1	48	-2.0	-125.21	379.06	7.45	-117.76
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])S2	REAL300013209391	1	50	-2.0	-122.65	398.74	8.07	-114.58
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])S2	REAL300013209392	1	50	-2.0	-122.67	398.96	7.98	-114.69
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC3(CCCC3)CC1C(=O)[O-])S2	REAL300013209393	1	48	-2.0	-132.77	381.43	8.81	-123.96
CC1(C)CCC2=C1N=C([N-]C(=O)N1C[C@H]3CCCC[C@H]3[C@@H]1C(=O)[O-])S2	REAL300013209394	1	48	-2.0	-132.03	378.04	8.52	-123.51
COC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])C=C1	REAL300013209395	1	48	-2.0	-120.92	406.54	7.09	-113.83
C=CCSCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209396	1	42	-2.0	-120.06	376.36	6.65	-113.41
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])S2	REAL300013209397	1	45	-2.0	-116.12	397.88	8.18	-107.94
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209398	1	43	-2.0	-122.25	347.74	8.39	-113.86
COC1(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])CCC1	REAL300013209399	1	45	-2.0	-120.88	366.21	4.45	-116.43
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)S2	REAL300013209400	1	47	-2.0	-122.28	380.54	7.73	-114.55
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC3=CC=CC=C3C1)S2	REAL300013209401	1	48	-2.0	-130.33	386.10	8.82	-121.51
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(C(F)F)C1)S2	REAL300013209402	1	41	-2.0	-125.12	351.62	6.24	-118.88
CC1(C)CCC2=C1N=C(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)S2	REAL300013209403	0	41	-2.0	-119.07	351.87	7.18	-111.89
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)S2	REAL300013209403	1	40	-3.0	-203.90	348.64	5.99	-197.91
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])C=C1	REAL300013209404	1	50	-2.0	-127.01	414.37	8.83	-118.18
CC1(C)CCC2=C1N=C([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])S2	REAL300013209405	1	38	-2.0	-121.93	325.72	6.84	-115.09
CC1(C)CCC2=C1N=C([N-]C(=O)N1C3C=CC(C3)C1C(=O)[O-])S2	REAL300013209406	1	40	-2.0	-132.52	335.70	7.62	-124.90
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC(C)(C)C1C(=O)[O-])S2	REAL300013209407	1	44	-2.0	-130.00	351.56	7.71	-122.29
CCOC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C(=O)[O-])C=C1	REAL300013209408	1	48	-2.0	-124.55	405.88	7.15	-117.40
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC3(CCC3)CCC1C(=O)[O-])S2	REAL300013209409	1	48	-2.0	-135.82	376.87	9.83	-125.99
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCC3=CC=CC=C31)S2	REAL300013209410	1	48	-2.0	-123.12	389.52	8.38	-114.74
CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209411	1	48	-2.0	-127.83	397.20	7.81	-120.02
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])S2	REAL300013209412	1	44	-2.0	-119.68	390.79	7.85	-111.83
CC(C)CCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209413	1	46	-2.0	-120.01	379.17	6.84	-113.17
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC3(CCC3)CC1C(=O)[O-])S2	REAL300013209414	1	45	-2.0	-134.32	368.82	8.32	-126.00
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])S2	REAL300013209415	1	45	-2.0	-118.32	372.74	4.90	-113.42
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C1	REAL300013209416	1	42	-2.0	-123.66	363.44	7.73	-115.93
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209417	1	38	-2.0	-115.31	324.52	1.42	-113.89
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC3CC31)S2	REAL300013209418	1	45	-2.0	-129.56	353.99	7.54	-122.02
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC3CC31)S2	REAL300013209419	1	42	-2.0	-128.23	341.13	6.64	-121.59
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3(CCC3)C1)S2	REAL300013209420	1	45	-2.0	-127.68	362.40	7.00	-120.68
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC3(CC1C(=O)[O-])CCCCC3)S2	REAL300013209421	1	51	-2.0	-134.34	395.73	9.27	-125.07
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCC1)S2	REAL300013209422	1	44	-2.0	-122.98	354.78	6.36	-116.62
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209423	1	41	-2.0	-122.34	348.64	4.01	-118.33
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209424	1	41	-2.0	-126.04	332.79	5.91	-120.13
CC1(C)CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)S2	REAL300013209425	1	44	-2.0	-123.03	377.65	9.89	-113.14
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C1	REAL300013209426	1	44	-2.0	-132.20	359.41	7.61	-124.59
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC(F)(F)CC1C(=O)[O-])S2	REAL300013209427	1	41	-2.0	-123.00	342.63	8.24	-114.76
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC(F)(F)C1C(=O)[O-])S2	REAL300013209428	1	38	-2.0	-123.79	330.91	6.89	-116.90
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])S2	REAL300013209429	1	44	-2.0	-118.68	383.22	7.92	-110.76
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])S2	REAL300013209430	1	41	-2.0	-118.91	367.03	6.73	-112.18
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])S2	REAL300013209431	1	41	-2.0	-116.45	348.40	7.42	-109.03
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3(CC(F)(F)C3)C1)S2	REAL300013209432	1	45	-2.0	-125.79	381.56	7.44	-118.35
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])S2	REAL300013209433	1	41	-2.0	-118.91	367.03	6.73	-112.18
CC1(C)CCC2=C1N=C([N-]C(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])S2	REAL300013209434	1	45	-2.0	-131.36	357.16	7.90	-123.46
CC1(C)CCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=C(O)C=C1)S2	REAL300013209435	1	42	-2.0	-124.21	365.56	4.08	-120.13
COCCCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209436	1	44	-2.0	-120.23	372.95	4.65	-115.58
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300013209437	1	43	-2.0	-112.73	352.61	7.99	-104.74
CCOCC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209438	1	41	-2.0	-122.65	351.84	3.99	-118.66
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209439	1	46	-2.0	-121.07	369.47	7.19	-113.88
CC1(C)CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCCO1)S2	REAL300013209440	1	45	-2.0	-125.61	367.37	4.94	-120.67
CC1(C)CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)S2	REAL300013209441	1	45	-2.0	-130.27	374.35	8.06	-122.21
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)[C@@H]1C(=O)[O-]	REAL300013209442	1	42	-2.0	-128.02	342.37	6.30	-121.72
CC1(C)CCC2=C1N=C([N-]C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])S2	REAL300013209443	1	44	-2.0	-112.31	362.17	8.03	-104.28
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CCC#N)C(=O)[O-])S2	REAL300013209444	1	38	-2.0	-113.24	338.64	5.31	-107.93
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=COC3=CC=CC=C13)C(=O)[O-])S2	REAL300013209445	1	47	-2.0	-125.06	406.71	8.10	-116.96
CC1(C)CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=CO1)S2	REAL300013209446	1	41	-2.0	-122.68	359.34	8.03	-114.65
CC1(C)CCC2=C1N=C([N-]C(=O)N1CC3(CCOCC3)CCC1C(=O)[O-])S2	REAL300013209447	1	52	-2.0	-134.51	393.73	8.64	-125.87
CC1(C)CCC2=C1N=C([N-]C(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])S2	REAL300013209448	1	43	-2.0	-117.59	388.54	6.48	-111.11
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C1	REAL300013209449	1	45	-2.0	-123.14	373.57	6.76	-116.38
C=CCN(C(=O)[N-]C1=NC=C(CCC)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013209450	1	47	-2.0	-111.05	397.22	11.06	-99.99
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300013209451	1	40	-2.0	-123.33	372.03	7.76	-115.57
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])S1	REAL300013209452	1	46	-2.0	-127.02	400.68	9.58	-117.44
CCCC1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013209453	1	46	-2.0	-123.09	379.21	7.70	-115.39
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013209454	1	43	-2.0	-119.24	370.12	10.27	-108.97
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300013209455	1	40	-2.0	-127.75	356.22	7.33	-120.42
CCCC1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013209456	1	33	-2.0	-113.33	314.81	5.19	-108.14
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300013209457	1	43	-2.0	-130.70	380.41	8.87	-121.83
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300013209458	1	38	-2.0	-120.38	326.08	6.34	-114.04
CCCC1=CN=C([N-]C(=O)NC(C)(COC)C(=O)[O-])S1	REAL300013209459	1	37	-2.0	-124.82	321.26	4.11	-120.71
CCCC1=CN=C([N-]C(=O)N(C)C(COCC)C(=O)[O-])S1	REAL300013209460	1	40	-2.0	-113.58	343.99	6.19	-107.39
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(CC)C2=CC=CC=C2)S1	REAL300013209461	1	46	-2.0	-117.96	385.03	10.29	-107.67
CCCC1=CN=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300013209462	1	36	-2.0	-110.91	338.55	7.76	-103.15
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013209463	1	43	-2.0	-124.53	352.62	6.71	-117.82
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013209464	1	38	-2.0	-124.28	345.83	3.79	-120.49
CCCC1=CN=C([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])S1	REAL300013209465	1	44	-2.0	-115.03	371.14	7.59	-107.44
CCCC1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)S1	REAL300013209466	1	44	-2.0	-128.67	374.29	10.85	-117.82
C=CCOCC(NC(=O)[N-]C1=NC=C(CCC)S1)C(=O)[O-]	REAL300013209467	1	38	-2.0	-123.14	345.36	4.34	-118.80
CCCC1=CN=C([N-]C(=O)N2CCCC(O)C2C(=O)[O-])S1	REAL300013209468	1	38	-2.0	-139.38	319.24	5.36	-134.02
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013209469	1	41	-2.0	-123.21	342.80	4.37	-118.84
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300013209470	1	37	-2.0	-116.66	347.76	6.69	-109.97
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300013209471	1	37	-2.0	-117.38	357.65	7.14	-110.24
CCCC1=CN=C([N-]C(=O)N2CCC(OC)CC2C(=O)[O-])S1	REAL300013209472	1	41	-2.0	-133.84	343.97	6.92	-126.92
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)S1	REAL300013209473	1	41	-2.0	-119.98	343.35	4.31	-115.67
CCCC1=CN=C([N-]C(=O)N2CCC(C)CC2C(=O)[O-])S1	REAL300013209474	1	40	-2.0	-135.45	325.67	8.29	-127.16
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)S1	REAL300013209475	1	40	-2.0	-120.29	361.75	7.27	-113.02
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300013209476	1	42	-2.0	-125.87	370.34	6.46	-119.41
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300013209477	1	43	-2.0	-129.77	377.23	7.94	-121.83
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)S1	REAL300013209478	1	43	-2.0	-129.54	373.24	7.86	-121.68
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)S1	REAL300013209479	1	42	-2.0	-125.01	374.67	3.73	-121.28
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)S1	REAL300013209480	1	41	-2.0	-122.98	380.34	6.51	-116.47
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013209481	1	37	-2.0	-120.27	351.79	7.09	-113.18
CCCC1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013209482	1	35	-2.0	-126.84	311.56	7.96	-118.88
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013209483	1	40	-2.0	-127.34	328.39	6.67	-120.67
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300013209484	1	43	-2.0	-127.64	334.05	7.33	-120.31
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013209485	1	40	-2.0	-121.65	357.25	7.51	-114.14
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013209486	1	40	-2.0	-119.62	357.92	9.62	-110.00
CCCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013209487	1	37	-2.0	-127.60	335.05	6.57	-121.03
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013209488	1	37	-2.0	-127.39	334.41	6.61	-120.78
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013209489	1	40	-2.0	-121.65	357.25	7.51	-114.14
CCCC1=CN=C([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300013209490	1	41	-2.0	-136.56	349.52	10.05	-126.51
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)S1	REAL300013209491	1	34	-2.0	-124.21	326.67	5.66	-118.55
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013209492	1	40	-2.0	-127.34	328.39	6.67	-120.67
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)S1	REAL300013209493	1	40	-2.0	-114.03	374.65	10.14	-103.89
CCCC1=CN=C([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013209494	1	44	-2.0	-127.32	386.30	7.59	-119.73
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)S1	REAL300013209495	1	48	-2.0	-123.88	416.91	8.22	-115.66
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)S1	REAL300013209496	1	37	-2.0	-120.28	356.35	7.19	-113.09
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300013209497	1	40	-2.0	-113.55	364.33	9.68	-103.87
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013209498	1	41	-2.0	-130.99	352.99	7.72	-123.27
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300013209499	1	37	-2.0	-126.29	345.90	6.73	-119.56
CCCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013209500	1	40	-2.0	-129.41	343.14	7.33	-122.08
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(CCC)S1)C(=O)[O-]	REAL300013209501	1	48	-2.0	-123.43	389.01	7.92	-115.51
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)S1	REAL300013209502	1	41	-2.0	-120.93	380.00	7.47	-113.46
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013209503	1	37	-2.0	-120.27	351.79	7.09	-113.18
CCCC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013209504	1	43	-2.0	-126.48	339.81	8.39	-118.09
CCCC1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013209505	1	43	-2.0	-119.67	380.33	10.40	-109.27
CCCC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013209506	1	40	-2.0	-120.60	344.59	8.56	-112.04
CCCC1=CN=C([N-]C(=O)N(CCOC)CC(=O)[O-])S1	REAL300013209507	1	37	-2.0	-117.25	330.30	5.78	-111.47
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)S1	REAL300013209508	1	41	-2.0	-134.76	349.73	7.59	-127.17
CCCC1=CN=C([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013209509	1	44	-2.0	-127.78	391.20	7.45	-120.33
CCCC1=CN=C([N-]C(=O)N2CCCCCC2C(=O)[O-])S1	REAL300013209510	1	40	-2.0	-133.07	326.50	8.57	-124.50
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300013209511	1	38	-2.0	-126.56	345.84	3.79	-122.77
CCCC1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013209512	1	43	-2.0	-119.67	380.33	10.40	-109.27
CCCC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013209513	1	43	-2.0	-126.48	339.81	8.39	-118.09
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013209514	1	40	-2.0	-116.85	336.24	8.26	-108.59
CCCCCC(NC(=O)[N-]C1=NC=C(CCC)S1)C(=O)[O-]	REAL300013209515	1	42	-2.0	-119.64	363.37	6.82	-112.82
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(CC)CC2)S1	REAL300013209516	1	46	-2.0	-127.67	367.46	7.92	-119.75
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013209517	1	41	-2.0	-117.21	343.70	6.51	-110.70
CCCC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)S1	REAL300013209518	1	40	-2.0	-131.03	327.79	7.75	-123.28
CCCC1=CN=C([N-]C(=O)N(C(CC)C(=O)[O-])C2CC2)S1	REAL300013209519	1	40	-2.0	-114.50	333.43	8.36	-106.14
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)S1	REAL300013209520	1	37	-2.0	-127.97	346.94	7.00	-120.97
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)S1	REAL300013209521	1	37	-2.0	-132.27	339.46	6.66	-125.61
CCCC1=CN=C([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013209522	1	41	-2.0	-126.99	352.03	9.38	-117.61
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)S1	REAL300013209523	1	43	-2.0	-128.65	365.78	7.71	-120.94
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300013209524	1	41	-2.0	-123.01	370.54	6.03	-116.98
CCCC1=CN=C([N-]C(=O)N(C(COC)C(=O)[O-])C2CC2)S1	REAL300013209525	1	41	-2.0	-112.32	347.41	7.88	-104.44
CCCC1=CN=C([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)S1	REAL300013209526	1	40	-2.0	-121.09	332.53	8.68	-112.41
CCCC1=CN=C([N-]C(=O)N(CCC)C(COC)C(=O)[O-])S1	REAL300013209527	1	43	-2.0	-116.30	358.46	6.91	-109.39
CCCC1=CN=C([N-]C(=O)N(CCC)C(CC)C(=O)[O-])S1	REAL300013209528	1	42	-2.0	-111.93	347.15	8.42	-103.51
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300013209529	1	38	-2.0	-122.54	319.81	4.18	-118.36
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)S1	REAL300013209530	1	41	-2.0	-124.77	364.31	5.94	-118.83
CCCC1=CN=C([N-]C(=O)NC(CC)(COC)C(=O)[O-])S1	REAL300013209531	1	40	-2.0	-127.02	337.94	5.02	-122.00
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)S1	REAL300013209532	1	40	-2.0	-121.26	344.86	2.65	-118.61
CCCC1=CN=C([N-]C(=O)NC(CCOC)C(=O)[O-])S1	REAL300013209533	1	37	-2.0	-117.21	332.31	3.62	-113.59
CCCC1=CN=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S1	REAL300013209534	1	33	-2.0	-113.66	310.98	4.85	-108.81
CCCC1=CN=C([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013209535	1	43	-2.0	-124.14	376.54	8.73	-115.41
CCCC1=CN=C([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013209536	1	43	-2.0	-130.73	359.85	8.21	-122.52
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)S1	REAL300013209537	1	47	-2.0	-126.54	384.40	5.78	-120.76
CCCC1=CN=C([N-]C(=O)NC(CC2(OC)CCC2)C(=O)[O-])S1	REAL300013209538	1	44	-2.0	-125.39	370.37	5.58	-119.81
CCCC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013209539	1	44	-2.0	-123.44	373.49	7.75	-115.69
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013209540	1	41	-2.0	-117.21	343.70	6.51	-110.70
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)S1	REAL300013209541	1	43	-2.0	-118.42	352.65	8.89	-109.53
CCCC1=CN=C([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)S1	REAL300013209542	1	43	-2.0	-128.11	342.20	7.05	-121.06
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013209543	1	41	-2.0	-129.38	364.56	5.86	-123.52
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)S1	REAL300013209544	1	37	-2.0	-126.72	348.57	7.06	-119.66
CCCC1=CN=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S1	REAL300013209545	1	36	-2.0	-116.52	309.61	4.97	-111.55
CCCC1=CN=C([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])S1	REAL300013209546	1	38	-2.0	-123.21	334.63	7.51	-115.70
CCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013209547	1	41	-2.0	-129.25	363.91	5.91	-123.34
CCCC1=CN=C([N-]C(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])S1	REAL300013209548	1	43	-2.0	-129.55	366.23	8.54	-121.01
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])S1	REAL300013209549	1	44	-2.0	-123.73	386.81	6.82	-116.91
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)S1	REAL300013209550	1	46	-2.0	-129.48	356.31	7.55	-121.93
CCCC1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])S1	REAL300013209551	1	43	-2.0	-120.93	377.18	8.18	-112.75
CCCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300013209552	1	42	-2.0	-127.80	371.33	8.00	-119.80
CCCC1=CN=C([N-]C(=O)N2CC(OC)CC2(C)C(=O)[O-])S1	REAL300013209553	1	41	-2.0	-126.70	349.79	6.03	-120.67
CCCC1=CN=C([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])S1	REAL300013209554	1	44	-2.0	-122.01	365.80	6.08	-115.93
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CCC)S1)C(=O)[O-]	REAL300013209555	1	34	-2.0	-116.58	327.11	5.68	-110.90
CCCC1=CN=C([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)S1	REAL300013209556	1	38	-2.0	-132.22	319.37	7.84	-124.38
CCCC1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013209557	1	43	-2.0	-120.73	366.86	7.73	-113.00
CCCC1=CN=C([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300013209558	1	34	-2.0	-117.26	312.44	6.67	-110.59
CCCC1=CN=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013209559	1	34	-2.0	-122.65	306.79	6.32	-116.33
CCCC1=CN=C([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300013209560	1	44	-2.0	-120.46	369.50	5.34	-115.12
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013209561	1	41	-2.0	-123.21	342.80	4.37	-118.84
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013209562	1	37	-2.0	-127.39	334.41	6.61	-120.78
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300013209563	1	40	-2.0	-122.41	373.79	7.56	-114.85
CCCC1=CN=C([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])S1	REAL300013209564	1	36	-2.0	-118.85	343.03	4.70	-114.15
CCCC1=CN=C([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])S1	REAL300013209565	1	45	-2.0	-119.98	380.70	7.40	-112.58
CCCC1=CN=C([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])S1	REAL300013209566	1	43	-2.0	-125.04	386.88	7.96	-117.08
CCCC1=CN=C([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])S1	REAL300013209567	1	41	-2.0	-127.11	355.07	4.88	-122.23
CCCC1=CN=C([N-]C(=O)NC(CSC)C(=O)[O-])S1	REAL300013209568	1	34	-2.0	-119.41	322.34	4.92	-114.49
CCCC1=CN=C([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013209569	1	40	-2.0	-117.07	363.67	7.57	-109.50
CCCC1=CN=C([N-]C(=O)NC(CC(C)CC)C(=O)[O-])S1	REAL300013209570	1	42	-2.0	-120.83	355.57	6.52	-114.31
C=CCCCC(NC(=O)[N-]C1=NC=C(CCC)S1)C(=O)[O-]	REAL300013209571	1	40	-2.0	-119.36	354.44	6.67	-112.69
CCCC1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013209572	1	40	-2.0	-117.02	363.42	7.64	-109.38
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300013209573	1	43	-2.0	-136.12	375.77	8.73	-127.39
CCCC1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013209574	1	35	-2.0	-126.84	311.56	7.96	-118.88
CCCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013209575	1	40	-2.0	-129.41	343.14	7.33	-122.08
CCCC1=CN=C([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])S1	REAL300013209576	1	38	-2.0	-135.14	322.19	8.18	-126.96
CCCC1=CN=C([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013209577	1	42	-2.0	-120.19	356.75	8.10	-112.09
CCCC1=CN=C([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])S1	REAL300013209578	1	38	-2.0	-128.47	323.58	7.54	-120.93
CCCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013209579	1	37	-2.0	-127.60	335.05	6.57	-121.03
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300013209580	1	40	-2.0	-118.51	373.79	7.57	-110.94
CCCC1=CN=C([N-]C(=O)NC(CC(C)CC)C(=O)[O-])S1	REAL300013209583	1	42	-2.0	-120.83	355.57	6.52	-114.31
CCCC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])S1	REAL300013209584	1	43	-2.0	-115.90	362.12	9.46	-106.44
CCCC1=CN=C([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])S1	REAL300013209585	1	40	-2.0	-121.08	351.52	6.41	-114.67
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013209586	1	39	-2.0	-118.37	352.43	5.74	-112.63
CCCC1=CN=C([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])S1	REAL300013209587	1	43	-2.0	-114.33	363.65	6.85	-107.48
CCCC1=CN=C([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])S1	REAL300013209588	1	42	-2.0	-111.86	350.33	8.28	-103.58
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)S1	REAL300013209589	1	36	-2.0	-130.32	331.18	5.06	-125.26
CCCC1=CN=C([N-]C(=O)N2CCCC2(CCC)C(=O)[O-])S1	REAL300013209590	1	43	-2.0	-130.21	354.08	8.89	-121.32
CCCC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013209591	1	43	-2.0	-115.85	362.06	9.46	-106.39
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013209594	1	39	-2.0	-118.37	352.43	5.74	-112.63
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)S1	REAL300013209595	1	36	-2.0	-123.64	329.94	4.79	-118.85
CCCC1=CN=C([N-]C(=O)N2CCCC2(COC)C(=O)[O-])S1	REAL300013209596	1	41	-2.0	-128.29	345.49	7.29	-121.00
CCCC1=CN=C([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])S1	REAL300013209597	0	41	-2.0	-131.71	353.42	10.51	-121.20
CCCC1=CN=C([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])S1	REAL300013209598	0	44	-2.0	-121.56	364.15	9.96	-111.60
CCCC1=CN=C([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])S1	REAL300013209599	1	42	-2.0	-119.21	375.16	6.52	-112.69
CCCC1=CN=C([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300013209600	1	36	-2.0	-120.82	343.59	4.58	-116.24
CCCC1=CN=C([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300013209601	1	37	-2.0	-112.98	363.34	6.32	-106.66
CCCC1=CN=C([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])S1	REAL300013209602	1	38	-2.0	-122.64	327.98	5.88	-116.76
CCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013209603	1	37	-2.0	-127.76	335.01	6.58	-121.18
CCCC1=CN=C([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])S1	REAL300013209604	1	40	-2.0	-127.50	348.83	5.92	-121.58
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013209605	1	40	-2.0	-116.85	336.24	8.26	-108.59
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)S1	REAL300013209606	1	38	-2.0	-129.17	332.28	2.44	-126.73
CCCC1=CN=C([N-]C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013209607	1	46	-2.0	-127.22	382.68	10.70	-116.52
CCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)S1	REAL300013209608	1	46	-2.0	-125.65	379.33	5.68	-119.97
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)S1	REAL300013209609	1	40	-2.0	-127.92	333.92	6.17	-121.75
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)S1	REAL300013209610	1	43	-2.0	-130.25	342.75	6.80	-123.45
CCCC1=CN=C([N-]C(=O)NC(CCOC)C(=O)[O-])S1	REAL300013209611	1	37	-2.0	-117.21	332.31	3.62	-113.59
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300013209612	1	40	-2.0	-128.57	336.44	6.86	-121.71
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)S1	REAL300013209613	1	47	-2.0	-136.96	383.90	8.91	-128.05
CCCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)S1	REAL300013209614	1	46	-2.0	-125.75	382.67	5.78	-119.97
CCCC1=CN=C([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])S1	REAL300013209615	1	45	-2.0	-127.94	379.44	10.33	-117.61
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOC2)S1	REAL300013209616	1	38	-2.0	-117.66	331.59	3.64	-114.02
CCCC1=CN=C([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])S1	REAL300013209617	1	38	-2.0	-132.01	321.62	7.63	-124.38
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300013209618	1	41	-2.0	-133.77	366.73	6.71	-127.06
CCCC1=CN=C([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)S1	REAL300013209619	1	36	-2.0	-127.60	313.33	5.30	-122.30
CCCC1=CN=C([N-]C(=O)N2CC(C)CCC2C(=O)[O-])S1	REAL300013209620	1	40	-2.0	-135.05	332.32	8.49	-126.56
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013209621	1	43	-2.0	-122.80	372.20	7.84	-114.96
CCCC1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013209622	1	44	-2.0	-122.89	371.56	7.65	-115.24
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)S1	REAL300013209623	1	50	-2.0	-125.96	392.30	7.24	-118.72
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013209624	1	43	-2.0	-124.53	352.62	6.71	-117.82
CCCC1=CN=C([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300013209625	1	44	-2.0	-124.02	371.11	6.23	-117.79
CCCC1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)S1	REAL300013209626	1	44	-2.0	-126.79	346.94	8.38	-118.41
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)S1	REAL300013209627	1	44	-2.0	-123.94	348.94	5.46	-118.48
CCCC1=CN=C([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])S1	REAL300013209628	1	43	-2.0	-123.74	395.26	8.84	-114.90
CCCC1=CN=C([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])S1	REAL300013209629	1	44	-2.0	-127.80	369.60	9.87	-117.93
CCCC1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013209630	1	44	-2.0	-122.89	371.56	7.65	-115.24
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013209631	1	40	-2.0	-119.22	363.72	7.59	-111.63
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(OC)C2)S1	REAL300013209632	1	38	-2.0	-123.35	331.59	4.03	-119.32
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)S1	REAL300013209633	1	34	-2.0	-120.01	308.43	5.19	-114.82
CCCC1=CN=C([N-]C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)S1	REAL300013209634	1	38	-2.0	-122.97	331.74	4.01	-118.96
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)S1	REAL300013209635	1	37	-2.0	-119.64	340.12	5.99	-113.65
CCCC1=CN=C([N-]C(=O)N2CCCC2(CC)C(=O)[O-])S1	REAL300013209636	1	40	-2.0	-129.80	329.85	8.28	-121.52
CCCC1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013209637	1	33	-2.0	-113.33	314.81	5.19	-108.14
CCCC1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013209638	1	41	-2.0	-120.43	352.69	4.51	-115.92
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])S1	REAL300013209639	1	37	-2.0	-119.55	349.25	6.57	-112.98
CCCC1=CN=C([N-]C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013209640	1	44	-2.0	-130.57	375.83	6.50	-124.07
CCCC1=CN=C([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013209641	1	38	-2.0	-132.16	322.59	7.13	-125.03
CCCC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013209642	1	43	-2.0	-115.85	362.06	9.46	-106.39
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])S1	REAL300013209643	1	44	-2.0	-123.31	396.49	7.10	-116.21
CCCC1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013209644	1	46	-2.0	-123.09	379.21	7.70	-115.39
CCCC1=CN=C([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013209645	1	43	-2.0	-121.79	380.28	8.28	-113.51
CCCC1=CN=C([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013209646	1	43	-2.0	-121.56	380.04	8.35	-113.21
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300013209647	1	44	-2.0	-125.50	359.32	7.16	-118.34
CCCC1=CN=C([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013209648	1	46	-2.0	-122.98	379.23	7.71	-115.27
CCCC1=CN=C([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013209649	1	46	-2.0	-123.05	379.21	7.71	-115.34
CCCC1=CN=C([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])S1	REAL300013209650	1	44	-2.0	-127.20	361.78	8.53	-118.67
CCCC1=CN=C([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])S1	REAL300013209651	1	44	-2.0	-132.49	357.20	8.32	-124.17
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)S1	REAL300013209652	1	44	-2.0	-127.60	399.18	7.19	-120.41
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])S1	REAL300013209653	1	44	-2.0	-121.42	385.91	6.84	-114.58
C=CCSCC(NC(=O)[N-]C1=NC=C(CCC)S1)C(=O)[O-]	REAL300013209654	1	38	-2.0	-120.10	356.61	6.37	-113.73
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])S1	REAL300013209655	1	41	-2.0	-116.08	377.24	7.94	-108.14
CCCC1=CN=C([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])S1	REAL300013209656	1	44	-2.0	-133.79	396.94	7.50	-126.29
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(OC)CCC2)S1	REAL300013209657	1	41	-2.0	-121.05	346.46	4.17	-116.88
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)S1	REAL300013209658	1	43	-2.0	-122.86	360.80	7.50	-115.36
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)S1	REAL300013209659	1	44	-2.0	-131.45	366.35	8.59	-122.86
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)S1	REAL300013209660	1	37	-2.0	-122.50	330.12	5.88	-116.62
CCCC1=CN=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013209661	0	37	-2.0	-127.22	332.13	6.96	-120.26
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013209661	1	36	-3.0	-200.99	327.51	5.64	-195.35
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300013209662	1	49	-2.0	-127.40	411.02	8.98	-118.42
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300013209663	1	46	-2.0	-127.24	395.04	8.58	-118.66
CCCC1=CN=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013209664	1	34	-2.0	-122.65	306.79	6.32	-116.33
CCCC1=CN=C([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])S1	REAL300013209665	1	36	-2.0	-123.75	315.31	7.35	-116.40
CCCC1=CN=C([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])S1	REAL300013209666	1	40	-2.0	-131.45	333.45	7.29	-124.16
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC)C=C2)S1	REAL300013209667	1	44	-2.0	-124.59	386.14	6.87	-117.72
CCCC1=CN=C([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])S1	REAL300013209668	1	44	-2.0	-136.92	355.71	9.53	-127.39
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300013209669	1	44	-2.0	-123.75	375.49	8.47	-115.28
CCCC1=CN=C([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])S1	REAL300013209670	1	44	-2.0	-128.32	377.47	7.57	-120.75
CCCC1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])S1	REAL300013209671	1	40	-2.0	-120.18	371.02	7.56	-112.62
CCCC1=CN=C([N-]C(=O)NC(CCC(C)C)C(=O)[O-])S1	REAL300013209672	1	42	-2.0	-120.13	359.44	6.56	-113.57
CCCC1=CN=C([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])S1	REAL300013209673	1	41	-2.0	-128.75	349.13	8.05	-120.70
CCCC1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013209674	1	41	-2.0	-120.43	352.69	4.51	-115.92
CCCC1=CN=C([N-]C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])S1	REAL300013209675	1	38	-2.0	-124.61	343.73	7.51	-117.10
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)S1	REAL300013209676	1	41	-2.0	-130.41	334.22	7.31	-123.10
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)S1	REAL300013209677	1	38	-2.0	-128.90	321.37	6.40	-122.50
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300013209678	1	41	-2.0	-128.57	342.63	6.77	-121.80
CCCC1=CN=C([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300013209679	1	47	-2.0	-128.74	375.98	9.01	-119.73
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCC2)S1	REAL300013209680	1	40	-2.0	-123.15	335.04	6.08	-117.07
CCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S1	REAL300013209681	1	37	-2.0	-122.35	328.88	3.74	-118.61
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013209682	1	40	-2.0	-119.62	357.92	9.62	-110.00
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300013209683	1	47	-2.0	-127.97	408.99	10.06	-117.91
CCCC1=CN=C([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])S1	REAL300013209684	1	40	-2.0	-126.36	339.73	7.36	-119.00
CCCC1=CN=C([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])S1	REAL300013209685	1	41	-2.0	-126.19	360.61	9.87	-116.32
CCCC1=CN=C([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])S1	REAL300013209686	1	37	-2.0	-125.15	322.81	8.11	-117.04
CCCC1=CN=C([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])S1	REAL300013209687	1	34	-2.0	-124.88	311.16	6.65	-118.23
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013209688	1	40	-2.0	-119.22	363.72	7.59	-111.63
CCCC1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013209689	1	37	-2.0	-119.23	348.12	6.42	-112.81
CCCC1=CN=C([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])S1	REAL300013209690	1	37	-2.0	-116.59	328.66	7.18	-109.41
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)S1	REAL300013209691	1	41	-2.0	-126.68	361.82	7.21	-119.47
CCCC1=CN=C([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])S1	REAL300013209692	1	45	-2.0	-127.50	386.73	8.90	-118.60
CCCC1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013209693	1	37	-2.0	-119.23	348.12	6.42	-112.81
CCCC1=CN=C([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013209694	1	41	-2.0	-133.22	337.77	7.91	-125.31
CCCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013209695	1	38	-2.0	-124.34	346.05	3.72	-120.62
CCCC1=CN=C([N-]C(=O)NC(CCCOC)C(=O)[O-])S1	REAL300013209696	1	40	-2.0	-120.38	354.05	4.33	-116.05
CCCC1=CN=C([N-]C(=O)NC(COCC)C(=O)[O-])S1	REAL300013209697	1	37	-2.0	-122.32	332.59	3.71	-118.61
CCCC1=CN=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S1	REAL300013209698	1	42	-2.0	-121.05	349.47	6.97	-114.08
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)S1	REAL300013209699	1	41	-2.0	-126.13	349.37	4.64	-121.49
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300013209700	1	37	-2.0	-123.17	356.35	7.18	-115.99
CCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013209701	1	41	-2.0	-130.99	352.99	7.72	-123.27
CCCC1=CN=C([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])S1	REAL300013209702	1	38	-2.0	-130.10	322.64	6.11	-123.99
CCCC1=CN=C([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])S1	REAL300013209703	1	40	-2.0	-112.27	342.16	7.69	-104.58
CCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)S1	REAL300013209704	1	51	-2.0	-131.35	391.42	8.61	-122.74
CCCC1=CN=C([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])S1	REAL300013209705	1	43	-2.0	-124.13	381.78	7.90	-116.23
CCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)S1	REAL300013209706	1	37	-2.0	-116.89	339.58	7.75	-109.14
CCCC1=CN=C([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])S1	REAL300013209707	1	48	-2.0	-135.95	374.01	8.44	-127.51
CCCC1=CN=C([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300013209708	1	39	-2.0	-117.01	369.09	6.13	-110.88
CCCC1=CN=C([N-]C(=O)N2C[C@H](OCC)C[C@H]2C(=O)[O-])S1	REAL300013209709	1	41	-2.0	-123.74	353.83	6.54	-117.20
O=C([O-])C1CC(NC(=O)NC2=CC3=C(C=N2)CCC3)(C(=O)[O-])C1	REAL300013209920	0	38	-2.0	-130.44	322.46	7.59	-122.85
C=CCN(C(=O)[N-]C1=NC=C(COC)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013209966	1	45	-2.0	-111.63	387.90	8.56	-103.07
COCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300013209967	1	38	-2.0	-123.72	362.47	5.33	-118.39
COCC1=CN=C([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])S1	REAL300013209968	1	44	-2.0	-127.49	391.59	7.01	-120.48
COCC1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013209969	1	44	-2.0	-123.36	369.89	5.20	-118.16
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013209970	1	41	-2.0	-119.73	360.79	7.77	-111.96
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300013209971	1	38	-2.0	-128.26	347.10	4.74	-123.52
COCC1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013209972	1	31	-2.0	-113.41	305.49	2.69	-110.72
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300013209973	1	41	-2.0	-130.56	371.43	6.41	-124.15
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300013209974	1	36	-2.0	-120.81	316.76	3.84	-116.97
COCC1=CN=C([N-]C(=O)NC(C)(COC)C(=O)[O-])S1	REAL300013209975	1	35	-2.0	-124.79	311.94	1.61	-123.18
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(COC)S1	REAL300013209976	1	38	-2.0	-113.45	334.05	3.60	-109.85
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300013209977	1	37	-2.0	-118.13	325.76	5.39	-112.74
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(COC)S1	REAL300013209978	1	44	-2.0	-116.17	370.99	7.78	-108.39
COCC1=CN=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300013209979	1	34	-2.0	-111.59	329.23	5.25	-106.34
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300013209980	1	33	-2.0	-121.54	295.20	0.48	-121.06
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013209981	1	41	-2.0	-124.01	342.63	4.28	-119.73
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013209982	1	36	-2.0	-124.19	336.51	1.29	-122.90
COCC1=CN=C([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])S1	REAL300013209983	1	42	-2.0	-114.90	361.21	5.00	-109.90
COCC1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)S1	REAL300013209984	1	42	-2.0	-128.69	364.97	8.35	-120.34
C=CCOCC(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013209985	1	36	-2.0	-122.98	336.17	1.78	-121.20
COCC1=CN=C([N-]C(=O)N2CCCC(O)C2C(=O)[O-])S1	REAL300013209986	1	36	-2.0	-139.48	309.92	2.86	-136.62
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013209987	1	39	-2.0	-123.55	334.05	1.81	-121.74
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300013209988	1	35	-2.0	-116.51	338.20	4.27	-112.24
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300013209989	1	35	-2.0	-117.24	348.09	4.72	-112.52
COCC1=CN=C([N-]C(=O)N2CCC(OC)CC2C(=O)[O-])S1	REAL300013209990	1	39	-2.0	-134.06	334.65	4.43	-129.63
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)S1	REAL300013209991	1	39	-2.0	-119.89	334.02	1.81	-118.08
COCC1=CN=C([N-]C(=O)N2CCC(C)CC2C(=O)[O-])S1	REAL300013209992	1	38	-2.0	-135.46	316.35	5.79	-129.67
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)S1	REAL300013209993	1	38	-2.0	-120.29	352.42	4.77	-115.52
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300013209994	1	40	-2.0	-126.13	361.02	3.95	-122.18
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300013209995	1	41	-2.0	-130.25	368.51	5.40	-124.85
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)S1	REAL300013209996	1	41	-2.0	-129.33	363.92	5.36	-123.97
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)S1	REAL300013209997	1	40	-2.0	-125.25	365.35	1.23	-124.02
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)S1	REAL300013209998	1	39	-2.0	-122.90	371.01	4.01	-118.89
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013209999	1	35	-2.0	-120.11	342.22	4.67	-115.44
COCC1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013210000	1	33	-2.0	-127.00	302.23	5.46	-121.54
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013210001	1	38	-2.0	-127.65	319.07	4.17	-123.48
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300013210002	1	41	-2.0	-127.55	324.73	4.83	-122.72
COCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013210003	1	38	-2.0	-121.81	347.10	5.03	-116.78
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013210004	1	38	-2.0	-120.03	348.57	7.12	-112.91
COCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013210005	1	35	-2.0	-127.32	325.49	4.15	-123.17
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013210006	1	35	-2.0	-127.60	325.09	4.11	-123.49
COCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013210007	1	38	-2.0	-121.81	347.10	5.03	-116.78
CCC(C)C(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210008	1	37	-2.0	-121.41	319.49	3.03	-118.38
CCCC(C)(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210009	1	37	-2.0	-123.40	315.19	3.08	-120.32
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300013210010	1	37	-2.0	-118.13	325.76	5.39	-112.74
COCC1=CN=C([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300013210011	1	39	-2.0	-136.52	340.15	7.50	-129.02
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)S1	REAL300013210012	1	32	-2.0	-124.12	317.34	3.15	-120.97
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013210013	1	38	-2.0	-127.65	319.07	4.17	-123.48
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)S1	REAL300013210014	1	38	-2.0	-109.15	359.26	7.35	-101.80
COCC1=CN=C([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013210015	1	42	-2.0	-127.61	376.98	5.09	-122.52
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210016	1	37	-2.0	-122.11	320.80	2.97	-119.14
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)S1	REAL300013210017	1	46	-2.0	-124.34	407.59	5.72	-118.62
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300013210018	1	38	-2.0	-108.72	348.94	6.89	-101.83
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013210019	1	39	-2.0	-130.61	345.05	5.34	-125.27
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300013210020	1	35	-2.0	-127.10	336.52	4.23	-122.87
COCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013210021	1	38	-2.0	-129.73	333.81	4.83	-124.90
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210022	1	46	-2.0	-123.41	379.68	5.43	-117.98
COCC1=CN=C([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])S1	REAL300013210023	1	33	-2.0	-129.88	301.40	0.62	-129.26
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)S1	REAL300013210024	1	39	-2.0	-115.94	369.37	6.17	-109.77
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013210025	1	35	-2.0	-120.11	342.22	4.67	-115.44
COCC1=CN=C([N-]C(=O)N2CCOCC2C(=O)[O-])S1	REAL300013210026	1	33	-2.0	-128.11	293.32	3.03	-125.08
COCC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013210027	1	41	-2.0	-126.44	330.48	5.89	-120.55
COCC1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013210028	1	41	-2.0	-120.13	371.01	7.90	-112.23
COCC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013210029	1	38	-2.0	-120.32	335.41	6.01	-114.31
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(COC)S1	REAL300013210030	1	35	-2.0	-117.78	320.98	3.28	-114.50
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)S1	REAL300013210031	1	39	-2.0	-135.13	340.41	5.09	-130.04
COCC1=CN=C([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300013210032	1	33	-2.0	-127.66	302.14	0.35	-127.31
COCC1=CN=C([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013210033	1	42	-2.0	-127.61	381.88	4.95	-122.66
COCC1=CN=C([N-]C(=O)N2CCCCCC2C(=O)[O-])S1	REAL300013210034	1	38	-2.0	-132.97	317.17	6.07	-126.90
CCCCC(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210035	1	37	-2.0	-119.50	332.31	3.61	-115.89
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300013210036	1	36	-2.0	-126.48	336.51	1.29	-125.19
COCC1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013210037	1	41	-2.0	-120.13	371.01	7.90	-112.23
COCC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013210038	1	41	-2.0	-126.44	330.48	5.89	-120.55
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013210039	1	38	-2.0	-116.91	326.91	5.76	-111.15
CCCCCC(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210040	1	40	-2.0	-119.44	353.81	4.39	-115.05
COCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300013210041	1	37	-2.0	-121.81	318.73	3.12	-118.69
CCC1CCC(NC(=O)[N-]C2=NC=C(COC)S2)(C(=O)[O-])CC1	REAL300013210042	1	44	-2.0	-127.48	358.14	5.42	-122.06
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013210043	1	39	-2.0	-117.78	334.38	4.01	-113.77
COCC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)S1	REAL300013210044	1	38	-2.0	-128.85	317.12	4.94	-123.91
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(COC)S1)C1CC1	REAL300013210045	1	38	-2.0	-115.09	324.38	6.02	-109.07
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)S1	REAL300013210046	1	35	-2.0	-128.00	336.48	4.55	-123.45
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)S1	REAL300013210047	1	35	-2.0	-132.49	330.12	4.17	-128.32
COCC1=CN=C([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013210048	1	39	-2.0	-127.27	342.73	6.88	-120.39
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)S1	REAL300013210049	1	41	-2.0	-128.45	356.46	5.21	-123.24
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300013210050	1	39	-2.0	-122.94	361.22	3.53	-119.41
COCC1=CN=C([N-]C(=O)N(C(COC)C(=O)[O-])C2CC2)S1	REAL300013210051	1	39	-2.0	-112.59	336.96	5.24	-107.35
COCC1=CN=C([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)S1	REAL300013210052	1	38	-2.0	-121.12	323.21	6.18	-114.94
CCCN(C(=O)[N-]C1=NC=C(COC)S1)C(COC)C(=O)[O-]	REAL300013210053	1	41	-2.0	-116.54	349.82	4.51	-112.03
CCCN(C(=O)[N-]C1=NC=C(COC)S1)C(CC)C(=O)[O-]	REAL300013210054	1	40	-2.0	-112.65	337.37	5.73	-106.92
COCC1=CN=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300013210055	1	37	-2.0	-121.33	328.26	3.30	-118.03
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300013210056	1	36	-2.0	-122.48	310.50	1.67	-120.81
CCC(CC)(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210057	1	37	-2.0	-123.75	310.08	3.23	-120.52
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)S1	REAL300013210058	1	39	-2.0	-124.72	354.99	3.44	-121.28
CCC(COC)(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210059	1	38	-2.0	-127.48	328.61	2.52	-124.96
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)S1	REAL300013210060	1	38	-2.0	-121.40	335.54	0.15	-121.25
COCCC(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210061	1	35	-2.0	-117.16	322.99	1.12	-116.04
COCC1=CN=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S1	REAL300013210062	1	31	-2.0	-113.98	299.93	2.59	-111.39
CCC(NC(=O)[N-]C1=NC=C(COC)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013210063	1	41	-2.0	-124.65	367.15	6.19	-118.46
CCC(NC(=O)[N-]C1=NC=C(COC)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013210064	1	41	-2.0	-130.54	350.53	5.71	-124.83
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)S1	REAL300013210065	1	45	-2.0	-126.79	375.76	3.21	-123.58
COCC1=CN=C([N-]C(=O)NC(CC2(OC)CCC2)C(=O)[O-])S1	REAL300013210066	1	42	-2.0	-124.65	359.65	3.42	-121.23
COCC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013210067	1	42	-2.0	-123.40	364.17	5.25	-118.15
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013210068	1	39	-2.0	-117.78	334.38	4.01	-113.77
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)S1	REAL300013210069	1	41	-2.0	-118.42	343.33	6.39	-112.03
COCC1=CN=C([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)S1	REAL300013210070	1	41	-2.0	-127.82	332.85	4.56	-123.26
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013210071	1	39	-2.0	-129.28	355.24	3.37	-125.91
COCC1=CN=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S1	REAL300013210072	1	34	-2.0	-116.53	300.28	2.48	-114.05
COCC1=CN=C([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])S1	REAL300013210073	1	36	-2.0	-123.56	325.30	5.01	-118.55
COCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013210074	1	39	-2.0	-129.72	355.19	3.36	-126.36
COCC1=CN=C([N-]C(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])S1	REAL300013210075	1	41	-2.0	-129.63	356.91	6.04	-123.59
COCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])S1	REAL300013210076	1	42	-2.0	-124.43	377.20	4.38	-120.05
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)S1	REAL300013210077	1	44	-2.0	-129.90	346.99	5.05	-124.85
COCC1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])S1	REAL300013210078	1	41	-2.0	-121.42	367.86	5.68	-115.74
COCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300013210079	1	40	-2.0	-127.64	362.02	5.50	-122.14
COCC1=CN=C([N-]C(=O)N2CC(OC)CC2(C)C(=O)[O-])S1	REAL300013210080	1	39	-2.0	-123.45	340.01	3.58	-119.87
COCC1=CN=C([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])S1	REAL300013210081	1	42	-2.0	-122.42	356.72	3.51	-118.91
COCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300013210082	1	37	-2.0	-121.81	318.73	3.12	-118.69
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210083	1	32	-2.0	-116.60	317.79	3.18	-113.42
COCC1=CN=C([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)S1	REAL300013210084	1	36	-2.0	-132.42	310.05	5.34	-127.08
COCC1=CN=C([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])S1	REAL300013210085	1	33	-2.0	-126.64	302.17	0.35	-126.29
COCC1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013210086	1	41	-2.0	-121.22	357.54	5.23	-115.99
COCC1=CN=C([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300013210087	1	32	-2.0	-117.69	303.12	4.17	-113.52
COCC1=CN=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013210088	1	32	-2.0	-122.81	296.62	4.11	-118.70
COCC1=CN=C([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300013210089	1	42	-2.0	-120.96	361.02	2.81	-118.15
COCC1=CN=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300013210090	1	37	-2.0	-121.33	328.26	3.30	-118.03
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013210091	1	39	-2.0	-123.55	334.05	1.81	-121.74
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013210092	1	35	-2.0	-127.60	325.09	4.11	-123.49
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300013210093	1	38	-2.0	-122.82	364.44	5.07	-117.75
COCC1=CN=C([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])S1	REAL300013210094	1	34	-2.0	-119.40	334.54	2.17	-117.23
COCC1=CN=C([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])S1	REAL300013210095	1	43	-2.0	-120.00	371.38	4.89	-115.11
COCC1=CN=C([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])S1	REAL300013210096	1	41	-2.0	-125.25	377.31	5.54	-119.71
COCC1=CN=C([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])S1	REAL300013210097	1	39	-2.0	-126.28	343.54	2.97	-123.31
COCC1=CN=C([N-]C(=O)NC(CSC)C(=O)[O-])S1	REAL300013210098	1	32	-2.0	-119.39	313.01	2.42	-116.97
COCC1=CN=C([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013210099	1	38	-2.0	-116.93	354.10	5.14	-111.79
CCC(C)CC(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210100	1	40	-2.0	-120.89	346.49	3.95	-116.94
C=CCCCC(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210101	1	38	-2.0	-119.40	345.12	4.17	-115.23
COCC1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013210102	1	38	-2.0	-117.50	354.10	5.14	-112.36
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300013210103	1	41	-2.0	-136.29	366.44	6.23	-130.06
COCC1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013210104	1	33	-2.0	-127.00	302.23	5.46	-121.54
COCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013210105	1	38	-2.0	-129.73	333.81	4.83	-124.90
COCC1=CN=C([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])S1	REAL300013210106	1	36	-2.0	-135.46	312.86	5.68	-129.78
CCN(C(=O)[N-]C1=NC=C(COC)S1)C(C)(C)C(=O)[O-]	REAL300013210107	1	37	-2.0	-124.66	315.33	5.03	-119.63
CCCN(C(=O)[N-]C1=NC=C(COC)S1)C(C)C(=O)[O-]	REAL300013210108	1	37	-2.0	-111.59	320.32	4.87	-106.72
COCC1=CN=C([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013210109	1	40	-2.0	-120.55	347.43	5.59	-114.96
COCC1=CN=C([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])S1	REAL300013210110	1	36	-2.0	-128.35	314.26	5.04	-123.31
COCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013210111	1	35	-2.0	-127.32	325.49	4.15	-123.17
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300013210112	1	38	-2.0	-118.95	364.42	5.07	-113.88
CCC(C)CC(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210115	1	40	-2.0	-120.89	346.49	3.95	-116.94
COCC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])S1	REAL300013210116	1	41	-2.0	-116.40	352.80	6.96	-109.44
COCC1=CN=C([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])S1	REAL300013210117	1	38	-2.0	-121.17	342.23	3.91	-117.26
COCC1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013210118	1	37	-2.0	-118.43	343.11	3.24	-115.19
COCC1=CN=C([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])S1	REAL300013210119	1	41	-2.0	-114.37	354.33	4.35	-110.02
COCC1=CN=C([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])S1	REAL300013210120	1	40	-2.0	-113.86	342.40	5.85	-108.01
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)S1	REAL300013210121	1	34	-2.0	-130.86	322.10	2.50	-128.36
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(COC)S1	REAL300013210122	1	41	-2.0	-130.13	344.76	6.38	-123.75
COCC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013210123	1	41	-2.0	-116.41	353.35	7.09	-109.32
COCC1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013210126	1	37	-2.0	-118.43	343.11	3.24	-115.19
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)S1	REAL300013210127	1	34	-2.0	-123.38	320.38	2.35	-121.03
COCC1=CN=C([N-]C(=O)N2CCCC2(COC)C(=O)[O-])S1	REAL300013210128	1	39	-2.0	-128.34	336.17	4.79	-123.55
COCC1=CN=C([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])S1	REAL300013210129	0	39	-2.0	-132.04	344.09	8.01	-124.03
COCC1=CN=C([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])S1	REAL300013210130	0	42	-2.0	-121.97	354.82	7.46	-114.51
COCC1=CN=C([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])S1	REAL300013210131	1	40	-2.0	-119.63	365.84	4.02	-115.61
COCC1=CN=C([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300013210132	1	34	-2.0	-120.86	334.51	2.01	-118.85
COCC1=CN=C([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300013210133	1	35	-2.0	-113.39	354.02	3.82	-109.57
COCC1=CN=C([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])S1	REAL300013210134	1	36	-2.0	-122.74	318.66	3.38	-119.36
COCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013210135	1	35	-2.0	-127.65	325.07	4.11	-123.54
COCC1=CN=C([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])S1	REAL300013210136	1	38	-2.0	-127.85	339.51	3.41	-124.44
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013210137	1	38	-2.0	-116.91	326.91	5.76	-111.15
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210138	1	37	-2.0	-122.11	320.80	2.97	-119.14
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)S1	REAL300013210139	1	36	-2.0	-129.12	322.96	-0.06	-129.18
CCN(C(=O)[N-]C1=NC=C(COC)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013210140	1	44	-2.0	-127.13	373.40	8.20	-118.93
COCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)S1	REAL300013210141	1	44	-2.0	-126.01	370.01	3.18	-122.83
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)S1	REAL300013210142	1	38	-2.0	-127.80	324.60	3.67	-124.13
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)S1	REAL300013210143	1	41	-2.0	-129.99	335.09	4.44	-125.55
COCCC(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210144	1	35	-2.0	-117.16	322.99	1.12	-116.04
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300013210145	1	38	-2.0	-128.40	327.12	4.36	-124.04
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)S1	REAL300013210146	1	45	-2.0	-138.02	374.72	6.42	-131.60
COCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)S1	REAL300013210147	1	44	-2.0	-125.85	374.10	3.24	-122.61
COCC1=CN=C([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])S1	REAL300013210148	1	33	-2.0	-135.24	302.20	0.52	-134.72
COCC1=CN=C([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])S1	REAL300013210149	1	43	-2.0	-128.29	370.11	7.83	-120.46
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOC2)S1	REAL300013210150	1	36	-2.0	-118.02	322.27	1.14	-116.88
COCC1=CN=C([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])S1	REAL300013210151	1	36	-2.0	-132.44	312.30	5.13	-127.31
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300013210152	1	39	-2.0	-133.64	357.41	4.21	-129.43
COCC1=CN=C([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)S1	REAL300013210153	1	34	-2.0	-127.84	304.00	2.80	-125.04
COCC1=CN=C([N-]C(=O)N2CC(C)CCC2C(=O)[O-])S1	REAL300013210154	1	38	-2.0	-135.21	323.00	5.99	-129.22
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013210155	1	41	-2.0	-123.08	362.88	5.34	-117.74
COCC1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013210156	1	42	-2.0	-122.96	361.41	5.16	-117.80
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)S1	REAL300013210157	1	48	-2.0	-126.31	382.97	4.74	-121.57
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013210158	1	41	-2.0	-124.01	342.63	4.28	-119.73
COCC1=CN=C([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300013210159	1	42	-2.0	-123.93	361.80	3.72	-120.21
COCC1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)S1	REAL300013210160	1	42	-2.0	-126.68	337.63	5.89	-120.79
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)S1	REAL300013210161	1	42	-2.0	-124.35	339.61	2.96	-121.39
COCC1=CN=C([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])S1	REAL300013210162	1	41	-2.0	-123.61	385.93	6.34	-117.27
COCC1=CN=C([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])S1	REAL300013210163	1	42	-2.0	-127.64	360.27	7.37	-120.27
COCC1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013210164	1	42	-2.0	-122.96	361.41	5.16	-117.80
COCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013210165	1	38	-2.0	-119.21	354.40	5.09	-114.12
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(OC)C2)S1	REAL300013210166	1	36	-2.0	-123.74	322.27	1.53	-122.21
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)S1	REAL300013210167	1	32	-2.0	-120.66	299.27	2.69	-117.97
COCC1=CN=C([N-]C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)S1	REAL300013210168	1	36	-2.0	-122.95	322.42	1.51	-121.44
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)S1	REAL300013210169	1	35	-2.0	-120.01	330.80	3.49	-116.52
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(COC)S1	REAL300013210170	1	38	-2.0	-130.21	320.53	5.78	-124.43
COCC1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013210171	1	31	-2.0	-113.41	305.49	2.69	-110.72
COCC1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013210172	1	39	-2.0	-120.31	343.12	2.08	-118.23
COCC1=CN=C([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])S1	REAL300013210173	1	35	-2.0	-120.25	339.61	4.13	-116.12
COCC1=CN=C([N-]C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013210174	1	42	-2.0	-130.65	366.73	4.03	-126.62
COCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)S1	REAL300013210175	1	37	-2.0	-123.05	308.61	2.95	-120.10
COCC1=CN=C([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013210176	1	36	-2.0	-132.02	313.26	4.63	-127.39
COCC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013210177	1	41	-2.0	-116.41	353.35	7.09	-109.32
COCC1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013210178	1	44	-2.0	-123.36	369.89	5.20	-118.16
COCC1=CN=C([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013210179	1	41	-2.0	-121.93	370.12	5.81	-116.12
COCC1=CN=C([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013210180	1	41	-2.0	-121.62	370.96	5.78	-115.84
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300013210181	1	42	-2.0	-126.39	351.84	4.64	-121.75
COCC1=CN=C([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013210182	1	44	-2.0	-122.89	369.91	5.21	-117.68
COCC1=CN=C([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013210183	1	44	-2.0	-123.15	369.07	5.22	-117.93
COCC1=CN=C([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])S1	REAL300013210184	1	42	-2.0	-127.15	352.46	6.03	-121.12
COCC1=CN=C([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])S1	REAL300013210185	1	42	-2.0	-132.34	347.89	5.82	-126.52
COCC1=CN=C([N-]C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])S1	REAL300013210186	1	42	-2.0	-121.94	377.43	4.32	-117.62
C=CCSCC(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210187	1	36	-2.0	-120.23	347.53	3.79	-116.44
COCC1=CN=C([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])S1	REAL300013210188	1	39	-2.0	-116.59	367.91	5.44	-111.15
COCC1=CN=C([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])S1	REAL300013210189	1	42	-2.0	-133.56	387.38	5.06	-128.50
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(COC)S1	REAL300013210190	1	37	-2.0	-111.74	315.87	5.00	-106.74
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(OC)CCC2)S1	REAL300013210191	1	39	-2.0	-121.37	337.14	1.67	-119.70
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)S1	REAL300013210192	1	41	-2.0	-122.72	351.48	5.00	-117.72
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)S1	REAL300013210193	1	42	-2.0	-131.76	357.03	6.09	-125.67
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)S1	REAL300013210194	1	35	-2.0	-122.43	320.79	3.38	-119.05
COCC1=CN=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013210195	0	35	-2.0	-127.94	322.81	4.46	-123.48
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013210195	1	34	-3.0	-200.79	318.19	3.14	-197.65
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300013210196	1	47	-2.0	-127.30	401.65	6.48	-120.82
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300013210197	1	44	-2.0	-127.25	385.94	6.00	-121.25
COCC1=CN=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013210198	1	32	-2.0	-122.81	296.62	4.11	-118.70
COCC1=CN=C([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])S1	REAL300013210199	1	34	-2.0	-124.29	305.99	4.85	-119.44
COCC1=CN=C([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])S1	REAL300013210200	1	38	-2.0	-131.33	324.12	4.79	-126.54
CCOC1=CC=C(C(NC(=O)[N-]C2=NC=C(COC)S2)C(=O)[O-])C=C1	REAL300013210201	1	42	-2.0	-124.59	377.06	4.29	-120.30
COCC1=CN=C([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])S1	REAL300013210202	1	42	-2.0	-136.83	346.39	7.03	-129.80
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300013210203	1	42	-2.0	-124.58	367.71	5.95	-118.63
COCC1=CN=C([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])S1	REAL300013210204	1	42	-2.0	-128.75	368.15	5.07	-123.68
COCC1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])S1	REAL300013210205	1	38	-2.0	-120.62	361.70	5.06	-115.56
COCC1=CN=C([N-]C(=O)NC(CCC(C)C)C(=O)[O-])S1	REAL300013210206	1	40	-2.0	-119.92	349.88	4.12	-115.80
COCC1=CN=C([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])S1	REAL300013210207	1	39	-2.0	-129.10	339.80	5.55	-123.55
COCC1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013210208	1	39	-2.0	-120.31	343.12	2.08	-118.23
COCC1=CN=C([N-]C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])S1	REAL300013210209	1	36	-2.0	-124.91	334.41	5.01	-119.90
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)S1	REAL300013210210	1	39	-2.0	-129.09	327.40	4.54	-124.55
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)S1	REAL300013210211	1	36	-2.0	-127.75	313.19	3.67	-124.08
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300013210212	1	39	-2.0	-128.41	333.30	4.27	-124.14
COCC1=CN=C([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300013210213	1	45	-2.0	-128.56	366.65	6.51	-122.05
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCC2)S1	REAL300013210214	1	38	-2.0	-123.02	325.72	3.58	-119.44
COCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S1	REAL300013210215	1	35	-2.0	-122.69	319.56	1.24	-121.45
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013210216	1	38	-2.0	-120.03	348.57	7.12	-112.91
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300013210217	1	45	-2.0	-127.95	399.91	7.47	-120.48
COCC1=CN=C([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])S1	REAL300013210218	1	38	-2.0	-126.24	330.40	4.86	-121.38
COCC1=CN=C([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])S1	REAL300013210219	1	39	-2.0	-126.41	351.29	7.37	-119.04
COCC1=CN=C([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])S1	REAL300013210220	1	35	-2.0	-125.31	313.49	5.61	-119.70
COCC1=CN=C([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])S1	REAL300013210221	1	32	-2.0	-125.36	301.83	4.15	-121.21
COCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013210222	1	38	-2.0	-119.21	354.40	5.09	-114.12
COCC1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013210223	1	35	-2.0	-119.44	337.97	3.95	-115.49
COCC1=CN=C([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])S1	REAL300013210224	1	35	-2.0	-120.83	319.74	4.78	-116.05
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)S1	REAL300013210225	1	39	-2.0	-126.69	352.50	4.71	-121.98
COCC1=CN=C([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])S1	REAL300013210226	1	43	-2.0	-127.86	377.41	6.40	-121.46
COCC1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013210227	1	35	-2.0	-119.44	337.97	3.95	-115.49
COCC1=CN=C([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013210228	1	39	-2.0	-133.03	328.45	5.41	-127.62
COCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013210229	1	36	-2.0	-124.28	336.73	1.22	-123.06
COCCCC(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210230	1	38	-2.0	-120.33	344.73	1.83	-118.50
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(COC)S1	REAL300013210231	1	37	-2.0	-111.70	324.65	5.21	-106.49
CCOCC(NC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013210232	1	35	-2.0	-122.31	323.27	1.21	-121.10
COCC1=CN=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S1	REAL300013210233	1	40	-2.0	-121.22	340.38	4.40	-116.82
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)S1	REAL300013210234	1	39	-2.0	-126.02	338.29	2.16	-123.86
COCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013210235	1	39	-2.0	-130.61	345.05	5.34	-125.27
COCC1=CN=C([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])S1	REAL300013210236	1	36	-2.0	-130.31	313.24	3.60	-126.71
COCC1=CN=C([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])S1	REAL300013210237	1	38	-2.0	-112.38	332.84	5.19	-107.19
COCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)S1	REAL300013210238	1	49	-2.0	-131.55	382.10	6.11	-125.44
COCC1=CN=C([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])S1	REAL300013210239	1	41	-2.0	-124.49	372.44	5.40	-119.09
COCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)S1	REAL300013210240	1	35	-2.0	-116.95	330.26	5.25	-111.70
COCC1=CN=C([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])S1	REAL300013210241	1	46	-2.0	-135.83	364.69	5.94	-129.89
COCC1=CN=C([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300013210242	1	37	-2.0	-117.07	359.72	3.63	-113.44
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(COC)S2)C1	REAL300013210243	1	39	-2.0	-130.59	345.28	3.96	-126.63
C=CCN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013210244	1	41	-2.0	-106.64	368.76	9.86	-96.78
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210245	1	34	-2.0	-117.49	343.36	6.62	-110.87
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210246	1	40	-2.0	-121.82	371.94	8.27	-113.55
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210247	1	40	-2.0	-117.79	350.08	6.41	-111.38
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210248	1	37	-2.0	-117.99	341.01	8.93	-109.06
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])C=C1	REAL300013210249	1	34	-2.0	-122.36	327.10	6.03	-116.33
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210250	1	27	-2.0	-108.99	284.85	3.94	-105.05
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC2=CC=CC=C2C=C1	REAL300013210251	1	37	-2.0	-125.15	351.86	7.55	-117.60
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCSCC1	REAL300013210252	1	32	-2.0	-115.63	296.96	5.01	-110.62
COCC(C)(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210253	1	31	-2.0	-120.05	292.13	2.77	-117.28
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210254	1	34	-2.0	-109.20	313.93	4.83	-104.37
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210255	1	33	-2.0	-114.99	305.70	6.37	-108.62
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210256	1	40	-2.0	-118.04	355.90	9.00	-109.04
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210257	1	30	-2.0	-109.89	309.43	6.45	-103.44
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCOC1	REAL300013210258	1	29	-2.0	-116.32	275.39	1.63	-114.69
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCCCC1	REAL300013210259	1	37	-2.0	-117.40	325.58	5.63	-111.77
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=C(O)C=C1	REAL300013210260	1	32	-2.0	-119.25	316.94	2.41	-116.84
CN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013210261	1	38	-2.0	-111.16	342.02	6.29	-104.87
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210262	1	38	-2.0	-132.18	346.53	9.41	-122.77
C=CCOCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210263	1	32	-2.0	-117.89	316.36	3.00	-114.89
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210264	1	32	-2.0	-132.36	293.15	3.21	-129.15
C=CC(C)C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210265	1	31	-2.0	-114.24	301.28	4.34	-109.90
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCOCC1	REAL300013210266	1	35	-2.0	-116.23	319.77	3.26	-112.97
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=C(F)C(F)=C1	REAL300013210267	1	31	-2.0	-112.21	317.99	5.45	-106.76
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=C(Cl)C(F)=C1	REAL300013210268	1	31	-2.0	-112.90	328.48	5.85	-107.05
COC1CCN(C(=O)[N-]C2=NC3=C(SC=C3)S2)C(C(=O)[O-])C1	REAL300013210269	1	35	-2.0	-127.26	314.84	5.55	-121.71
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCCOC1	REAL300013210270	1	35	-2.0	-115.13	314.22	3.02	-112.11
CC1CCN(C(=O)[N-]C2=NC3=C(SC=C3)S2)C(C(=O)[O-])C1	REAL300013210271	1	34	-2.0	-128.41	303.20	7.23	-121.18
CC1=CC(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])=CC=C1F	REAL300013210272	1	34	-2.0	-115.34	332.62	5.97	-109.37
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=C2OCCC2=C1	REAL300013210273	1	36	-2.0	-120.65	341.58	5.20	-115.45
CC1=CC(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])=CC(C)=C1	REAL300013210274	1	37	-2.0	-124.34	348.70	6.61	-117.73
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])C=C1C	REAL300013210275	1	37	-2.0	-124.13	344.10	6.56	-117.57
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])C=C1O	REAL300013210276	1	36	-2.0	-119.76	345.56	2.44	-117.32
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])C=C1Cl	REAL300013210277	1	35	-2.0	-118.52	351.41	5.14	-113.38
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210278	1	31	-2.0	-127.96	282.43	6.55	-121.41
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=C(Cl)C=C1	REAL300013210279	1	31	-2.0	-115.28	322.42	5.88	-109.40
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210280	1	29	-2.0	-120.35	282.43	6.58	-113.77
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCCCC1	REAL300013210281	1	34	-2.0	-121.92	299.26	5.33	-116.59
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCCC1	REAL300013210282	1	31	-2.0	-121.34	284.75	4.22	-117.12
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCCCCC1	REAL300013210283	1	37	-2.0	-122.59	304.93	5.98	-116.61
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210284	1	34	-2.0	-116.58	328.12	6.22	-110.36
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210285	1	34	-2.0	-117.78	328.79	8.31	-109.47
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=CC=C1	REAL300013210286	1	31	-2.0	-122.16	305.93	5.28	-116.88
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=CC=C1	REAL300013210287	1	31	-2.0	-122.19	305.93	5.27	-116.92
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210288	1	34	-2.0	-116.58	328.12	6.22	-110.36
CCC(C)C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210289	1	33	-2.0	-115.60	301.95	4.38	-111.22
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210290	1	31	-2.0	-127.96	282.43	6.55	-121.41
CCCC(C)(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210291	1	33	-2.0	-117.95	295.38	4.25	-113.70
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210292	1	33	-2.0	-114.99	305.70	6.37	-108.62
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210293	1	35	-2.0	-129.50	320.34	8.63	-120.87
CC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)(C(=O)[O-])C1CC1	REAL300013210294	1	31	-2.0	-119.89	286.61	4.31	-115.58
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=CS1	REAL300013210295	1	28	-2.0	-119.34	297.30	4.44	-114.90
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCCCC1	REAL300013210296	1	34	-2.0	-121.92	299.26	5.33	-116.59
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210297	1	34	-2.0	-108.48	339.48	8.54	-99.94
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210298	1	38	-2.0	-122.03	356.40	6.33	-115.70
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210299	1	33	-2.0	-116.62	300.26	4.22	-112.40
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCCC1	REAL300013210300	1	31	-2.0	-121.34	284.75	4.22	-117.12
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210301	1	34	-2.0	-108.27	329.16	8.09	-100.18
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CC2=CC=CC=C2C1	REAL300013210302	1	35	-2.0	-125.34	325.46	6.48	-118.86
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC(F)=CC=C1F	REAL300013210303	1	31	-2.0	-121.02	316.77	5.45	-115.57
CC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013210304	1	34	-2.0	-124.08	314.00	5.99	-118.09
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210305	1	42	-2.0	-118.72	359.88	6.58	-112.14
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210306	1	29	-2.0	-123.98	281.58	1.79	-122.19
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210307	1	35	-2.0	-119.42	350.86	6.17	-113.25
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=C(Cl)C=C1	REAL300013210308	1	31	-2.0	-115.28	322.42	5.88	-109.40
O=C([O-])C1COCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210309	1	29	-2.0	-121.73	273.50	4.17	-117.56
CN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C1(C(=O)[O-])CCCCC1	REAL300013210310	1	37	-2.0	-121.50	310.67	7.08	-114.42
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210311	1	37	-2.0	-117.69	351.20	9.10	-108.59
CN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013210312	1	34	-2.0	-115.90	315.46	7.26	-108.64
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210313	1	31	-2.0	-116.14	301.17	4.49	-111.65
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCC2=CC=CC=C21	REAL300013210314	1	35	-2.0	-129.83	320.62	6.28	-123.55
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210315	1	31	-2.0	-127.94	282.32	6.63	-121.31
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210316	1	29	-2.0	-121.62	281.60	1.79	-119.83
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210317	1	31	-2.0	-122.61	287.41	5.74	-116.87
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210318	1	38	-2.0	-122.33	362.07	6.17	-116.16
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210319	1	34	-2.0	-127.29	297.20	7.36	-119.93
CCCCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210320	1	33	-2.0	-114.85	312.74	4.76	-110.09
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=CC(O)=C1	REAL300013210321	1	32	-2.0	-121.95	316.30	2.46	-119.49
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210322	1	37	-2.0	-117.69	351.20	9.10	-108.59
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210323	1	31	-2.0	-122.50	287.47	5.73	-116.77
CN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C1(C(=O)[O-])CCCCC1	REAL300013210324	1	37	-2.0	-121.50	310.67	7.08	-114.42
O=C([O-])CN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCCC1	REAL300013210325	1	34	-2.0	-116.14	306.13	6.88	-109.26
COCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210326	1	28	-2.0	-117.15	281.12	1.44	-115.71
CCCCCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210327	1	36	-2.0	-114.87	334.24	5.54	-109.33
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210328	1	33	-2.0	-117.08	300.54	4.32	-112.76
CCC1CCC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)(C(=O)[O-])CC1	REAL300013210329	1	40	-2.0	-122.28	338.32	6.58	-115.70
O=C([O-])CN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCOCC1	REAL300013210330	1	35	-2.0	-116.05	314.57	5.20	-110.85
CN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C1(C(=O)[O-])CCCC1	REAL300013210331	1	34	-2.0	-123.30	297.32	6.13	-117.17
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(SC=C2)S1)C1CC1	REAL300013210332	1	31	-2.0	-107.76	280.83	5.53	-102.23
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(SC=C2)S1)C1CC1	REAL300013210333	1	34	-2.0	-110.41	304.32	7.05	-103.36
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=CC=C1Cl	REAL300013210334	1	31	-2.0	-122.36	316.67	5.76	-116.60
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=CC=C1F	REAL300013210335	1	31	-2.0	-125.99	310.08	5.44	-120.55
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210336	1	35	-2.0	-121.45	322.91	8.09	-113.36
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])=C1C	REAL300013210337	1	37	-2.0	-123.43	335.91	6.30	-117.13
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])C=C1F	REAL300013210338	1	35	-2.0	-118.48	341.01	4.70	-113.78
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(SC=C2)S1)C1CC1	REAL300013210339	1	35	-2.0	-107.93	317.15	6.44	-101.49
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCC1	REAL300013210340	1	34	-2.0	-107.93	303.73	6.39	-101.54
CCCN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C(COC)C(=O)[O-]	REAL300013210341	1	37	-2.0	-120.66	334.06	6.82	-113.84
CCCN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C(CC)C(=O)[O-]	REAL300013210342	1	36	-2.0	-111.16	318.79	7.17	-103.99
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210343	1	33	-2.0	-115.90	308.45	4.51	-111.39
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCOCC1	REAL300013210344	1	32	-2.0	-117.71	290.69	2.84	-114.87
C=CCCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210345	1	31	-2.0	-114.61	303.22	4.55	-110.06
CCC(CC)(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210346	1	33	-2.0	-119.05	290.56	4.38	-114.67
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])C=C1	REAL300013210347	1	35	-2.0	-119.71	335.18	4.65	-115.06
CCC(COC)(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210348	1	34	-2.0	-121.87	308.80	3.68	-118.19
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCS(=O)(=O)CC1	REAL300013210349	1	34	-2.0	-116.77	315.80	1.32	-115.45
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210350	1	31	-2.0	-115.54	301.36	4.76	-110.78
COCCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210351	1	31	-2.0	-112.77	302.59	2.29	-110.48
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210352	1	27	-2.0	-109.29	281.26	3.51	-105.78
CCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013210353	1	37	-2.0	-119.17	347.41	7.38	-111.79
CCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013210354	1	37	-2.0	-125.44	330.62	6.83	-118.61
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])C1	REAL300013210355	1	41	-2.0	-120.32	360.86	4.66	-115.66
O=C([O-])C(CCF)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210356	1	27	-2.0	-109.68	275.51	3.37	-106.31
COC1(CC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])CCC1	REAL300013210357	1	38	-2.0	-119.43	339.71	4.54	-114.89
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC3=C(SC=C3)S2)=C1	REAL300013210358	1	38	-2.0	-120.58	348.37	6.77	-113.81
O=C([O-])CN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCOCC1	REAL300013210359	1	35	-2.0	-116.05	314.57	5.20	-110.85
O=C([O-])CN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCCCC1	REAL300013210360	1	37	-2.0	-117.43	323.54	7.59	-109.84
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(SC=C3)S2)(C(=O)[O-])CC1	REAL300013210361	1	37	-2.0	-122.59	313.06	5.71	-116.88
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])=C1	REAL300013210362	1	35	-2.0	-123.69	334.78	4.61	-119.08
CC(CCF)(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210363	1	30	-2.0	-112.20	280.48	3.63	-108.57
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC3=C(SC=C3)S1)OC=C2	REAL300013210364	1	32	-2.0	-117.88	305.50	6.22	-111.66
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])=C1	REAL300013210365	1	35	-2.0	-123.78	335.41	4.57	-119.21
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(SC=C3)S2)C1	REAL300013210366	1	37	-2.0	-111.13	337.96	6.47	-104.66
COC1=CC=CC(CC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])=C1	REAL300013210367	1	38	-2.0	-118.50	357.68	5.52	-112.98
CC1(C)CCCC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)(C(=O)[O-])C1	REAL300013210368	1	40	-2.0	-123.86	327.18	6.20	-117.66
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210369	1	29	-2.0	-126.52	276.67	5.72	-120.80
CC(CC1=CC=C(Cl)C=C1)(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210370	1	37	-2.0	-116.28	348.04	6.84	-109.44
CC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013210371	1	36	-2.0	-123.47	342.22	6.65	-116.82
COC1CN(C(=O)[N-]C2=NC3=C(SC=C3)S2)C(C)(C(=O)[O-])C1	REAL300013210372	1	35	-2.0	-121.96	320.67	4.70	-117.26
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210373	1	38	-2.0	-117.20	336.08	4.75	-112.45
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210374	1	33	-2.0	-117.08	300.54	4.32	-112.76
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210375	1	28	-2.0	-112.10	299.01	4.26	-107.84
C=C(C)CC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210376	1	31	-2.0	-114.19	302.77	4.43	-109.76
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210377	1	32	-2.0	-126.35	290.24	6.47	-119.88
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210378	1	29	-2.0	-121.64	282.36	1.54	-120.10
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210379	1	37	-2.0	-116.15	337.72	6.39	-109.76
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210380	1	28	-2.0	-112.41	283.31	5.33	-107.08
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210381	1	28	-2.0	-117.40	276.81	5.28	-112.12
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(SC=C3)S2)C1	REAL300013210382	1	29	-2.0	-123.51	283.59	5.63	-117.88
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210383	1	38	-2.0	-114.54	337.00	4.69	-109.85
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210384	1	33	-2.0	-115.90	308.45	4.51	-111.39
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCOCC1	REAL300013210385	1	35	-2.0	-116.23	319.77	3.26	-112.97
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=CC=C1	REAL300013210386	1	31	-2.0	-122.19	305.93	5.27	-116.92
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210387	1	31	-2.0	-115.54	301.36	4.76	-110.78
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210388	1	30	-2.0	-114.62	314.73	3.38	-111.24
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210389	1	39	-2.0	-115.25	351.81	6.05	-109.20
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210390	1	37	-2.0	-119.70	357.61	6.69	-113.01
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210391	1	35	-2.0	-121.73	325.94	3.58	-118.15
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210392	1	28	-2.0	-113.99	276.50	0.32	-113.67
CSCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210393	1	28	-2.0	-114.68	292.54	3.66	-111.02
COC[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210394	1	28	-2.0	-117.19	281.12	1.44	-115.75
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210395	1	34	-2.0	-112.58	334.59	6.29	-106.29
CCC(C)CC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210396	1	36	-2.0	-116.88	326.68	5.19	-111.69
C=CCCCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210397	1	34	-2.0	-114.59	324.72	5.33	-109.26
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210398	1	34	-2.0	-112.57	334.53	6.29	-106.28
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=CC2=CC=CC=C21	REAL300013210399	1	37	-2.0	-117.50	347.03	7.68	-109.82
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210400	1	29	-2.0	-120.35	282.43	6.58	-113.77
CC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013210401	1	34	-2.0	-124.08	314.00	5.99	-118.09
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210402	1	32	-2.0	-128.85	293.15	6.87	-121.98
CCN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C(C)(C)C(=O)[O-]	REAL300013210403	1	33	-2.0	-120.13	295.52	6.18	-113.95
CCCN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C(C)C(=O)[O-]	REAL300013210404	1	33	-2.0	-110.51	302.70	6.25	-104.26
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210405	1	36	-2.0	-115.66	327.63	6.79	-108.87
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210406	1	32	-2.0	-128.42	295.09	6.14	-122.28
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=CC=C1	REAL300013210407	1	31	-2.0	-122.16	305.93	5.28	-116.88
O=C([O-])[C@H](CC1=CNC=N1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210408	1	31	-2.0	-125.84	308.57	3.67	-122.17
CCC(C)CC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210410	1	36	-2.0	-116.88	326.68	5.19	-111.69
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210411	1	37	-2.0	-121.51	340.99	9.43	-112.08
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210412	1	34	-2.0	-115.70	321.62	5.13	-110.57
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210413	1	33	-2.0	-113.78	323.06	4.51	-109.27
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210414	1	37	-2.0	-109.91	334.20	5.59	-104.32
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210415	1	36	-2.0	-110.09	321.10	6.93	-103.16
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=CC=N1	REAL300013210416	1	30	-2.0	-125.07	302.05	3.77	-121.30
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210417	1	37	-2.0	-125.34	324.89	7.65	-117.69
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210418	1	37	-2.0	-113.78	333.99	8.34	-105.44
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210421	1	33	-2.0	-113.78	323.06	4.51	-109.27
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=CN=C1	REAL300013210422	1	30	-2.0	-118.85	300.81	3.49	-115.36
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210423	1	35	-2.0	-124.32	316.76	5.95	-118.37
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210424	0	35	-2.0	-126.22	324.28	9.17	-117.05
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC3=C(SC=C3)S2)[C@H]1C(=O)[O-]	REAL300013210425	0	38	-2.0	-120.03	335.01	8.65	-111.38
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210426	1	36	-2.0	-114.48	346.03	5.23	-109.25
C=CCCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210427	1	31	-2.0	-114.61	303.22	4.55	-110.06
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210428	1	30	-2.0	-115.90	314.70	3.21	-112.69
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210429	1	31	-2.0	-108.52	333.38	5.05	-103.47
CC#CCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210430	1	29	-2.0	-115.71	297.01	4.59	-111.12
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(SC=C3)S2)CC1=O	REAL300013210431	1	32	-2.0	-117.46	298.96	4.59	-112.87
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210432	1	31	-2.0	-122.59	287.44	5.73	-116.86
O=C([O-])[C@@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=CC=C1	REAL300013210433	1	31	-2.0	-122.04	305.27	5.30	-116.74
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210434	1	34	-2.0	-120.28	315.35	4.53	-115.75
O=C([O-])CN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCCC1	REAL300013210435	1	34	-2.0	-116.14	306.13	6.88	-109.26
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210436	1	33	-2.0	-116.62	300.26	4.22	-112.40
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CC(CO)C1	REAL300013210437	1	32	-2.0	-126.20	301.43	0.99	-125.21
CCN(C(=O)[N-]C1=NC2=C(SC=C2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013210438	1	40	-2.0	-122.21	353.75	9.36	-112.85
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210439	1	40	-2.0	-120.70	350.19	4.39	-116.31
CC1CCC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)(C(=O)[O-])C1	REAL300013210440	1	34	-2.0	-121.91	304.93	4.86	-117.05
CC1(C)CCCC1(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210441	1	37	-2.0	-124.93	313.71	5.47	-119.46
COCCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210442	1	31	-2.0	-112.77	302.59	2.29	-110.48
CC1(C)CC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)(C(=O)[O-])C1	REAL300013210443	1	34	-2.0	-122.86	307.31	5.53	-117.33
CC1CCC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)(C(=O)[O-])C2=CC=CC=C21	REAL300013210444	1	41	-2.0	-131.14	354.77	7.56	-123.58
CC1(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])CC1	REAL300013210445	1	31	-2.0	-118.50	293.35	4.57	-113.93
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210446	1	40	-2.0	-121.00	353.54	4.48	-116.52
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210447	1	29	-2.0	-130.02	282.40	1.73	-128.29
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210448	1	39	-2.0	-125.81	350.19	9.22	-116.59
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCOC1	REAL300013210449	1	32	-2.0	-113.31	296.92	2.21	-111.10
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210450	1	32	-2.0	-126.37	292.07	6.30	-120.07
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CNC2=CC=CC=C12	REAL300013210451	1	35	-2.0	-127.82	337.43	5.36	-122.46
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC3=C(SC=C3)S1)C2	REAL300013210452	1	30	-2.0	-121.83	283.70	4.02	-117.81
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(SC=C3)S2)C1	REAL300013210453	1	34	-2.0	-128.90	298.62	7.42	-121.48
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210454	1	37	-2.0	-117.45	343.33	6.56	-110.89
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210455	1	38	-2.0	-117.54	342.43	6.34	-111.20
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCC1	REAL300013210456	1	31	-2.0	-117.36	290.40	4.10	-113.26
CC1(C)CC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)(C(=O)[O-])CC(C)(C)O1	REAL300013210457	1	44	-2.0	-120.63	363.15	5.90	-114.73
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCCCC1	REAL300013210458	1	37	-2.0	-117.40	325.58	5.63	-111.77
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCC1	REAL300013210459	1	31	-2.0	-117.36	290.40	4.10	-113.26
CC1CCN(C(=O)[N-]C2=NC3=C(SC=C3)S2)C1C(=O)[O-]	REAL300013210460	1	31	-2.0	-123.51	284.10	5.72	-117.79
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210461	1	38	-2.0	-119.08	341.98	4.94	-114.14
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210462	1	38	-2.0	-127.91	318.14	7.10	-120.81
CC1(C)CC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)(C(=O)[O-])CCO1	REAL300013210463	1	38	-2.0	-118.74	319.81	4.13	-114.61
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC3=C(SC=C3)S1)C2C(=O)[O-]	REAL300013210464	1	38	-2.0	-122.25	340.48	8.58	-113.67
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210465	1	38	-2.0	-117.54	342.43	6.34	-111.20
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210466	1	34	-2.0	-114.18	334.59	6.28	-107.90
COC1CC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)(C(=O)[O-])C1	REAL300013210467	1	32	-2.0	-118.07	302.46	2.68	-115.39
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CC(F)(F)C1	REAL300013210468	1	28	-2.0	-115.10	279.30	3.84	-111.26
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(SC=C3)S2)(C(=O)[O-])C1	REAL300013210469	1	32	-2.0	-123.69	302.83	3.07	-120.62
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1(C(F)(F)F)CC1	REAL300013210470	1	31	-2.0	-113.60	309.86	4.97	-108.63
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210471	1	34	-2.0	-124.58	300.83	6.97	-117.61
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210472	1	27	-2.0	-108.99	284.85	3.94	-105.05
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210473	1	35	-2.0	-115.58	323.55	3.21	-112.37
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210474	1	31	-2.0	-114.94	320.13	5.28	-109.66
COCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013210475	1	38	-2.0	-125.21	346.70	5.16	-120.05
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210476	1	33	-2.0	-118.34	288.81	4.11	-114.23
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210477	1	29	-2.0	-127.27	277.66	6.34	-120.93
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210478	1	32	-2.0	-126.60	293.78	6.00	-120.60
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210479	1	37	-2.0	-113.78	333.99	8.34	-105.44
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210480	1	40	-2.0	-117.79	350.08	6.41	-111.38
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210481	1	37	-2.0	-116.79	351.15	7.00	-109.79
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210482	1	37	-2.0	-116.79	350.91	7.06	-109.73
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1CC2CCC1C2	REAL300013210483	1	38	-2.0	-120.04	331.54	6.06	-113.98
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210484	1	40	-2.0	-117.76	350.10	6.41	-111.35
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210485	1	40	-2.0	-117.64	349.25	6.43	-111.21
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210486	1	38	-2.0	-127.38	333.38	7.20	-120.18
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210487	1	38	-2.0	-127.07	329.18	6.95	-120.12
COC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])C=C1	REAL300013210488	1	38	-2.0	-116.26	357.43	5.58	-110.68
C=CCSCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210489	1	32	-2.0	-115.30	327.50	5.08	-110.22
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])C=C1	REAL300013210490	1	35	-2.0	-111.77	349.00	6.61	-105.16
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210491	1	33	-2.0	-108.63	297.51	6.33	-102.30
COC1(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])CCC1	REAL300013210492	1	35	-2.0	-115.93	317.35	2.88	-113.05
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCC(C(F)F)CC1	REAL300013210493	1	37	-2.0	-120.93	330.87	6.12	-114.81
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCC2=CC=CC=C2C1	REAL300013210494	1	38	-2.0	-125.44	337.22	7.24	-118.20
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CC(C(F)F)C1	REAL300013210495	1	31	-2.0	-123.03	302.88	4.66	-118.37
O=C([O-])C1CC(NC(=O)NC2=NC3=C(SC=C3)S2)(C(=O)[O-])C1	REAL300013210496	0	31	-2.0	-117.83	303.00	5.60	-112.23
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(SC=C3)S2)(C(=O)[O-])C1	REAL300013210496	1	30	-3.0	-198.25	299.75	4.41	-193.84
CC(C)(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])C=C1	REAL300013210497	1	43	-2.0	-122.07	381.49	7.65	-114.42
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])C=C1	REAL300013210498	1	40	-2.0	-122.09	366.15	7.21	-114.88
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210499	1	28	-2.0	-117.40	276.81	5.28	-112.12
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210500	1	30	-2.0	-123.27	285.62	6.12	-117.15
CC1(C)CCN(C(=O)[N-]C2=NC3=C(SC=C3)S2)C1C(=O)[O-]	REAL300013210501	1	34	-2.0	-125.24	302.68	6.13	-119.11
CCOC1=CC=C(C(NC(=O)[N-]C2=NC3=C(SC=C3)S2)C(=O)[O-])C=C1	REAL300013210502	1	38	-2.0	-119.61	357.01	5.57	-114.04
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210503	1	38	-2.0	-131.03	327.98	8.26	-122.77
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCC2=CC=CC=C21	REAL300013210504	1	38	-2.0	-118.23	340.63	6.82	-111.41
CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210505	1	38	-2.0	-123.25	348.34	6.23	-117.02
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210506	1	34	-2.0	-115.15	342.14	6.20	-108.95
CC(C)CCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210507	1	36	-2.0	-115.25	330.31	5.27	-109.98
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210508	1	35	-2.0	-128.32	319.97	6.76	-121.56
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210509	1	35	-2.0	-115.58	323.55	3.21	-112.37
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(SC=C3)S2)C1	REAL300013210510	1	32	-2.0	-118.78	313.44	6.33	-112.45
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210511	1	28	-2.0	-119.28	279.71	-0.03	-119.31
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCCC2CC21	REAL300013210512	1	35	-2.0	-124.67	305.10	5.96	-118.71
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CCC2CC21	REAL300013210513	1	32	-2.0	-123.43	292.24	5.06	-118.37
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CC2(CCC2)C1	REAL300013210514	1	35	-2.0	-123.89	319.55	5.68	-118.21
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC3=C(SC=C3)S1)CCCCC2	REAL300013210515	1	41	-2.0	-128.33	346.85	7.70	-120.63
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCCC1	REAL300013210516	1	34	-2.0	-118.13	305.91	4.79	-113.34
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210517	1	31	-2.0	-117.56	299.75	2.45	-115.11
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210518	1	31	-2.0	-123.52	292.74	4.83	-118.69
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210519	1	34	-2.0	-117.78	328.79	8.31	-109.47
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(SC=C3)S2)C1	REAL300013210520	1	34	-2.0	-126.35	310.62	6.05	-120.30
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210521	1	35	-2.0	-119.98	331.52	8.52	-111.46
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210522	1	31	-2.0	-118.80	293.75	6.66	-112.14
O=C([O-])C1N(C(=O)[N-]C2=NC3=C(SC=C3)S2)CCC1(F)F	REAL300013210523	1	28	-2.0	-119.48	282.02	5.32	-114.16
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210524	1	34	-2.0	-114.18	334.59	6.28	-107.90
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210525	1	31	-2.0	-114.24	318.17	5.16	-109.08
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210526	1	31	-2.0	-112.15	299.53	5.85	-106.30
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CC2(CC(F)(F)C2)C1	REAL300013210527	1	35	-2.0	-121.23	332.69	5.86	-115.37
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210528	1	39	-2.0	-122.30	357.60	7.61	-114.69
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210529	1	31	-2.0	-114.24	318.17	5.16	-109.08
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210530	1	35	-2.0	-126.79	309.47	6.39	-120.40
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=CC=C(O)C=C1	REAL300013210531	1	32	-2.0	-119.21	316.92	2.43	-116.78
COCCCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210532	1	34	-2.0	-115.45	324.09	3.06	-112.39
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210533	1	33	-2.0	-108.27	303.74	6.42	-101.85
CCOCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210534	1	31	-2.0	-117.95	302.97	2.42	-115.53
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210535	1	36	-2.0	-116.34	320.59	5.61	-110.73
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1CCCCO1	REAL300013210536	1	35	-2.0	-120.04	320.99	3.76	-116.28
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(SC=C3)S2)CC2=CC=CC=C2C1	REAL300013210537	1	35	-2.0	-125.34	325.46	6.48	-118.86
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(SC=C3)S2)[C@@H]1C(=O)[O-]	REAL300013210538	1	32	-2.0	-123.78	293.72	4.84	-118.94
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210539	1	34	-2.0	-108.10	313.04	6.39	-101.71
N#CCCC(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210540	1	28	-2.0	-109.05	289.77	3.73	-105.32
O=C([O-])C(NC(=O)[N-]C1=NC2=C(SC=C2)S1)C12CC3CC(CC(C3)C1)C2	REAL300013210541	1	45	-2.0	-125.27	362.29	7.31	-117.96
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210542	1	37	-2.0	-119.25	353.51	6.58	-112.67
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210543	1	31	-2.0	-117.61	310.45	6.45	-111.16
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210544	1	42	-2.0	-128.39	343.89	7.27	-121.12
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300013210545	1	33	-2.0	-113.00	339.91	4.84	-108.16
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(SC=C3)S2)C1	REAL300013210546	1	35	-2.0	-124.70	325.48	5.13	-119.57
C=CCN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013210547	1	46	-2.0	-105.78	385.58	8.57	-97.21
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210548	1	39	-2.0	-115.29	355.26	4.96	-110.33
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210549	1	45	-2.0	-120.36	388.53	7.06	-113.30
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210550	1	45	-2.0	-116.35	366.66	5.18	-111.17
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210551	1	42	-2.0	-117.36	357.81	7.67	-109.69
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013210552	1	39	-2.0	-121.14	343.92	4.74	-116.40
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210553	1	32	-2.0	-107.85	301.68	2.64	-105.21
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC2=CC=CC=C2C=C1	REAL300013210554	1	42	-2.0	-123.89	368.45	6.33	-117.56
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C(=O)[O-])CCSCC1	REAL300013210555	1	37	-2.0	-113.89	313.78	3.72	-110.17
COCC(C)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210556	1	36	-2.0	-118.74	308.96	1.48	-117.26
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210557	1	39	-2.0	-108.34	330.76	3.55	-104.79
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210558	1	38	-2.0	-114.30	322.53	5.08	-109.22
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210559	1	45	-2.0	-114.82	368.00	7.69	-107.13
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210560	1	35	-2.0	-109.18	326.25	5.16	-104.02
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCOC1	REAL300013210561	1	34	-2.0	-114.86	292.22	0.34	-114.52
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C1CCCCC1	REAL300013210562	1	42	-2.0	-116.36	342.40	4.34	-112.02
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C(O)C=C1	REAL300013210563	1	37	-2.0	-117.98	333.53	1.20	-116.78
CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013210564	1	43	-2.0	-110.11	358.22	4.91	-105.20
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210565	1	43	-2.0	-129.30	361.99	8.27	-121.03
C=CCOCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210566	1	37	-2.0	-117.03	332.71	1.70	-115.33
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210567	1	37	-2.0	-130.47	309.97	1.92	-128.55
C=CC(C)C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210568	1	36	-2.0	-112.35	316.60	3.08	-109.27
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C1CCOCC1	REAL300013210569	1	40	-2.0	-115.09	336.60	1.96	-113.13
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C(F)C(F)=C1	REAL300013210570	1	36	-2.0	-111.32	334.82	4.15	-107.17
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C(Cl)C(F)=C1	REAL300013210571	1	36	-2.0	-111.96	344.71	4.59	-107.37
COC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C(C(=O)[O-])C1	REAL300013210572	1	40	-2.0	-125.45	331.66	4.26	-121.19
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C1CCCOC1	REAL300013210573	1	40	-2.0	-113.69	331.04	1.73	-111.96
CC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C(C(=O)[O-])C1	REAL300013210574	1	39	-2.0	-126.85	313.25	5.69	-121.16
CC1=CC(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])=CC=C1F	REAL300013210575	1	39	-2.0	-114.25	349.46	4.68	-109.57
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C2OCCC2=C1	REAL300013210576	1	41	-2.0	-119.48	358.64	3.83	-115.65
CC1=CC(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])=CC(C)=C1	REAL300013210577	1	42	-2.0	-123.38	365.53	5.31	-118.07
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1C	REAL300013210578	1	42	-2.0	-122.87	361.17	5.18	-117.69
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1O	REAL300013210579	1	41	-2.0	-118.77	362.99	1.11	-117.66
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1Cl	REAL300013210580	1	40	-2.0	-117.61	368.23	3.85	-113.76
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210581	1	36	-2.0	-126.06	299.18	5.25	-120.81
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C(Cl)C=C1	REAL300013210582	1	36	-2.0	-113.97	339.25	4.59	-109.38
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210583	1	34	-2.0	-118.35	299.25	5.28	-113.07
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C(=O)[O-])CCCCC1	REAL300013210584	1	39	-2.0	-120.64	316.09	4.04	-116.60
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCCC1	REAL300013210585	1	36	-2.0	-119.60	301.57	2.93	-116.67
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCCCCC1	REAL300013210586	1	42	-2.0	-120.80	321.74	4.69	-116.11
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210587	1	39	-2.0	-115.45	344.12	4.95	-110.50
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210588	1	39	-2.0	-117.14	345.63	7.03	-110.11
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1	REAL300013210589	1	36	-2.0	-120.85	322.75	3.98	-116.87
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1	REAL300013210590	1	36	-2.0	-121.16	322.49	4.07	-117.09
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210591	1	39	-2.0	-115.45	344.12	4.95	-110.50
CCC(C)C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210592	1	38	-2.0	-115.87	321.57	3.12	-112.75
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210593	1	36	-2.0	-126.06	299.18	5.25	-120.81
CCCC(C)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210594	1	38	-2.0	-116.65	312.22	2.95	-113.70
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210595	1	38	-2.0	-114.30	322.53	5.08	-109.22
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210596	1	40	-2.0	-127.69	337.21	7.39	-120.30
CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1CC1	REAL300013210597	1	36	-2.0	-118.25	303.43	3.02	-115.23
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CS1	REAL300013210598	1	33	-2.0	-117.79	314.38	3.08	-114.71
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C(=O)[O-])CCCCC1	REAL300013210599	1	39	-2.0	-120.64	316.09	4.04	-116.60
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210600	1	39	-2.0	-107.45	356.30	7.26	-100.19
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210601	1	43	-2.0	-121.37	374.07	5.00	-116.37
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210602	1	38	-2.0	-115.51	317.09	2.93	-112.58
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCCC1	REAL300013210603	1	36	-2.0	-119.60	301.57	2.93	-116.67
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210604	1	39	-2.0	-107.22	345.99	6.81	-100.41
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC2=CC=CC=C2C1	REAL300013210605	1	40	-2.0	-124.05	342.28	5.19	-118.86
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC(F)=CC=C1F	REAL300013210606	1	36	-2.0	-119.68	333.60	4.16	-115.52
CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013210607	1	39	-2.0	-122.86	330.83	4.70	-118.16
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210608	1	47	-2.0	-117.42	376.71	5.29	-112.13
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210609	1	34	-2.0	-122.57	298.41	0.49	-122.08
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210610	1	40	-2.0	-118.72	367.69	4.89	-113.83
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C(Cl)C=C1	REAL300013210611	1	36	-2.0	-113.97	339.25	4.59	-109.38
O=C([O-])C1COCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210612	1	34	-2.0	-119.74	290.33	2.88	-116.86
CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013210613	1	42	-2.0	-119.82	327.50	5.78	-114.04
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210614	1	42	-2.0	-117.08	368.02	7.81	-109.27
CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013210615	1	39	-2.0	-115.49	331.77	5.87	-109.62
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210616	1	36	-2.0	-115.47	317.99	3.20	-112.27
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCC2=CC=CC=C21	REAL300013210617	1	40	-2.0	-128.00	337.44	4.99	-123.01
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210618	1	36	-2.0	-125.96	299.12	5.33	-120.63
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210619	1	34	-2.0	-120.71	299.15	0.25	-120.46
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210620	1	36	-2.0	-120.74	304.31	4.43	-116.31
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210621	1	43	-2.0	-120.76	378.65	4.93	-115.83
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210622	1	39	-2.0	-125.34	314.03	6.08	-119.26
CCCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210623	1	38	-2.0	-113.76	329.58	3.46	-110.30
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC(O)=C1	REAL300013210624	1	37	-2.0	-121.01	333.12	1.17	-119.84
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210625	1	42	-2.0	-117.08	368.02	7.81	-109.27
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210626	1	36	-2.0	-121.14	304.30	4.44	-116.70
CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013210627	1	42	-2.0	-119.82	327.50	5.78	-114.04
O=C([O-])CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CCCC1	REAL300013210628	1	39	-2.0	-115.63	322.96	5.59	-110.04
COCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210629	1	33	-2.0	-116.07	297.95	0.15	-115.92
CCCCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210630	1	41	-2.0	-113.80	351.08	4.24	-109.56
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210631	1	38	-2.0	-115.40	315.75	3.04	-112.36
CCC1CCC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])CC1	REAL300013210632	1	45	-2.0	-120.55	355.16	5.29	-115.26
O=C([O-])CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CCOCC1	REAL300013210633	1	40	-2.0	-115.40	331.40	3.92	-111.48
CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1(C(=O)[O-])CCCC1	REAL300013210634	1	39	-2.0	-122.01	314.14	4.83	-117.18
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CC1	REAL300013210635	1	36	-2.0	-104.34	304.35	5.72	-98.62
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CC1	REAL300013210636	1	39	-2.0	-109.43	321.15	5.75	-103.68
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1Cl	REAL300013210637	1	36	-2.0	-121.46	334.71	4.42	-117.04
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1F	REAL300013210638	1	36	-2.0	-124.94	326.90	4.15	-120.79
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210639	1	40	-2.0	-120.53	339.65	6.80	-113.73
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])=C1C	REAL300013210640	1	42	-2.0	-122.40	352.74	5.01	-117.39
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1F	REAL300013210641	1	40	-2.0	-117.76	358.43	3.36	-114.40
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CC1	REAL300013210642	1	40	-2.0	-107.18	335.11	5.29	-101.89
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CCC1	REAL300013210643	1	39	-2.0	-107.46	320.62	5.16	-102.30
CCCN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(COC)C(=O)[O-]	REAL300013210644	1	42	-2.0	-118.31	350.69	5.56	-112.75
CCCN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(CC)C(=O)[O-]	REAL300013210645	1	41	-2.0	-119.78	336.27	6.75	-113.03
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210646	1	38	-2.0	-114.82	325.26	3.25	-111.57
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C(=O)[O-])CCOCC1	REAL300013210647	1	37	-2.0	-115.99	307.51	1.54	-114.45
C=CCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210648	1	36	-2.0	-113.58	320.06	3.27	-110.31
CCC(CC)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210649	1	38	-2.0	-117.72	307.39	3.09	-114.63
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013210650	1	40	-2.0	-118.42	352.01	3.36	-115.06
CCC(COC)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210651	1	39	-2.0	-120.54	325.64	2.39	-118.15
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300013210652	1	39	-2.0	-115.13	332.62	0.03	-115.10
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210653	1	36	-2.0	-114.48	317.35	3.49	-110.99
COCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210654	1	36	-2.0	-111.76	319.42	1.01	-110.75
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210655	1	32	-2.0	-109.06	296.37	2.46	-106.60
CCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013210656	1	42	-2.0	-117.58	364.23	6.09	-111.49
CCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013210657	1	42	-2.0	-123.81	347.54	5.57	-118.24
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C1	REAL300013210658	1	46	-2.0	-120.24	372.79	3.12	-117.12
O=C([O-])C(CCF)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210659	1	32	-2.0	-108.65	292.34	2.07	-106.58
COC1(CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])CCC1	REAL300013210660	1	43	-2.0	-118.05	356.66	3.33	-114.72
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC3=C(COCC3)S2)=C1	REAL300013210661	1	43	-2.0	-119.80	365.20	5.48	-114.32
O=C([O-])CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CCOCC1	REAL300013210662	1	40	-2.0	-115.40	331.40	3.92	-111.48
O=C([O-])CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CCCCC1	REAL300013210663	1	42	-2.0	-116.91	340.36	6.30	-110.61
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])CC1	REAL300013210664	1	42	-2.0	-120.87	329.89	4.42	-116.45
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])=C1	REAL300013210665	1	40	-2.0	-122.74	351.61	3.32	-119.42
CC(CCF)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210666	1	35	-2.0	-110.89	297.31	2.34	-108.55
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC3=C(COCC3)S1)OC=C2	REAL300013210667	1	37	-2.0	-116.91	322.32	4.93	-111.98
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])=C1	REAL300013210668	1	40	-2.0	-122.75	351.63	3.31	-119.44
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013210669	1	42	-2.0	-121.47	353.88	5.86	-115.61
COC1=CC=CC(CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])=C1	REAL300013210670	1	43	-2.0	-117.02	374.51	4.22	-112.80
CC1(C)CCCC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013210671	1	45	-2.0	-122.09	344.01	4.91	-117.18
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210672	1	34	-2.0	-124.72	293.49	4.43	-120.29
CC(CC1=CC=C(Cl)C=C1)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210673	1	42	-2.0	-114.95	364.86	5.55	-109.40
CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013210674	1	41	-2.0	-122.44	359.05	5.37	-117.07
COC1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)C(C)(C(=O)[O-])C1	REAL300013210675	1	40	-2.0	-120.74	337.49	3.41	-117.33
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210676	1	43	-2.0	-116.21	353.50	3.50	-112.71
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210677	1	38	-2.0	-115.40	315.75	3.04	-112.36
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210678	1	33	-2.0	-110.87	315.85	2.96	-107.91
C=C(C)CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210679	1	36	-2.0	-113.10	319.60	3.14	-109.96
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210680	1	37	-2.0	-124.55	307.06	5.18	-119.37
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210681	1	34	-2.0	-119.87	299.20	0.25	-119.62
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210682	1	42	-2.0	-114.89	354.55	5.10	-109.79
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210683	1	33	-2.0	-111.08	300.14	4.05	-107.03
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210684	1	33	-2.0	-116.14	293.64	3.99	-112.15
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013210685	1	34	-2.0	-122.23	300.42	4.33	-117.90
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210686	1	43	-2.0	-113.53	353.82	3.40	-110.13
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210687	1	38	-2.0	-114.82	325.26	3.25	-111.57
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C1CCOCC1	REAL300013210688	1	40	-2.0	-115.09	336.60	1.96	-113.13
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1	REAL300013210689	1	36	-2.0	-121.16	322.49	4.07	-117.09
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210690	1	36	-2.0	-114.48	317.35	3.49	-110.99
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210691	1	35	-2.0	-113.52	331.55	2.08	-111.44
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210692	1	44	-2.0	-114.16	368.64	4.74	-109.42
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210693	1	42	-2.0	-118.59	374.48	5.38	-113.21
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210694	1	40	-2.0	-120.24	342.52	2.36	-117.88
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210695	1	33	-2.0	-112.72	293.33	-0.98	-113.70
CSCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210696	1	33	-2.0	-113.51	309.38	2.37	-111.14
COC[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210697	1	33	-2.0	-115.91	298.43	0.16	-115.75
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210698	1	39	-2.0	-111.05	351.17	5.06	-105.99
CCC(C)CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210699	1	41	-2.0	-115.70	342.74	3.94	-111.76
C=CCCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210700	1	39	-2.0	-113.53	342.39	4.02	-109.51
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210701	1	39	-2.0	-111.46	351.35	5.00	-106.46
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC2=CC=CC=C21	REAL300013210702	1	42	-2.0	-128.62	363.64	6.16	-122.46
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210703	1	34	-2.0	-118.35	299.25	5.28	-113.07
CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013210704	1	39	-2.0	-122.86	330.83	4.70	-118.16
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210705	1	37	-2.0	-126.97	309.98	5.58	-121.39
CCN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(C)(C)C(=O)[O-]	REAL300013210706	1	38	-2.0	-118.30	312.36	4.89	-113.41
CCCN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(C)C(=O)[O-]	REAL300013210707	1	38	-2.0	-109.45	319.54	4.96	-104.49
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210708	1	41	-2.0	-114.86	344.45	5.50	-109.36
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210709	1	37	-2.0	-127.23	311.91	4.85	-122.38
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1	REAL300013210710	1	36	-2.0	-120.85	322.75	3.98	-116.87
CCC(C)CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210713	1	41	-2.0	-115.70	342.74	3.94	-111.76
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210714	1	42	-2.0	-120.15	357.82	8.14	-112.01
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210715	1	39	-2.0	-114.61	339.26	3.81	-110.80
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210716	1	38	-2.0	-112.34	339.86	3.22	-109.12
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210717	1	42	-2.0	-109.37	351.53	4.40	-104.97
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210718	1	41	-2.0	-107.77	336.97	5.54	-102.23
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=N1	REAL300013210719	1	35	-2.0	-124.12	319.12	2.40	-121.72
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210720	1	42	-2.0	-123.62	341.77	6.26	-117.36
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210721	1	42	-2.0	-112.74	350.82	7.04	-105.70
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210724	1	38	-2.0	-112.34	339.86	3.22	-109.12
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CN=C1	REAL300013210725	1	35	-2.0	-117.54	317.64	2.20	-115.34
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210726	1	40	-2.0	-122.55	333.19	4.64	-117.91
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210727	0	40	-2.0	-124.95	341.12	7.88	-117.07
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC3=C(COCC3)S2)[C@H]1C(=O)[O-]	REAL300013210728	0	43	-2.0	-119.42	351.83	7.36	-112.06
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210729	1	41	-2.0	-113.06	362.62	4.00	-109.06
C=CCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210730	1	36	-2.0	-113.58	320.06	3.27	-110.31
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210731	1	35	-2.0	-114.36	331.28	1.99	-112.37
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210732	1	36	-2.0	-107.55	351.04	3.73	-103.82
CC#CCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210733	1	34	-2.0	-114.65	313.85	3.30	-111.35
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1=O	REAL300013210734	1	37	-2.0	-115.66	315.54	3.24	-112.42
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210735	1	36	-2.0	-120.76	304.27	4.44	-116.32
O=C([O-])[C@@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=CC=C1	REAL300013210736	1	36	-2.0	-121.02	322.11	4.02	-117.00
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210737	1	39	-2.0	-118.48	332.19	3.23	-115.25
O=C([O-])CN(C(=O)[N-]C1=NC2=C(COCC2)S1)C1CCCC1	REAL300013210738	1	39	-2.0	-115.63	322.96	5.59	-110.04
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210739	1	38	-2.0	-115.51	317.09	2.93	-112.58
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC(CO)C1	REAL300013210740	1	37	-2.0	-124.31	318.26	-0.31	-124.62
CCN(C(=O)[N-]C1=NC2=C(COCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013210741	1	45	-2.0	-120.36	370.42	8.08	-112.28
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210742	1	45	-2.0	-120.06	369.26	3.25	-116.81
CC1CCC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013210743	1	39	-2.0	-120.12	321.76	3.57	-116.55
CC1(C)CCCC1(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210744	1	42	-2.0	-123.64	330.54	4.18	-119.46
COCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210745	1	36	-2.0	-111.76	319.42	1.01	-110.75
CC1(C)CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013210746	1	39	-2.0	-121.12	324.14	4.21	-116.91
CC1CCC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C2=CC=CC=C21	REAL300013210747	1	46	-2.0	-129.53	371.60	6.27	-123.26
CC1(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])CC1	REAL300013210748	1	36	-2.0	-117.07	310.18	3.27	-113.80
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210749	1	45	-2.0	-119.73	370.91	3.15	-116.58
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210750	1	34	-2.0	-128.32	299.22	0.43	-127.89
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210751	1	44	-2.0	-125.03	367.03	7.88	-117.15
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1CCOC1	REAL300013210752	1	37	-2.0	-112.04	321.11	1.05	-110.99
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210753	1	37	-2.0	-124.67	309.29	5.00	-119.67
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CNC2=CC=CC=C12	REAL300013210754	1	40	-2.0	-127.34	354.87	4.04	-123.30
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300013210755	1	35	-2.0	-119.87	300.50	2.73	-117.14
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013210756	1	39	-2.0	-127.03	315.45	6.13	-120.90
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210757	1	42	-2.0	-115.94	360.09	5.28	-110.66
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210758	1	43	-2.0	-116.49	359.29	5.05	-111.44
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1CCC1	REAL300013210759	1	36	-2.0	-116.34	307.23	2.81	-113.53
CC1(C)CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])CC(C)(C)O1	REAL300013210760	1	49	-2.0	-119.41	379.99	4.61	-114.80
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C1CCCCC1	REAL300013210761	1	42	-2.0	-116.36	342.40	4.34	-112.02
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1CCC1	REAL300013210762	1	36	-2.0	-116.34	307.23	2.81	-113.53
CC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1C(=O)[O-]	REAL300013210763	1	36	-2.0	-123.32	304.79	4.04	-119.28
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210764	1	43	-2.0	-117.73	358.82	3.65	-114.08
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210765	1	43	-2.0	-126.46	334.26	5.82	-120.64
CC1(C)CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])CCO1	REAL300013210766	1	43	-2.0	-116.96	336.60	2.84	-114.12
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC3=C(COCC3)S1)C2C(=O)[O-]	REAL300013210767	1	43	-2.0	-132.76	353.51	7.82	-124.94
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210768	1	43	-2.0	-116.49	359.29	5.05	-111.44
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210769	1	39	-2.0	-112.68	351.41	4.99	-107.69
COC1CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013210770	1	37	-2.0	-116.61	319.28	1.39	-115.22
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC(F)(F)C1	REAL300013210771	1	33	-2.0	-113.30	296.13	2.55	-110.75
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013210772	1	37	-2.0	-122.30	319.66	1.78	-120.52
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1(C(F)(F)F)CC1	REAL300013210773	1	36	-2.0	-111.74	324.54	3.68	-108.06
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210774	1	39	-2.0	-122.79	317.66	5.67	-117.12
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210775	1	32	-2.0	-107.85	301.68	2.64	-105.21
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210776	1	40	-2.0	-114.13	340.15	1.99	-112.14
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210777	1	36	-2.0	-113.88	336.63	4.04	-109.84
COCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013210778	1	43	-2.0	-123.98	363.74	3.89	-120.09
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210779	1	38	-2.0	-117.07	305.64	2.82	-114.25
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210780	1	34	-2.0	-125.33	294.49	5.04	-120.29
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210781	1	37	-2.0	-124.92	310.60	4.71	-120.21
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210782	1	42	-2.0	-112.74	350.82	7.04	-105.70
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210783	1	45	-2.0	-116.35	366.66	5.18	-111.17
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210784	1	42	-2.0	-115.69	367.15	5.72	-109.97
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210785	1	42	-2.0	-115.43	367.98	5.70	-109.73
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1CC2CCC1C2	REAL300013210786	1	43	-2.0	-118.72	347.02	4.58	-114.14
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210787	1	45	-2.0	-116.33	366.70	5.19	-111.14
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210788	1	45	-2.0	-116.69	366.06	5.12	-111.57
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210789	1	43	-2.0	-125.86	349.49	5.93	-119.93
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210790	1	43	-2.0	-125.15	344.79	5.74	-119.41
COC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013210791	1	43	-2.0	-114.76	374.26	4.29	-110.47
C=CCSCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210792	1	37	-2.0	-114.23	344.33	3.78	-110.45
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013210793	1	40	-2.0	-110.30	365.58	5.38	-104.92
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210794	1	38	-2.0	-116.13	315.44	5.53	-110.60
COC1(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])CCC1	REAL300013210795	1	40	-2.0	-115.31	332.53	1.77	-113.54
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCC(C(F)F)CC1	REAL300013210796	1	42	-2.0	-119.31	347.69	4.83	-114.48
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCC2=CC=CC=C2C1	REAL300013210797	1	43	-2.0	-123.93	353.99	5.96	-117.97
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC(C(F)F)C1	REAL300013210798	1	36	-2.0	-121.20	319.70	3.36	-117.84
O=C([O-])C1CC(NC(=O)NC2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013210799	0	36	-2.0	-116.07	319.85	4.31	-111.76
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)(C(=O)[O-])C1	REAL300013210799	1	35	-3.0	-196.30	316.58	3.11	-193.19
CC(C)(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013210800	1	48	-2.0	-120.85	398.72	6.39	-114.46
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013210801	1	45	-2.0	-120.92	382.33	5.96	-114.96
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210802	1	33	-2.0	-116.14	293.64	3.99	-112.15
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210803	1	35	-2.0	-126.02	303.66	4.76	-121.26
CC1(C)CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1C(=O)[O-]	REAL300013210804	1	39	-2.0	-124.15	321.14	4.68	-119.47
CCOC1=CC=C(C(NC(=O)[N-]C2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300013210805	1	43	-2.0	-118.22	374.11	4.20	-114.02
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210806	1	43	-2.0	-129.26	344.81	6.97	-122.29
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1CCC2=CC=CC=C21	REAL300013210807	1	43	-2.0	-117.17	357.46	5.53	-111.64
CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210808	1	43	-2.0	-121.59	365.17	4.94	-116.65
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210809	1	39	-2.0	-113.98	358.72	4.98	-109.00
CC(C)CCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210810	1	41	-2.0	-114.21	346.32	4.01	-110.20
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210811	1	40	-2.0	-127.76	336.80	5.46	-122.30
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210812	1	40	-2.0	-114.13	340.15	1.99	-112.14
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013210813	1	37	-2.0	-117.87	331.43	4.89	-112.98
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210814	1	33	-2.0	-109.17	290.52	-1.56	-110.73
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCCC2CC21	REAL300013210815	1	40	-2.0	-123.18	321.80	4.67	-118.51
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCC2CC21	REAL300013210816	1	37	-2.0	-120.92	310.21	3.53	-117.39
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC2(CCC2)C1	REAL300013210817	1	40	-2.0	-121.17	330.32	4.13	-117.04
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC3=C(COCC3)S1)CCCCC2	REAL300013210818	1	46	-2.0	-127.16	363.67	6.41	-120.75
O=C([O-])C(NC(=O)[N-]C1=NC2=C(COCC2)S1)C1CCCC1	REAL300013210819	1	39	-2.0	-116.75	322.80	3.44	-113.31
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210820	1	36	-2.0	-116.48	316.58	1.15	-115.33
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210821	1	36	-2.0	-121.58	309.59	3.53	-118.05
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210822	1	39	-2.0	-117.14	345.63	7.03	-110.11
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013210823	1	39	-2.0	-125.18	327.44	4.75	-120.43
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210824	1	40	-2.0	-118.30	348.35	7.22	-111.08
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210825	1	36	-2.0	-116.82	310.58	5.37	-111.45
O=C([O-])C1N(C(=O)[N-]C2=NC3=C(COCC3)S2)CCC1(F)F	REAL300013210826	1	33	-2.0	-118.18	298.85	4.02	-114.16
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210827	1	39	-2.0	-112.68	351.41	4.99	-107.69
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210828	1	36	-2.0	-113.13	335.83	3.87	-109.26
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210829	1	36	-2.0	-110.80	316.35	4.56	-106.24
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC2(CC(F)(F)C2)C1	REAL300013210830	1	40	-2.0	-119.41	349.52	4.57	-114.84
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210831	1	44	-2.0	-121.24	375.40	6.36	-114.88
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210832	1	36	-2.0	-113.13	335.83	3.87	-109.26
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210833	1	40	-2.0	-125.80	325.47	5.29	-120.51
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=CC=C(O)C=C1	REAL300013210834	1	37	-2.0	-117.95	333.74	1.14	-116.81
COCCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210835	1	39	-2.0	-114.46	341.75	1.75	-112.71
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210836	1	38	-2.0	-107.37	320.57	5.13	-102.24
CCOCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210837	1	36	-2.0	-116.92	319.81	1.13	-115.79
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210838	1	41	-2.0	-114.84	337.41	4.33	-110.51
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C1CCCCO1	REAL300013210839	1	40	-2.0	-119.10	337.82	2.47	-116.63
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CC2=CC=CC=C2C1	REAL300013210840	1	40	-2.0	-124.05	342.28	5.19	-118.86
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)[C@@H]1C(=O)[O-]	REAL300013210841	1	37	-2.0	-121.91	310.54	3.55	-118.36
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210842	1	39	-2.0	-106.74	329.86	5.10	-101.64
N#CCCC(NC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210843	1	33	-2.0	-108.03	307.44	2.41	-105.62
O=C([N-]C1=NC2=C(COCC2)S1)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300013210844	1	50	-2.0	-123.45	378.45	6.09	-117.36
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210845	1	42	-2.0	-118.22	370.32	5.28	-112.94
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210846	1	36	-2.0	-116.84	327.29	5.17	-111.67
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210847	1	47	-2.0	-126.52	360.71	5.98	-120.54
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013210848	1	38	-2.0	-111.54	356.50	3.61	-107.93
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013210849	1	40	-2.0	-123.38	342.32	3.84	-119.54
O=C([O-])C1CC(NC(=O)NC2=CN(CC(F)(F)F)N=C2)(C(=O)[O-])C1	REAL300013211127	0	35	-2.0	-123.59	320.98	4.93	-118.66
CCCN1C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013211354	0	38	-2.0	-121.58	324.60	5.19	-116.39
O=C([O-])C1CC(NC(=O)NC2=CN(C3CCCC3)N=C2)(C(=O)[O-])C1	REAL300013211646	0	42	-2.0	-120.35	344.46	6.23	-114.12
O=C([O-])C1CC(NC(=O)NC2=CC(C3CC3)=CC=N2)(C(=O)[O-])C1	REAL300013211906	0	38	-2.0	-128.54	326.44	7.79	-120.75
CC(C1=CC=CC=C1)N1C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013212214	0	45	-2.0	-121.29	377.21	7.72	-113.57
CC(C)(C)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300013212505	0	43	-2.0	-130.32	353.50	7.97	-122.35
C=CCN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013212555	1	48	-2.0	-105.78	397.37	10.91	-94.87
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212556	1	41	-2.0	-117.06	371.49	7.51	-109.55
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212557	1	47	-2.0	-120.87	400.54	9.32	-111.55
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212558	1	47	-2.0	-116.75	378.43	7.52	-109.23
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212559	1	44	-2.0	-117.48	369.58	10.02	-107.46
CC1=CC=C(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])C=C1	REAL300013212560	1	41	-2.0	-121.48	355.69	7.08	-114.40
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212561	1	34	-2.0	-108.02	314.27	4.94	-103.08
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC2=CC=CC=C2C=C1	REAL300013212562	1	44	-2.0	-124.33	380.21	8.67	-115.66
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCSCC1	REAL300013212563	1	39	-2.0	-114.42	325.57	6.06	-108.36
COCC(C)(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212564	1	38	-2.0	-118.78	320.73	3.82	-114.96
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212565	1	41	-2.0	-108.64	342.83	5.86	-102.78
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212566	1	40	-2.0	-114.28	334.29	7.42	-106.86
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212567	1	47	-2.0	-117.68	384.49	10.05	-107.63
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212568	1	37	-2.0	-109.10	338.02	7.50	-101.60
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCOC1	REAL300013212569	1	36	-2.0	-114.99	304.00	2.67	-112.32
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCCCC1	REAL300013212570	1	44	-2.0	-118.26	352.08	6.46	-111.80
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=C(O)C=C1	REAL300013212571	1	39	-2.0	-118.25	345.53	3.48	-114.77
CN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C(COC1CCC1)C(=O)[O-]	REAL300013212572	1	45	-2.0	-110.05	370.01	7.25	-102.80
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212573	1	45	-2.0	-130.23	373.72	10.61	-119.62
C=CCOCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212574	1	39	-2.0	-117.61	344.82	4.09	-113.52
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212575	1	39	-2.0	-131.33	318.70	5.05	-126.28
C=CC(C)C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212576	1	38	-2.0	-113.23	329.88	5.40	-107.83
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCOCC1	REAL300013212577	1	42	-2.0	-117.20	342.26	4.12	-113.08
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=C(F)C(F)=C1	REAL300013212578	1	38	-2.0	-111.28	347.18	6.45	-104.83
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=C(Cl)C(F)=C1	REAL300013212579	1	38	-2.0	-112.00	357.07	6.90	-105.10
COC1CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C(C(=O)[O-])C1	REAL300013212580	1	42	-2.0	-125.71	343.43	6.61	-119.10
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCCOC1	REAL300013212581	1	42	-2.0	-114.01	342.81	4.06	-109.95
CC1CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C(C(=O)[O-])C1	REAL300013212582	1	41	-2.0	-126.92	331.88	8.21	-118.71
CC1=CC(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])=CC=C1F	REAL300013212583	1	41	-2.0	-114.34	361.23	7.02	-107.32
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=C2OCCC2=C1	REAL300013212584	1	43	-2.0	-119.67	370.17	6.25	-113.42
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])=C1	REAL300013212585	1	44	-2.0	-123.25	376.69	7.70	-115.55
CC1=CC=C(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])C=C1C	REAL300013212586	1	44	-2.0	-123.31	372.94	7.53	-115.78
COC1=CC=C(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])C=C1O	REAL300013212587	1	43	-2.0	-118.74	374.76	3.45	-115.29
COC1=CC=C(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])C=C1Cl	REAL300013212588	1	42	-2.0	-117.55	380.00	6.19	-111.36
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212589	1	38	-2.0	-126.40	310.96	7.59	-118.81
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=C(Cl)C=C1	REAL300013212590	1	38	-2.0	-114.25	351.25	6.85	-107.40
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212591	1	36	-2.0	-118.58	311.02	7.64	-110.94
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCCCC1	REAL300013212592	1	41	-2.0	-120.70	327.87	6.38	-114.32
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCCC1	REAL300013212593	1	38	-2.0	-120.14	313.34	5.27	-114.87
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCCCCC1	REAL300013212594	1	44	-2.0	-121.48	333.51	7.03	-114.45
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212595	1	41	-2.0	-115.58	356.72	7.26	-108.32
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212596	1	41	-2.0	-117.14	357.38	9.37	-107.77
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=CC=C1	REAL300013212597	1	38	-2.0	-121.15	334.29	6.41	-114.74
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=CC=C1	REAL300013212598	1	38	-2.0	-121.23	334.49	6.33	-114.90
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212599	1	41	-2.0	-115.58	356.72	7.26	-108.32
CCC(C)C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212600	1	40	-2.0	-115.66	329.00	5.24	-110.42
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212601	1	38	-2.0	-126.40	310.96	7.59	-118.81
CCCC(C)(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212602	1	40	-2.0	-116.71	323.98	5.30	-111.41
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212603	1	40	-2.0	-114.28	334.29	7.42	-106.86
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212604	1	42	-2.0	-128.12	348.98	9.74	-118.38
CC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)(C(=O)[O-])C1CC1	REAL300013212605	1	38	-2.0	-118.65	315.22	5.36	-113.29
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=CS1	REAL300013212606	1	35	-2.0	-118.21	326.12	5.42	-112.79
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O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212608	1	41	-2.0	-112.06	374.11	9.89	-102.17
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212609	1	45	-2.0	-121.23	385.00	7.38	-113.85
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212610	1	40	-2.0	-115.20	327.94	5.21	-109.99
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCCC1	REAL300013212611	1	38	-2.0	-120.14	313.34	5.27	-114.87
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212612	1	41	-2.0	-111.69	363.79	9.44	-102.25
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CC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013212615	1	41	-2.0	-122.96	342.60	7.04	-115.92
CCCCCCC(C)(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212616	1	49	-2.0	-117.40	388.47	7.63	-109.77
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CN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013212621	1	44	-2.0	-120.33	339.28	8.13	-112.20
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CN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013212623	1	41	-2.0	-115.10	346.87	8.80	-106.30
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212624	1	38	-2.0	-115.57	329.76	5.54	-110.03
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CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212628	1	38	-2.0	-121.21	316.09	6.78	-114.43
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CCCCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212631	1	40	-2.0	-113.75	341.34	5.80	-107.95
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CN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013212635	1	44	-2.0	-120.33	339.28	8.13	-112.20
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CCCCCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212637	1	43	-2.0	-113.83	362.84	6.58	-107.25
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CCC1CCC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)(C(=O)[O-])CC1	REAL300013212639	1	47	-2.0	-121.07	366.93	7.62	-113.45
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CN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C1(C(=O)[O-])CCCC1	REAL300013212641	1	41	-2.0	-122.09	325.92	7.17	-114.92
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCC2)=CS1)C1CC1	REAL300013212642	1	38	-2.0	-104.56	316.13	8.06	-96.50
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCC2)=CS1)C1CC1	REAL300013212643	1	41	-2.0	-109.63	333.20	8.27	-101.36
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CC1=CC=CC(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])=C1C	REAL300013212647	1	44	-2.0	-122.74	367.28	7.46	-115.28
COC1=CC=C(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])C=C1F	REAL300013212648	1	42	-2.0	-117.56	369.60	5.75	-111.81
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCC2)=CS1)C1CC1	REAL300013212649	1	42	-2.0	-106.93	345.76	7.50	-99.43
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCC1	REAL300013212650	1	41	-2.0	-107.74	332.21	7.43	-100.31
CCCN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C(COC)C(=O)[O-]	REAL300013212651	1	44	-2.0	-111.78	358.61	6.77	-105.01
CCCN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C(CC)C(=O)[O-]	REAL300013212652	1	43	-2.0	-107.92	346.75	8.08	-99.84
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212653	1	40	-2.0	-114.84	337.04	5.55	-109.29
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCOCC1	REAL300013212654	1	39	-2.0	-116.48	319.29	3.89	-112.59
C=CCCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212655	1	38	-2.0	-113.44	332.65	5.58	-107.86
CCC(CC)(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212656	1	40	-2.0	-117.69	319.15	5.43	-112.26
COC1=CC=C(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])C=C1	REAL300013212657	1	42	-2.0	-118.73	364.02	5.63	-113.10
CCC(COC)(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212658	1	41	-2.0	-120.49	337.40	4.73	-115.76
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCS(=O)(=O)CC1	REAL300013212659	1	41	-2.0	-115.51	344.31	2.38	-113.13
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212660	1	38	-2.0	-114.55	329.96	5.80	-108.75
COCCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212661	1	38	-2.0	-111.70	332.01	3.31	-108.39
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212662	1	34	-2.0	-109.11	308.96	4.77	-104.34
CCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013212663	1	44	-2.0	-118.10	376.01	8.43	-109.67
CCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013212664	1	44	-2.0	-124.43	359.31	7.91	-116.52
COC1CCCC(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])C1	REAL300013212665	1	48	-2.0	-119.24	389.45	5.71	-113.53
O=C([O-])C(CCF)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212666	1	34	-2.0	-108.65	304.69	4.46	-104.19
COC1(CC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])CCC1	REAL300013212667	1	45	-2.0	-118.37	368.31	5.59	-112.78
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC(C3CCC3)=CS2)=C1	REAL300013212668	1	45	-2.0	-117.63	372.98	7.51	-110.12
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCOCC1	REAL300013212669	1	42	-2.0	-115.51	343.18	6.26	-109.25
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCCCC1	REAL300013212670	1	44	-2.0	-116.98	352.14	8.63	-108.35
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC(C3CCC3)=CS2)(C(=O)[O-])CC1	REAL300013212671	1	44	-2.0	-121.49	341.62	6.75	-114.74
COC1=CC=CC(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])=C1	REAL300013212672	1	42	-2.0	-122.89	364.02	5.62	-117.27
CC(CCF)(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212673	1	37	-2.0	-110.89	309.07	4.68	-106.21
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC(C3CCC3)=CS1)OC=C2	REAL300013212674	1	39	-2.0	-116.92	334.10	7.27	-109.65
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])=C1	REAL300013212675	1	42	-2.0	-122.81	363.73	5.70	-117.11
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013212676	1	44	-2.0	-121.72	365.65	8.21	-113.51
COC1=CC=CC(CC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])=C1	REAL300013212677	1	45	-2.0	-118.48	385.98	6.64	-111.84
CC1(C)CCCC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)(C(=O)[O-])C1	REAL300013212678	1	47	-2.0	-122.79	355.79	7.25	-115.54
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212679	1	36	-2.0	-124.98	305.28	6.77	-118.21
CC(CC1=CC=C(Cl)C=C1)(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212680	1	44	-2.0	-115.05	376.65	7.89	-107.16
CC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013212681	1	43	-2.0	-122.58	370.80	7.71	-114.87
COC1CN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C(C)(C(=O)[O-])C1	REAL300013212682	1	42	-2.0	-120.74	349.27	5.75	-114.99
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212683	1	45	-2.0	-116.28	365.27	5.84	-110.44
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212684	1	40	-2.0	-115.36	327.51	5.37	-109.99
C=C(Cl)CC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212685	1	35	-2.0	-111.56	326.57	5.44	-106.12
C=C(C)CC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212686	1	38	-2.0	-113.31	331.48	5.56	-107.75
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212687	1	39	-2.0	-124.87	318.83	7.52	-117.35
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212688	1	36	-2.0	-120.28	311.00	2.58	-117.70
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212689	1	44	-2.0	-114.87	366.33	7.44	-107.43
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212690	1	35	-2.0	-111.09	311.87	6.39	-104.70
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212691	1	35	-2.0	-116.03	305.42	6.32	-109.71
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013212692	1	36	-2.0	-122.25	312.16	6.68	-115.57
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212693	1	45	-2.0	-114.44	369.80	5.07	-109.37
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212694	1	40	-2.0	-114.84	337.04	5.55	-109.29
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCOCC1	REAL300013212695	1	42	-2.0	-117.20	342.26	4.12	-113.08
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=CC=C1	REAL300013212696	1	38	-2.0	-121.23	334.49	6.33	-114.90
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300013212697	1	41	-2.0	-116.07	373.22	7.32	-108.75
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212698	1	38	-2.0	-114.55	329.96	5.80	-108.75
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212699	1	37	-2.0	-113.45	342.49	4.46	-108.99
CC(C)CCCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212700	1	46	-2.0	-114.24	380.16	7.15	-107.09
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212701	1	44	-2.0	-118.99	386.64	7.67	-111.32
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212702	1	42	-2.0	-120.72	354.54	4.64	-116.08
CSCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212703	1	35	-2.0	-113.75	321.80	4.67	-109.08
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212704	1	41	-2.0	-111.37	363.19	7.34	-104.03
CCC(C)CC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212705	1	43	-2.0	-115.05	355.03	6.27	-108.78
C=CCCCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212706	1	41	-2.0	-113.67	354.15	6.36	-107.31
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212707	1	41	-2.0	-111.41	362.88	7.40	-104.01
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=CC2=CC=CC=C21	REAL300013212708	1	44	-2.0	-128.47	374.32	8.51	-119.96
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212709	1	36	-2.0	-118.58	311.02	7.64	-110.94
CC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013212710	1	41	-2.0	-122.96	342.60	7.04	-115.92
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212711	1	39	-2.0	-127.30	321.61	7.88	-119.42
CCN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C(C)(C)C(=O)[O-]	REAL300013212712	1	40	-2.0	-118.90	324.11	7.23	-111.67
CCCN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C(C)C(=O)[O-]	REAL300013212713	1	40	-2.0	-108.51	329.59	7.23	-101.28
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212714	1	43	-2.0	-114.75	356.17	7.84	-106.91
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212715	1	39	-2.0	-128.58	322.35	7.34	-121.24
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=CC=C1	REAL300013212716	1	38	-2.0	-121.15	334.29	6.41	-114.74
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300013212717	1	41	-2.0	-112.62	373.01	7.41	-105.21
CCC(C)CC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212720	1	43	-2.0	-115.05	355.03	6.27	-108.78
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212721	1	44	-2.0	-113.19	361.59	9.21	-103.98
CC(C)=CCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212722	1	41	-2.0	-115.32	351.01	6.16	-109.16
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212723	1	40	-2.0	-112.65	351.66	5.56	-107.09
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212724	1	44	-2.0	-109.61	363.72	6.70	-102.91
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212725	1	43	-2.0	-107.21	349.28	7.93	-99.28
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=CC=N1	REAL300013212726	1	37	-2.0	-124.44	330.88	4.75	-119.69
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212727	1	44	-2.0	-124.00	353.48	8.70	-115.30
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212728	1	44	-2.0	-113.09	361.53	9.21	-103.88
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212731	1	40	-2.0	-112.65	351.66	5.56	-107.09
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=CN=C1	REAL300013212732	1	37	-2.0	-117.96	329.41	4.54	-113.42
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212733	1	42	-2.0	-122.76	344.50	6.97	-115.79
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212734	0	42	-2.0	-124.87	352.88	10.22	-114.65
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC(C3CCC3)=CS2)[C@H]1C(=O)[O-]	REAL300013212735	0	45	-2.0	-119.42	363.57	9.72	-109.70
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212736	1	43	-2.0	-113.35	374.63	6.27	-107.08
C=CCCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212737	1	38	-2.0	-113.44	332.65	5.58	-107.86
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212738	1	37	-2.0	-114.78	343.05	4.33	-110.45
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212739	1	38	-2.0	-107.45	362.80	6.08	-101.37
CC#CCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212740	1	36	-2.0	-114.78	326.20	5.68	-109.10
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1=O	REAL300013212741	1	39	-2.0	-115.78	327.57	5.64	-110.14
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212742	1	38	-2.0	-121.29	316.02	6.78	-114.51
O=C([O-])[C@@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=CC=C1	REAL300013212743	1	38	-2.0	-121.31	334.48	6.33	-114.98
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212744	1	41	-2.0	-121.77	348.29	5.63	-116.14
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCCC1	REAL300013212745	1	41	-2.0	-115.72	334.74	7.93	-107.79
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212746	1	40	-2.0	-115.20	327.94	5.21	-109.99
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CC(CO)C1	REAL300013212747	1	39	-2.0	-122.25	331.76	2.13	-120.12
CCN(C(=O)[N-]C1=NC(C2CCC2)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013212748	1	47	-2.0	-121.19	382.35	10.42	-110.77
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212749	1	47	-2.0	-119.70	378.08	5.49	-114.21
CC1CCC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)(C(=O)[O-])C1	REAL300013212750	1	41	-2.0	-120.64	333.54	5.91	-114.73
CC1(C)CCCC1(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212751	1	44	-2.0	-123.43	342.21	6.50	-116.93
COCCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212752	1	38	-2.0	-111.70	332.01	3.31	-108.39
CC1(C)CC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)(C(=O)[O-])C1	REAL300013212753	1	41	-2.0	-121.60	335.90	6.56	-115.04
CC1CCC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)(C(=O)[O-])C2=CC=CC=C21	REAL300013212754	1	48	-2.0	-130.73	383.51	8.62	-122.11
CC1(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])CC1	REAL300013212755	1	38	-2.0	-117.43	321.95	5.62	-111.81
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212756	1	47	-2.0	-120.18	382.68	5.49	-114.69
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212757	1	36	-2.0	-128.77	310.99	2.78	-125.99
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212758	1	46	-2.0	-125.52	378.78	10.26	-115.26
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCOC1	REAL300013212759	1	39	-2.0	-110.81	328.45	3.29	-107.52
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212760	1	39	-2.0	-124.73	321.33	7.37	-117.36
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CNC2=CC=CC=C12	REAL300013212761	1	42	-2.0	-127.51	366.41	6.40	-121.11
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC(C3CCC3)=CS1)C2	REAL300013212762	1	37	-2.0	-120.50	312.80	5.00	-115.50
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013212763	1	41	-2.0	-127.32	327.23	8.47	-118.85
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212764	1	44	-2.0	-116.58	371.68	7.60	-108.98
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212765	1	45	-2.0	-116.53	371.04	7.39	-109.14
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCC1	REAL300013212766	1	38	-2.0	-116.06	318.10	5.21	-110.85
CC1(C)CC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)(C(=O)[O-])CC(C)(C)O1	REAL300013212767	1	51	-2.0	-119.53	391.76	6.95	-112.58
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCCCC1	REAL300013212768	1	44	-2.0	-118.26	352.08	6.46	-111.80
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCC1	REAL300013212769	1	38	-2.0	-116.06	318.10	5.21	-110.85
CC1CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1C(=O)[O-]	REAL300013212770	1	38	-2.0	-122.18	312.70	6.77	-115.41
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212771	1	45	-2.0	-118.71	371.73	5.45	-113.26
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212772	1	45	-2.0	-127.45	346.42	8.15	-119.30
CC1(C)CC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)(C(=O)[O-])CCO1	REAL300013212773	1	45	-2.0	-117.53	348.40	5.18	-112.35
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC(C3CCC3)=CS1)C2C(=O)[O-]	REAL300013212774	1	45	-2.0	-121.35	369.09	9.63	-111.72
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212775	1	45	-2.0	-116.53	371.04	7.39	-109.14
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212776	1	41	-2.0	-113.01	363.18	7.33	-105.68
COC1CC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)(C(=O)[O-])C1	REAL300013212777	1	39	-2.0	-116.40	331.23	3.71	-112.69
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CC(F)(F)C1	REAL300013212778	1	35	-2.0	-113.54	307.91	4.89	-108.65
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C3CCC3)=CS2)(C(=O)[O-])C1	REAL300013212779	1	39	-2.0	-122.51	331.50	4.12	-118.39
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1(C(F)(F)F)CC1	REAL300013212780	1	38	-2.0	-112.07	336.30	6.03	-106.04
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212781	1	41	-2.0	-123.32	329.42	8.02	-115.30
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212782	1	34	-2.0	-108.02	314.27	4.94	-103.08
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212783	1	42	-2.0	-114.46	352.16	4.27	-110.19
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212784	1	38	-2.0	-113.87	348.64	6.32	-107.55
COCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013212785	1	45	-2.0	-124.13	375.28	6.21	-117.92
CC(C)C(C)(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212786	1	40	-2.0	-117.12	317.40	5.16	-111.96
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212787	1	36	-2.0	-125.75	306.24	7.39	-118.36
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212788	1	39	-2.0	-125.37	322.17	7.03	-118.34
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212789	1	44	-2.0	-113.09	361.53	9.21	-103.88
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212790	1	47	-2.0	-116.75	378.43	7.52	-109.23
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212791	1	44	-2.0	-115.80	378.93	8.07	-107.73
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212792	1	44	-2.0	-115.72	379.75	8.04	-107.68
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CC2CCC1C2	REAL300013212793	1	45	-2.0	-119.01	360.15	7.11	-111.90
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212794	1	47	-2.0	-116.84	378.69	7.46	-109.38
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212795	1	47	-2.0	-116.62	377.83	7.47	-109.15
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212796	1	45	-2.0	-126.34	361.13	8.29	-118.05
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212797	1	45	-2.0	-125.94	357.73	8.00	-117.94
COC1=CC=C(CC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])C=C1	REAL300013212798	1	45	-2.0	-115.66	385.39	6.60	-109.06
C=CCSCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212799	1	39	-2.0	-114.47	356.32	6.05	-108.42
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])C=C1	REAL300013212800	1	42	-2.0	-110.71	377.55	7.67	-103.04
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212801	1	40	-2.0	-106.95	324.66	7.25	-99.70
COC1(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])CCC1	REAL300013212802	1	42	-2.0	-114.97	345.95	3.93	-111.04
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCC(C(F)F)CC1	REAL300013212803	1	44	-2.0	-116.55	360.27	7.21	-109.34
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCC2=CC=CC=C2C1	REAL300013212804	1	45	-2.0	-124.33	365.82	8.29	-116.04
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CC(C(F)F)C1	REAL300013212805	1	38	-2.0	-117.49	331.72	5.65	-111.84
O=C([O-])C1CC(NC(=O)NC2=NC(C3CCC3)=CS2)(C(=O)[O-])C1	REAL300013212806	0	38	-2.0	-115.60	331.59	6.66	-108.94
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)(C(=O)[O-])C1	REAL300013212806	1	37	-3.0	-193.39	326.99	5.33	-188.06
CC(C)(C)C1=CC=C(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])C=C1	REAL300013212807	1	50	-2.0	-121.31	410.73	8.66	-112.65
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])C=C1	REAL300013212808	1	47	-2.0	-121.10	394.51	8.34	-112.76
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212809	1	35	-2.0	-116.03	305.42	6.32	-109.71
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212810	1	37	-2.0	-123.32	314.78	7.09	-116.23
CC1(C)CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1C(=O)[O-]	REAL300013212811	1	41	-2.0	-125.11	335.13	6.93	-118.18
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C(=O)[O-])C=C1	REAL300013212812	1	45	-2.0	-118.63	385.85	6.55	-112.08
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212813	1	45	-2.0	-129.13	355.04	9.23	-119.90
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCC2=CC=CC=C21	REAL300013212814	1	45	-2.0	-118.64	376.50	8.20	-110.44
CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212815	1	45	-2.0	-121.91	376.93	7.28	-114.63
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212816	1	41	-2.0	-113.90	370.49	7.32	-106.58
CC(C)CCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212817	1	43	-2.0	-114.27	358.90	6.31	-107.96
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212818	1	42	-2.0	-126.50	346.25	7.80	-118.70
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212819	1	42	-2.0	-114.46	352.16	4.27	-110.19
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013212820	1	39	-2.0	-117.52	342.19	7.39	-110.13
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCCC2CC21	REAL300013212821	1	42	-2.0	-123.60	333.68	7.01	-116.59
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCC2CC21	REAL300013212822	1	39	-2.0	-121.45	321.98	5.88	-115.57
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CC2(CCC2)C1	REAL300013212823	1	42	-2.0	-121.60	342.09	6.47	-115.13
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC(C3CCC3)=CS1)CCCCC2	REAL300013212824	1	48	-2.0	-127.92	375.44	8.75	-119.17
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCCC1	REAL300013212825	1	41	-2.0	-117.08	334.56	5.78	-111.30
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212826	1	38	-2.0	-116.58	327.87	3.50	-113.08
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212827	1	38	-2.0	-119.98	312.46	5.39	-114.59
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212828	1	41	-2.0	-117.14	357.38	9.37	-107.77
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013212829	1	41	-2.0	-125.93	339.20	7.11	-118.82
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212830	1	42	-2.0	-118.53	360.09	9.57	-108.96
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212831	1	38	-2.0	-117.10	322.27	7.79	-109.31
O=C([O-])C1N(C(=O)[N-]C2=NC(C3CCC3)=CS2)CCC1(F)F	REAL300013212832	1	35	-2.0	-118.12	310.63	6.36	-111.76
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212833	1	41	-2.0	-113.01	363.18	7.33	-105.68
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212834	1	38	-2.0	-113.18	347.59	6.18	-107.00
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212835	1	38	-2.0	-115.17	328.53	6.99	-108.18
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CC2(CC(F)(F)C2)C1	REAL300013212836	1	42	-2.0	-119.88	361.29	6.91	-112.97
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212837	1	46	-2.0	-121.20	386.18	8.63	-112.57
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212838	1	38	-2.0	-113.18	347.59	6.18	-107.00
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212839	1	42	-2.0	-126.30	337.23	7.63	-118.67
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=CC=C(O)C=C1	REAL300013212840	1	39	-2.0	-118.30	345.53	3.47	-114.83
COCCCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212841	1	41	-2.0	-114.54	353.51	4.09	-110.45
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212842	1	40	-2.0	-106.70	332.91	7.36	-99.34
CCOCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212843	1	38	-2.0	-116.89	331.92	3.52	-113.37
CC(C)(C)CC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212844	1	43	-2.0	-115.38	349.17	6.66	-108.72
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CCCCO1	REAL300013212845	1	42	-2.0	-120.19	348.85	4.39	-115.80
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CC2=CC=CC=C2C1	REAL300013212846	1	42	-2.0	-123.94	353.84	7.54	-116.40
C[C@H]1OCCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)[C@@H]1C(=O)[O-]	REAL300013212847	1	39	-2.0	-121.97	322.10	5.79	-116.18
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212848	1	41	-2.0	-106.90	342.10	7.48	-99.42
N#CCCC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212849	1	35	-2.0	-107.97	318.95	4.82	-103.15
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCC2)=CS1)C12CC3CC(CC(C3)C1)C2	REAL300013212850	1	52	-2.0	-124.50	390.90	8.36	-116.14
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212851	1	44	-2.0	-119.15	386.68	7.51	-111.64
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212852	1	38	-2.0	-116.96	339.06	7.51	-109.45
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212853	1	49	-2.0	-126.90	372.49	8.32	-118.58
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013212854	1	40	-2.0	-111.90	368.51	5.89	-106.01
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013212855	1	42	-2.0	-123.48	354.07	6.18	-117.30
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3CCC3)C=N2)(C(=O)[O-])C1	REAL300013213109	0	41	-2.0	-130.77	342.86	8.20	-122.57
C=CCN(C(=O)[N-]C1=NC=C(C(C)C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013213159	1	47	-2.0	-111.83	396.07	10.92	-100.91
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300013213160	1	40	-2.0	-123.34	371.34	7.76	-115.58
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])S1	REAL300013213161	1	46	-2.0	-128.13	399.68	9.49	-118.64
CC(C)C1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013213162	1	46	-2.0	-123.84	378.05	7.55	-116.29
CC(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013213163	1	43	-2.0	-119.84	368.96	10.13	-109.71
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])C=C1	REAL300013213164	1	40	-2.0	-128.65	355.07	7.18	-121.47
CC(C)C1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013213165	1	33	-2.0	-114.08	313.41	5.12	-108.96
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300013213166	1	43	-2.0	-131.49	379.26	8.72	-122.77
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300013213167	1	38	-2.0	-121.32	324.93	6.21	-115.11
COCC(C)(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213168	1	37	-2.0	-125.79	320.11	3.96	-121.83
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C(C)C)S1	REAL300013213169	1	40	-2.0	-114.19	342.22	5.95	-108.24
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C(C)C)S1	REAL300013213170	1	46	-2.0	-118.46	383.87	10.14	-108.32
CC(C)C1=CN=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300013213171	1	36	-2.0	-111.56	337.40	7.60	-103.96
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013213172	1	43	-2.0	-125.02	350.80	6.63	-118.39
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013213173	1	38	-2.0	-125.17	344.92	3.56	-121.61
CC(C)C1=CN=C([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])S1	REAL300013213174	1	44	-2.0	-115.82	369.99	7.44	-108.38
CC(C)C1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)S1	REAL300013213175	1	44	-2.0	-129.53	373.14	10.70	-118.83
C=CCOCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213176	1	38	-2.0	-123.91	344.34	4.14	-119.77
CC(C)C1=CN=C([N-]C(=O)N2CCCC(O)C2C(=O)[O-])S1	REAL300013213177	1	38	-2.0	-140.05	321.12	4.43	-135.62
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013213178	1	41	-2.0	-124.11	341.65	4.22	-119.89
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300013213179	1	37	-2.0	-117.47	346.61	6.54	-110.93
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300013213180	1	37	-2.0	-118.24	356.50	6.99	-111.25
COC1CCN(C(=O)[N-]C2=NC=C(C(C)C)S2)C(C(=O)[O-])C1	REAL300013213181	1	41	-2.0	-134.67	342.80	6.78	-127.89
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)S1	REAL300013213182	1	41	-2.0	-120.74	342.19	4.16	-116.58
CC(C)C1=CN=C([N-]C(=O)N2CCC(C)CC2C(=O)[O-])S1	REAL300013213183	1	40	-2.0	-135.92	331.25	8.39	-127.53
CC1=CC(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])=CC=C1F	REAL300013213184	1	40	-2.0	-121.16	360.36	7.20	-113.96
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300013213185	1	42	-2.0	-126.83	369.79	6.26	-120.57
CC1=CC(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])=CC(C)=C1	REAL300013213186	1	43	-2.0	-130.83	376.68	7.75	-123.08
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])C=C1C	REAL300013213187	1	43	-2.0	-130.48	372.08	7.71	-122.77
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])C=C1O	REAL300013213188	1	42	-2.0	-126.00	374.13	3.55	-122.45
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])C=C1Cl	REAL300013213189	1	41	-2.0	-123.90	379.18	6.36	-117.54
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013213190	1	37	-2.0	-121.09	350.64	6.94	-114.15
CC(C)C1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013213191	1	35	-2.0	-127.75	310.40	7.81	-119.94
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013213192	1	40	-2.0	-128.10	327.23	6.52	-121.58
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300013213193	1	43	-2.0	-128.66	332.90	7.18	-121.48
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013213194	1	40	-2.0	-122.23	355.27	7.38	-114.85
CC(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013213195	1	40	-2.0	-120.21	356.76	9.47	-110.74
CC(C)C1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013213196	1	37	-2.0	-128.48	333.90	6.43	-122.05
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013213197	1	37	-2.0	-128.24	333.25	6.46	-121.78
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013213198	1	40	-2.0	-122.23	355.27	7.38	-114.85
CC(C)C1=CN=C([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300013213199	1	41	-2.0	-137.74	348.72	9.97	-127.77
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)S1	REAL300013213200	1	34	-2.0	-125.06	325.52	5.51	-119.55
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013213201	1	40	-2.0	-128.10	327.23	6.52	-121.58
CC(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)S1	REAL300013213202	1	40	-2.0	-114.57	373.49	9.99	-104.58
CC(C)C1=CN=C([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013213203	1	44	-2.0	-127.77	384.37	7.47	-120.30
COC1=CC(CN(CC(=O)[O-])C(=O)[N-]C2=NC=C(C(C)C)S2)=CC(OC)=C1	REAL300013213204	1	48	-2.0	-124.56	415.75	8.08	-116.48
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)S1	REAL300013213205	1	37	-2.0	-121.11	355.20	7.04	-114.07
CC(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300013213206	1	40	-2.0	-114.17	363.17	9.54	-104.63
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013213207	1	41	-2.0	-131.87	353.22	7.69	-124.18
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300013213208	1	37	-2.0	-126.69	344.50	6.64	-120.05
CC(C)C1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013213209	1	40	-2.0	-130.28	341.98	7.18	-123.10
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213210	1	48	-2.0	-124.50	387.86	7.77	-116.73
CC(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)S1	REAL300013213211	1	41	-2.0	-121.54	378.84	7.32	-114.22
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013213212	1	37	-2.0	-121.09	350.64	6.94	-114.15
CC(C)C1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013213213	1	43	-2.0	-127.36	338.65	8.24	-119.12
CC(C)C1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013213214	1	43	-2.0	-120.35	379.17	10.24	-110.11
CC(C)C1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013213215	1	40	-2.0	-121.68	342.86	8.30	-113.38
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C(C)C)S1	REAL300013213216	1	37	-2.0	-117.88	329.14	5.63	-112.25
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)S1	REAL300013213217	1	41	-2.0	-135.63	348.58	7.44	-128.19
CC(C)C1=CN=C([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013213218	1	44	-2.0	-128.68	390.05	7.30	-121.38
CC(C)C1=CN=C([N-]C(=O)N2CCCCCC2C(=O)[O-])S1	REAL300013213219	1	40	-2.0	-134.49	325.18	8.58	-125.91
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300013213220	1	38	-2.0	-127.47	344.68	3.64	-123.83
CC(C)C1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013213221	1	43	-2.0	-120.35	379.17	10.24	-110.11
CC(C)C1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013213222	1	43	-2.0	-127.36	338.65	8.24	-119.12
CC(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013213223	1	40	-2.0	-117.56	334.10	8.03	-109.53
CCCCCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213224	1	42	-2.0	-120.51	362.22	6.67	-113.84
CCC1CCC(NC(=O)[N-]C2=NC=C(C(C)C)S2)(C(=O)[O-])CC1	REAL300013213225	1	46	-2.0	-128.58	366.30	7.77	-120.81
CC(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013213226	1	41	-2.0	-117.80	342.54	6.36	-111.44
CC(C)C1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)S1	REAL300013213227	1	40	-2.0	-129.10	325.29	7.29	-121.81
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C(C)C)S1)C1CC1	REAL300013213228	1	40	-2.0	-115.17	332.30	8.20	-106.97
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)S1	REAL300013213229	1	37	-2.0	-128.70	345.79	6.86	-121.84
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)S1	REAL300013213230	1	37	-2.0	-133.05	338.30	6.52	-126.53
CC(C)C1=CN=C([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013213231	1	41	-2.0	-127.70	350.88	9.23	-118.47
CC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])=C1C	REAL300013213232	1	43	-2.0	-129.55	364.63	7.56	-121.99
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])C=C1F	REAL300013213233	1	41	-2.0	-124.10	369.62	5.79	-118.31
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C(C)C)S1)C1CC1	REAL300013213234	1	41	-2.0	-112.89	346.26	7.73	-105.16
CC(C)C1=CN=C([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)S1	REAL300013213235	1	40	-2.0	-109.84	331.58	7.53	-102.31
CCCN(C(=O)[N-]C1=NC=C(C(C)C)S1)C(COC)C(=O)[O-]	REAL300013213236	1	43	-2.0	-117.26	357.99	6.86	-110.40
CCCN(C(=O)[N-]C1=NC=C(C(C)C)S1)C(CC)C(=O)[O-]	REAL300013213237	1	42	-2.0	-112.37	345.50	8.16	-104.21
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300013213238	1	38	-2.0	-123.51	318.66	4.03	-119.48
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])C=C1	REAL300013213239	1	41	-2.0	-125.67	363.16	5.80	-119.87
CCC(COC)(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213240	1	40	-2.0	-127.83	336.78	4.86	-122.97
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)S1	REAL300013213241	1	40	-2.0	-122.20	343.70	2.51	-119.69
COCCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213242	1	37	-2.0	-118.12	331.16	3.48	-114.64
CC(C)C1=CN=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S1	REAL300013213243	1	33	-2.0	-114.61	310.07	4.63	-109.98
CCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013213244	1	43	-2.0	-125.12	375.39	8.58	-116.54
CCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013213245	1	43	-2.0	-131.73	358.69	8.06	-123.67
COC1CCCC(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])C1	REAL300013213246	1	47	-2.0	-127.47	383.25	5.63	-121.84
COC1(CC(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])CCC1	REAL300013213247	1	44	-2.0	-126.57	369.46	5.39	-121.18
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC=C(C(C)C)S2)=C1	REAL300013213248	1	44	-2.0	-123.46	372.94	7.71	-115.75
CC(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013213249	1	41	-2.0	-117.80	342.54	6.36	-111.44
CC(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)S1	REAL300013213250	1	43	-2.0	-119.18	351.48	8.74	-110.44
CC(C)C1=CN=C([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)S1	REAL300013213251	1	43	-2.0	-128.96	341.02	6.91	-122.05
COC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])=C1	REAL300013213252	1	41	-2.0	-130.24	363.40	5.72	-124.52
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)S1	REAL300013213253	1	37	-2.0	-127.63	348.94	6.92	-120.71
CC(C)C1=CN=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S1	REAL300013213254	1	36	-2.0	-117.46	308.45	4.82	-112.64
CC(C)C1=CN=C([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])S1	REAL300013213255	1	38	-2.0	-123.90	333.47	7.36	-116.54
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])=C1	REAL300013213256	1	41	-2.0	-130.04	362.75	5.76	-124.28
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C(C)C)S2)C1	REAL300013213257	1	43	-2.0	-130.37	365.03	8.37	-122.00
COC1=CC=CC(CC(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])=C1	REAL300013213258	1	44	-2.0	-124.87	385.36	6.74	-118.13
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)S1	REAL300013213259	1	46	-2.0	-130.21	355.16	7.40	-122.81
CC(C)C1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])S1	REAL300013213260	1	43	-2.0	-121.84	376.02	8.03	-113.81
CC(C)C1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300013213261	1	42	-2.0	-128.83	370.19	7.85	-120.98
COC1CN(C(=O)[N-]C2=NC=C(C(C)C)S2)C(C)(C(=O)[O-])C1	REAL300013213262	1	41	-2.0	-127.53	348.64	5.88	-121.65
CC(C)C1=CN=C([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])S1	REAL300013213263	1	44	-2.0	-122.97	364.89	5.87	-117.10
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213264	1	34	-2.0	-117.50	325.95	5.53	-111.97
CC(C)C1=CN=C([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)S1	REAL300013213265	1	38	-2.0	-133.25	318.22	7.69	-125.56
CC(C)C1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013213266	1	43	-2.0	-121.58	365.70	7.58	-114.00
CC(C)C1=CN=C([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300013213267	1	34	-2.0	-118.04	311.28	6.53	-111.51
CC(C)C1=CN=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013213268	1	34	-2.0	-123.05	304.79	6.46	-116.59
CC(C)C1=CN=C([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300013213269	1	44	-2.0	-121.23	368.35	5.19	-116.04
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013213270	1	41	-2.0	-124.11	341.65	4.22	-119.89
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013213271	1	37	-2.0	-128.24	333.25	6.46	-121.78
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300013213272	1	40	-2.0	-123.22	372.40	7.50	-115.72
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])S1	REAL300013213273	1	36	-2.0	-119.70	341.88	4.55	-115.15
CC(C)CCCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213274	1	45	-2.0	-120.90	379.54	7.25	-113.65
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])S1	REAL300013213275	1	43	-2.0	-125.36	385.78	7.83	-117.53
CC(C)C1=CN=C([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])S1	REAL300013213276	1	41	-2.0	-127.97	353.67	4.79	-123.18
CSCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213277	1	34	-2.0	-120.35	321.43	4.69	-115.66
CC(C)C1=CN=C([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013213278	1	40	-2.0	-117.88	362.32	7.50	-110.38
CCC(C)CC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213279	1	42	-2.0	-121.78	354.41	6.37	-115.41
C=CCCCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213280	1	40	-2.0	-120.39	353.53	6.45	-113.94
CC(C)C1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013213281	1	40	-2.0	-117.81	361.68	7.45	-110.36
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300013213282	1	43	-2.0	-122.78	375.17	8.83	-113.95
CC(C)C1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013213283	1	35	-2.0	-127.75	310.40	7.81	-119.94
CC(C)C1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013213284	1	40	-2.0	-130.28	341.98	7.18	-123.10
CC(C)C1=CN=C([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])S1	REAL300013213285	1	38	-2.0	-135.92	320.24	8.08	-127.84
CC(C)C1=CN=C([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013213286	1	42	-2.0	-120.86	355.60	7.95	-112.91
CC(C)C1=CN=C([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])S1	REAL300013213287	1	38	-2.0	-129.39	322.43	7.39	-122.00
CC(C)C1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013213288	1	37	-2.0	-128.48	333.90	6.43	-122.05
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300013213289	1	40	-2.0	-119.35	372.64	7.43	-111.92
CCC(C)CC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213292	1	42	-2.0	-121.78	354.41	6.37	-115.41
CC(C)C1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])S1	REAL300013213293	1	43	-2.0	-116.53	360.97	9.31	-107.22
CC(C)=CCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213294	1	40	-2.0	-121.95	349.85	6.31	-115.64
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013213295	1	39	-2.0	-119.25	351.27	5.60	-113.65
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C(C)C)S1	REAL300013213296	1	43	-2.0	-115.11	363.11	6.79	-108.32
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C(C)C)S1	REAL300013213297	1	42	-2.0	-114.73	350.01	8.07	-106.66
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)S1	REAL300013213298	1	36	-2.0	-131.47	330.27	4.85	-126.62
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C(C)C)S1	REAL300013213299	1	43	-2.0	-131.21	352.87	8.83	-122.38
CC(C)C1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013213300	1	43	-2.0	-116.64	361.52	9.44	-107.20
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013213303	1	39	-2.0	-119.25	351.27	5.60	-113.65
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)S1	REAL300013213304	1	36	-2.0	-124.49	328.79	4.64	-119.85
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C(C)C)S1	REAL300013213305	1	41	-2.0	-129.07	343.88	7.14	-121.93
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC=C(C(C)C)S1	REAL300013213306	0	41	-2.0	-132.55	352.27	10.36	-122.19
CC(C)C1=CN=C([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])S1	REAL300013213307	0	44	-2.0	-122.31	363.00	9.81	-112.50
CC(C)C1=CN=C([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])S1	REAL300013213308	1	42	-2.0	-119.89	373.18	6.39	-113.50
CC(C)C1=CN=C([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300013213309	1	36	-2.0	-121.70	342.43	4.43	-117.27
CC(C)C1=CN=C([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300013213310	1	37	-2.0	-113.62	361.36	6.19	-107.43
CC(C)C1=CN=C([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])S1	REAL300013213311	1	38	-2.0	-123.46	326.82	5.73	-117.73
CC(C)C1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013213312	1	37	-2.0	-128.23	333.25	6.46	-121.77
CC(C)C1=CN=C([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])S1	REAL300013213313	1	40	-2.0	-128.27	347.68	5.75	-122.52
CC(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013213314	1	40	-2.0	-117.56	334.10	8.03	-109.53
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)S1	REAL300013213315	1	38	-2.0	-130.17	331.13	2.30	-127.87
CCN(C(=O)[N-]C1=NC=C(C(C)C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013213316	1	46	-2.0	-127.92	381.57	10.56	-117.36
CC(C)C1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)S1	REAL300013213317	1	46	-2.0	-126.52	378.16	5.53	-120.99
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)S1	REAL300013213318	1	40	-2.0	-128.91	332.77	6.02	-122.89
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)S1	REAL300013213319	1	43	-2.0	-131.21	343.26	6.79	-124.42
COCCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213320	1	37	-2.0	-118.12	331.16	3.48	-114.64
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300013213321	1	40	-2.0	-129.52	335.28	6.72	-122.80
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)S1	REAL300013213322	1	47	-2.0	-137.92	382.75	8.76	-129.16
CC(C)C1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)S1	REAL300013213323	1	46	-2.0	-126.73	381.52	5.63	-121.10
CC(C)C1=CN=C([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])S1	REAL300013213324	1	45	-2.0	-128.68	378.08	10.34	-118.34
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOC2)S1	REAL300013213325	1	38	-2.0	-118.84	324.89	3.36	-115.48
CC(C)C1=CN=C([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])S1	REAL300013213326	1	38	-2.0	-132.61	320.70	7.53	-125.08
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300013213327	1	41	-2.0	-134.66	365.57	6.56	-128.10
CC(C)C1=CN=C([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)S1	REAL300013213328	1	36	-2.0	-128.53	312.17	5.15	-123.38
CC(C)C1=CN=C([N-]C(=O)N2CC(C)CCC2C(=O)[O-])S1	REAL300013213329	1	40	-2.0	-135.86	331.17	8.34	-127.52
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013213330	1	43	-2.0	-122.99	370.14	7.69	-115.30
CC(C)C1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013213331	1	44	-2.0	-123.65	370.41	7.49	-116.16
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)S1	REAL300013213332	1	50	-2.0	-126.69	391.14	7.09	-119.60
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013213333	1	43	-2.0	-125.02	350.80	6.63	-118.39
CC(C)C1=CN=C([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300013213334	1	44	-2.0	-124.96	369.96	6.09	-118.87
CC(C)C1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)S1	REAL300013213335	1	44	-2.0	-127.63	345.79	8.24	-119.39
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)S1	REAL300013213336	1	44	-2.0	-124.66	347.75	5.31	-119.35
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])S1	REAL300013213337	1	43	-2.0	-124.67	394.34	8.63	-116.04
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC=C(C(C)C)S1)C2C(=O)[O-]	REAL300013213338	1	44	-2.0	-128.61	368.46	9.72	-118.89
CC(C)C1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013213339	1	44	-2.0	-123.65	370.41	7.49	-116.16
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013213340	1	40	-2.0	-120.12	362.56	7.44	-112.68
COC1CC(NC(=O)[N-]C2=NC=C(C(C)C)S2)(C(=O)[O-])C1	REAL300013213341	1	38	-2.0	-124.19	330.43	3.88	-120.31
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)S1	REAL300013213342	1	34	-2.0	-120.95	307.28	5.04	-115.91
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(C(C)C)S2)(C(=O)[O-])C1	REAL300013213343	1	38	-2.0	-130.11	330.93	4.27	-125.84
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)S1	REAL300013213344	1	37	-2.0	-119.32	337.84	6.10	-113.22
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C(C)C)S1	REAL300013213345	1	40	-2.0	-130.66	328.81	8.16	-122.50
CC(C)C1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013213346	1	33	-2.0	-114.08	313.41	5.12	-108.96
CC(C)C1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013213347	1	41	-2.0	-121.30	351.53	4.36	-116.94
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])S1	REAL300013213348	1	37	-2.0	-120.47	348.11	6.42	-114.05
COCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013213349	1	44	-2.0	-131.43	374.67	6.34	-125.09
CC(C)C1=CN=C([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013213350	1	38	-2.0	-133.06	321.43	6.98	-126.08
CC(C)C1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013213351	1	43	-2.0	-116.64	361.52	9.44	-107.20
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])S1	REAL300013213352	1	44	-2.0	-123.78	394.52	6.98	-116.80
CC(C)C1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013213353	1	46	-2.0	-123.84	378.05	7.55	-116.29
CC(C)C1=CN=C([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013213354	1	43	-2.0	-122.55	379.13	8.14	-114.41
CC(C)C1=CN=C([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013213355	1	43	-2.0	-122.48	378.89	8.20	-114.28
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300013213356	1	44	-2.0	-126.59	360.44	7.18	-119.41
CC(C)C1=CN=C([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013213357	1	46	-2.0	-123.79	378.08	7.56	-116.23
CC(C)C1=CN=C([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013213358	1	46	-2.0	-123.86	378.06	7.55	-116.31
CC(C)C1=CN=C([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])S1	REAL300013213359	1	44	-2.0	-128.30	360.63	8.38	-119.92
CC(C)C1=CN=C([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])S1	REAL300013213360	1	44	-2.0	-133.94	357.14	8.10	-125.84
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)S1	REAL300013213361	1	44	-2.0	-128.54	398.02	7.05	-121.49
COC1=CC=C(CC(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])C=C1	REAL300013213362	1	44	-2.0	-122.32	385.59	6.68	-115.64
C=CCSCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213363	1	38	-2.0	-120.96	355.46	6.22	-114.74
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])S1	REAL300013213364	1	41	-2.0	-116.81	376.08	7.79	-109.02
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])S1	REAL300013213365	1	44	-2.0	-134.66	395.55	7.42	-127.24
COC1(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])CCC1	REAL300013213366	1	41	-2.0	-121.71	344.66	3.98	-117.73
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)S1	REAL300013213367	1	43	-2.0	-123.81	359.65	7.35	-116.46
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)S1	REAL300013213368	1	44	-2.0	-132.53	365.13	8.45	-124.08
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)S1	REAL300013213369	1	37	-2.0	-123.52	328.96	5.73	-117.79
CC(C)C1=CN=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013213370	0	37	-2.0	-127.51	330.98	6.81	-120.70
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013213370	1	36	-3.0	-202.05	326.36	5.49	-196.56
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300013213371	1	49	-2.0	-128.38	409.87	8.83	-119.55
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300013213372	1	46	-2.0	-128.19	393.89	8.43	-119.76
CC(C)C1=CN=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013213373	1	34	-2.0	-123.05	304.79	6.46	-116.59
CC(C)C1=CN=C([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])S1	REAL300013213374	1	36	-2.0	-123.79	313.59	7.27	-116.52
CC(C)C1=CN=C([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])S1	REAL300013213375	1	40	-2.0	-132.44	332.29	7.15	-125.29
CCOC1=CC=C(C(NC(=O)[N-]C2=NC=C(C(C)C)S2)C(=O)[O-])C=C1	REAL300013213376	1	44	-2.0	-125.52	384.99	6.72	-118.80
CC(C)C1=CN=C([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])S1	REAL300013213377	1	44	-2.0	-137.87	354.41	9.40	-128.47
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300013213378	1	44	-2.0	-125.68	375.88	8.30	-117.38
CC(C)C1=CN=C([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])S1	REAL300013213379	1	44	-2.0	-129.18	376.31	7.42	-121.76
CC(C)C1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])S1	REAL300013213380	1	40	-2.0	-121.05	370.11	7.35	-113.70
CC(C)CCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213381	1	42	-2.0	-121.03	358.29	6.41	-114.62
CC(C)C1=CN=C([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])S1	REAL300013213382	1	41	-2.0	-128.69	346.49	7.87	-120.82
CC(C)C1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013213383	1	41	-2.0	-121.30	351.53	4.36	-116.94
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C(C)C)S2)C1	REAL300013213384	1	38	-2.0	-125.08	341.61	7.54	-117.54
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)S1	REAL300013213385	1	41	-2.0	-131.23	333.06	7.16	-124.07
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)S1	REAL300013213386	1	38	-2.0	-129.73	320.22	6.25	-123.48
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300013213387	1	41	-2.0	-129.66	341.47	6.62	-123.04
CC(C)C1=CN=C([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300013213388	1	47	-2.0	-129.74	374.82	8.86	-120.88
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCC2)S1	REAL300013213389	1	40	-2.0	-124.22	333.93	5.88	-118.34
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213390	1	37	-2.0	-123.10	327.24	3.60	-119.50
CC(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013213391	1	40	-2.0	-120.21	356.76	9.47	-110.74
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300013213392	1	47	-2.0	-128.93	408.09	9.82	-119.11
CC(C)C1=CN=C([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])S1	REAL300013213393	1	40	-2.0	-127.33	338.57	7.21	-120.12
CC(C)C1=CN=C([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])S1	REAL300013213394	1	41	-2.0	-126.93	359.46	9.72	-117.21
CC(C)C1=CN=C([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])S1	REAL300013213395	1	37	-2.0	-125.97	321.65	7.96	-118.01
CC(C)C1=CN=C([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])S1	REAL300013213396	1	34	-2.0	-125.62	310.00	6.50	-119.12
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013213397	1	40	-2.0	-120.12	362.56	7.44	-112.68
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013213398	1	37	-2.0	-119.83	346.14	6.31	-113.52
CC(C)C1=CN=C([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])S1	REAL300013213399	1	37	-2.0	-117.35	327.51	7.03	-110.32
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)S1	REAL300013213400	1	41	-2.0	-127.68	360.66	7.06	-120.62
CC(C)C1=CN=C([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])S1	REAL300013213401	1	45	-2.0	-128.33	385.58	8.75	-119.58
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013213402	1	37	-2.0	-119.83	346.14	6.31	-113.52
CC(C)C1=CN=C([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013213403	1	41	-2.0	-134.16	336.61	7.76	-126.40
CC(C)C1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013213404	1	38	-2.0	-125.24	344.92	3.56	-121.68
COCCCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213405	1	40	-2.0	-121.08	352.65	4.25	-116.83
CCOCC(NC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013213406	1	37	-2.0	-123.30	331.30	3.61	-119.69
CC(C)C1=CN=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S1	REAL300013213407	1	42	-2.0	-122.00	348.30	6.82	-115.18
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)S1	REAL300013213408	1	41	-2.0	-125.87	348.96	4.91	-120.96
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300013213409	1	37	-2.0	-123.99	355.20	7.04	-116.95
CC(C)C1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013213410	1	41	-2.0	-131.87	353.22	7.69	-124.18
CC(C)C1=CN=C([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])S1	REAL300013213411	1	38	-2.0	-130.93	321.41	5.95	-124.98
CC(C)C1=CN=C([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])S1	REAL300013213412	1	40	-2.0	-113.10	341.01	7.54	-105.56
CC(C)C1=CN=C([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)S1	REAL300013213413	1	51	-2.0	-132.09	390.27	8.46	-123.63
CC(C)C1=CN=C([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])S1	REAL300013213414	1	43	-2.0	-124.93	380.62	7.75	-117.18
CC(C)C1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)S1	REAL300013213415	1	37	-2.0	-119.88	338.43	7.61	-112.27
CC(C)C1=CN=C([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])S1	REAL300013213416	1	48	-2.0	-136.80	372.86	8.29	-128.51
CC(C)C1=CN=C([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300013213417	1	39	-2.0	-117.79	367.65	6.05	-111.74
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C(C)C)S2)C1	REAL300013213418	1	41	-2.0	-131.16	353.45	6.31	-124.85
CC1=NC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300013213679	0	44	-2.0	-130.42	373.65	9.67	-120.75
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213718	1	53	-2.0	-124.40	419.43	9.51	-114.89
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213719	1	50	-2.0	-120.83	410.59	12.02	-108.81
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])C=C1	REAL300013213720	1	47	-2.0	-129.48	396.90	9.00	-120.48
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213721	1	40	-2.0	-114.73	355.04	7.02	-107.71
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCSCC1	REAL300013213722	1	45	-2.0	-121.99	366.56	8.10	-113.89
COCC(C)(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213723	1	44	-2.0	-126.57	361.73	5.86	-120.71
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213724	1	47	-2.0	-115.07	384.45	7.94	-107.13
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213725	1	46	-2.0	-117.63	375.30	9.42	-108.21
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CC1	REAL300013213726	1	41	-2.0	-119.81	344.66	8.70	-111.11
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213727	1	43	-2.0	-112.41	379.02	9.49	-102.92
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCOC1	REAL300013213728	1	42	-2.0	-122.69	344.99	4.71	-117.98
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCCCC1	REAL300013213729	1	50	-2.0	-126.15	393.09	8.45	-117.70
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=C(O)C=C1	REAL300013213730	1	45	-2.0	-125.84	386.28	5.53	-120.31
CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013213731	1	51	-2.0	-116.27	411.01	9.24	-107.03
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213732	1	51	-2.0	-130.89	414.76	12.60	-118.29
C=CCOCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213733	1	45	-2.0	-124.62	385.96	6.03	-118.59
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213734	1	45	-2.0	-141.23	359.72	7.10	-134.13
C=CC(C)C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213735	1	44	-2.0	-120.52	370.88	7.39	-113.13
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCOCC1	REAL300013213736	1	48	-2.0	-124.82	383.28	6.11	-118.71
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=C(F)C(F)=C1	REAL300013213737	1	44	-2.0	-118.02	387.59	8.47	-109.55
COC1CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(C(=O)[O-])C1	REAL300013213738	1	48	-2.0	-135.51	384.43	8.67	-126.84
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCCOC1	REAL300013213739	1	48	-2.0	-121.06	383.24	6.14	-114.92
CC1CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(C(=O)[O-])C1	REAL300013213740	1	47	-2.0	-136.81	372.88	10.28	-126.53
CC1=CC(C(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])=CC=C1F	REAL300013213741	1	47	-2.0	-121.86	402.23	9.01	-112.85
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])=C1	REAL300013213742	1	50	-2.0	-131.32	417.70	9.69	-121.63
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])C=C1C	REAL300013213743	1	50	-2.0	-131.39	413.95	9.52	-121.87
CC(C)C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213744	1	43	-2.0	-121.91	352.04	6.58	-115.33
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213745	1	44	-2.0	-136.19	351.96	9.66	-126.53
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=C(Cl)C=C1	REAL300013213746	1	44	-2.0	-121.83	392.21	8.84	-112.99
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213747	1	42	-2.0	-128.41	352.03	9.70	-118.71
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCCCC1	REAL300013213748	1	47	-2.0	-128.82	368.87	8.41	-120.41
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213749	1	41	-2.0	-129.43	339.96	8.26	-121.17
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCCC1	REAL300013213750	1	44	-2.0	-128.17	354.35	7.32	-120.85
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCCCCC1	REAL300013213751	1	50	-2.0	-129.46	374.51	9.08	-120.38
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213752	1	47	-2.0	-123.01	397.72	9.26	-113.75
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213753	1	47	-2.0	-121.21	398.39	11.36	-109.85
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=CC=C1	REAL300013213754	1	44	-2.0	-129.06	375.28	8.40	-120.66
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=CC=C1	REAL300013213755	1	44	-2.0	-128.84	374.88	8.35	-120.49
CCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213756	1	40	-2.0	-120.29	339.11	6.31	-113.98
CC(C)C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213757	1	43	-2.0	-121.91	352.04	6.58	-115.33
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213758	1	38	-2.0	-123.96	328.95	2.08	-121.88
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213759	1	38	-2.0	-123.96	328.95	2.08	-121.88
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213760	1	47	-2.0	-123.01	397.72	9.26	-113.75
CCC(C)C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213761	1	46	-2.0	-123.36	370.01	7.23	-116.13
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213762	1	44	-2.0	-136.19	351.96	9.66	-126.53
CCCC(C)(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213763	1	46	-2.0	-124.43	364.98	7.33	-117.10
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213764	1	43	-2.0	-119.32	349.62	8.70	-110.62
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CC1	REAL300013213765	1	41	-2.0	-119.81	344.66	8.70	-111.11
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213766	1	41	-2.0	-118.18	352.20	8.92	-109.26
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213767	1	46	-2.0	-117.63	375.30	9.42	-108.21
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213768	1	48	-2.0	-138.31	390.38	11.89	-126.42
CC(C)(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213769	1	40	-2.0	-101.93	330.09	5.63	-96.30
CC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)(C(=O)[O-])C1CC1	REAL300013213770	1	44	-2.0	-126.38	356.20	7.40	-118.98
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=CS1	REAL300013213771	1	41	-2.0	-125.69	366.52	7.44	-118.25
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCCCC1	REAL300013213772	1	47	-2.0	-128.82	368.87	8.41	-120.41
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213773	1	43	-2.0	-119.32	349.62	8.70	-110.62
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213774	1	43	-2.0	-117.96	360.89	9.11	-108.85
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213775	1	40	-2.0	-118.29	339.39	8.36	-109.93
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213776	1	38	-2.0	-123.93	328.95	2.08	-121.85
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213777	1	46	-2.0	-123.28	370.60	7.22	-116.06
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCCC1	REAL300013213778	1	44	-2.0	-128.17	354.35	7.32	-120.85
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213779	1	47	-2.0	-115.04	404.79	11.43	-103.61
CCC(C)(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213780	1	43	-2.0	-123.53	343.49	6.58	-116.95
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC2=CC=CC=C2C1	REAL300013213781	1	48	-2.0	-132.67	393.46	9.47	-123.20
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC(F)=CC=C1F	REAL300013213782	1	44	-2.0	-127.85	386.09	8.55	-119.30
CC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013213783	1	47	-2.0	-130.96	383.60	9.07	-121.89
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213784	1	40	-2.0	-118.29	339.39	8.36	-109.93
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213785	1	55	-2.0	-125.16	429.48	9.66	-115.50
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213786	1	42	-2.0	-131.13	351.19	4.86	-126.27
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1	REAL300013213787	1	38	-2.0	-127.86	323.68	6.39	-121.47
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=C(Cl)C=C1	REAL300013213788	1	44	-2.0	-121.83	392.21	8.84	-112.99
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213789	1	42	-2.0	-129.71	343.08	7.27	-122.44
CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013213790	1	50	-2.0	-128.23	380.27	10.14	-118.09
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CC1	REAL300013213791	1	41	-2.0	-123.40	345.73	6.74	-116.66
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213792	1	50	-2.0	-121.27	420.79	12.14	-109.13
CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013213793	1	47	-2.0	-122.31	387.91	10.78	-111.53
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213794	1	44	-2.0	-118.81	370.76	7.53	-111.28
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCC2=CC=CC=C21	REAL300013213795	1	48	-2.0	-136.30	390.20	9.34	-126.96
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213796	1	41	-2.0	-130.49	342.04	7.89	-122.60
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213797	1	44	-2.0	-136.31	351.88	9.74	-126.57
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213798	1	42	-2.0	-128.65	351.92	4.60	-124.05
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213799	1	40	-2.0	-111.78	331.43	7.54	-104.24
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213800	1	41	-2.0	-129.45	339.94	8.27	-121.18
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCC1	REAL300013213801	1	41	-2.0	-128.27	340.50	6.90	-121.37
C=CCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213802	1	41	-2.0	-120.51	352.62	6.70	-113.81
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213803	1	44	-2.0	-128.93	357.10	8.82	-120.11
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213804	1	47	-2.0	-135.24	366.80	10.47	-124.77
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CC1	REAL300013213805	1	41	-2.0	-123.40	345.73	6.74	-116.66
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213806	1	40	-2.0	-111.17	331.98	7.49	-103.68
CCCCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213807	1	46	-2.0	-121.23	382.34	7.79	-113.44
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=CC(O)=C1	REAL300013213808	1	45	-2.0	-128.32	386.55	5.45	-122.87
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213809	1	50	-2.0	-121.27	420.79	12.14	-109.13
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213810	1	44	-2.0	-128.87	357.02	8.81	-120.06
CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013213811	1	50	-2.0	-128.23	380.27	10.14	-118.09
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCCC1	REAL300013213812	1	47	-2.0	-118.66	376.70	10.01	-108.65
COCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213813	1	41	-2.0	-123.11	351.07	4.53	-118.58
CCCCCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213814	1	49	-2.0	-121.28	403.84	8.57	-112.71
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213815	1	46	-2.0	-122.86	368.51	7.37	-115.49
CCC1CCC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)(C(=O)[O-])CC1	REAL300013213816	1	53	-2.0	-129.37	407.92	9.66	-119.71
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCOCC1	REAL300013213817	1	48	-2.0	-118.77	384.17	8.26	-110.51
CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1(C(=O)[O-])CCCC1	REAL300013213818	1	47	-2.0	-132.75	368.26	9.50	-123.25
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CC1	REAL300013213819	1	44	-2.0	-113.27	350.42	8.57	-104.70
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CC1	REAL300013213820	1	47	-2.0	-115.85	373.94	10.09	-105.76
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=CC=C1Cl	REAL300013213821	1	44	-2.0	-128.71	387.04	8.81	-119.90
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=CC=C1F	REAL300013213822	1	44	-2.0	-133.20	379.96	8.42	-124.78
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213823	1	48	-2.0	-128.43	392.47	11.08	-117.35
CC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])=C1C	REAL300013213824	1	50	-2.0	-130.26	406.26	9.45	-120.81
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213825	1	43	-2.0	-117.96	360.89	9.11	-108.85
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CC1	REAL300013213826	1	48	-2.0	-113.58	387.88	9.63	-103.95
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCC1	REAL300013213827	1	47	-2.0	-122.18	372.14	10.60	-111.58
CCCN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(COC)C(=O)[O-]	REAL300013213828	1	50	-2.0	-117.71	399.00	8.66	-109.05
CCCN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(CC)C(=O)[O-]	REAL300013213829	1	49	-2.0	-114.05	387.16	9.98	-104.07
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213830	1	46	-2.0	-122.36	378.02	7.59	-114.77
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCOCC1	REAL300013213831	1	45	-2.0	-124.19	360.29	5.92	-118.27
C=CCCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213832	1	44	-2.0	-120.93	373.66	7.57	-113.36
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213833	1	37	-2.0	-104.63	321.14	5.26	-99.37
CCC(CC)(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213834	1	46	-2.0	-125.59	360.16	7.46	-118.13
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])C=C1	REAL300013213835	1	48	-2.0	-126.42	404.73	7.71	-118.71
CCC(COC)(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213836	1	47	-2.0	-128.58	378.40	6.76	-121.82
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213837	1	44	-2.0	-121.80	370.13	7.83	-113.97
COCCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213838	1	44	-2.0	-118.75	373.02	5.30	-113.45
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213839	1	40	-2.0	-115.17	351.46	6.60	-108.57
CCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013213840	1	50	-2.0	-132.50	400.21	9.92	-122.58
COC1CCCC(C(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])C1	REAL300013213841	1	54	-2.0	-128.25	424.88	7.53	-120.72
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213842	1	40	-2.0	-115.35	345.94	6.38	-108.97
COC1(CC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])CCC1	REAL300013213843	1	51	-2.0	-127.26	411.09	7.27	-119.99
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCOCC1	REAL300013213844	1	48	-2.0	-118.77	384.17	8.26	-110.51
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCCCC1	REAL300013213845	1	50	-2.0	-120.21	393.12	10.64	-109.57
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)(C(=O)[O-])CC1	REAL300013213846	1	50	-2.0	-129.73	382.68	8.79	-120.94
COC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])=C1	REAL300013213847	1	48	-2.0	-130.95	404.79	7.69	-123.26
CC(CCF)(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213848	1	43	-2.0	-118.17	350.08	6.71	-111.46
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC=C(C3CCCCC3)S1)OC=C2	REAL300013213849	1	45	-2.0	-124.44	375.10	9.25	-115.19
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])=C1	REAL300013213850	1	48	-2.0	-130.74	404.39	7.65	-123.09
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213851	1	40	-2.0	-111.68	331.43	7.54	-104.14
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013213852	1	50	-2.0	-131.26	406.65	10.26	-121.00
CC1(C)CCCC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)(C(=O)[O-])C1	REAL300013213853	1	53	-2.0	-131.08	396.79	9.29	-121.79
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213854	1	42	-2.0	-134.04	346.27	8.83	-125.21
COC1CN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(C)(C(=O)[O-])C1	REAL300013213855	1	48	-2.0	-130.06	388.84	7.86	-122.20
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213856	1	51	-2.0	-123.52	406.29	7.83	-115.69
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213857	1	46	-2.0	-122.86	368.51	7.37	-115.49
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213858	1	41	-2.0	-118.25	367.57	7.43	-110.82
C=C(C)CC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213859	1	44	-2.0	-120.59	372.48	7.55	-113.04
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213860	1	45	-2.0	-133.92	359.85	9.59	-124.33
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213861	1	42	-2.0	-128.39	351.96	4.60	-123.79
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213862	1	41	-2.0	-118.72	352.91	8.42	-110.30
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213863	1	41	-2.0	-123.77	346.41	8.36	-115.41
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013213864	1	42	-2.0	-130.54	353.15	8.71	-121.83
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213865	1	51	-2.0	-121.86	409.97	7.08	-114.78
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213866	1	46	-2.0	-122.36	378.02	7.59	-114.77
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCOCC1	REAL300013213867	1	48	-2.0	-124.82	383.28	6.11	-118.71
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=CC=C1	REAL300013213868	1	44	-2.0	-128.84	374.88	8.35	-120.49
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213869	1	44	-2.0	-121.80	370.13	7.83	-113.97
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213870	1	43	-2.0	-120.36	383.50	6.45	-113.91
CC(C)CCCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213871	1	52	-2.0	-121.72	421.41	9.09	-112.63
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213872	1	48	-2.0	-128.76	395.55	6.63	-122.13
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213873	1	41	-2.0	-125.11	347.49	3.14	-121.97
CSCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213874	1	41	-2.0	-121.10	363.05	6.59	-114.51
COC[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213875	1	41	-2.0	-123.01	350.71	4.48	-118.53
CC[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213876	1	40	-2.0	-120.37	339.34	6.24	-114.13
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213877	1	47	-2.0	-118.47	403.89	9.40	-109.07
CCC(C)CC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213878	1	49	-2.0	-122.58	396.28	8.20	-114.38
C=CCCCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213879	1	47	-2.0	-121.09	395.16	8.35	-112.74
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213880	1	47	-2.0	-118.58	404.14	9.32	-109.26
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213881	1	42	-2.0	-128.41	352.03	9.70	-118.71
CC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013213882	1	47	-2.0	-130.96	383.60	9.07	-121.89
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213883	1	41	-2.0	-130.49	342.04	7.89	-122.60
CCCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213884	1	43	-2.0	-120.86	360.60	7.07	-113.79
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213885	1	43	-2.0	-121.68	350.80	6.65	-115.03
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213886	1	45	-2.0	-136.87	362.67	9.91	-126.96
CCN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(C)(C)C(=O)[O-]	REAL300013213887	1	46	-2.0	-126.44	365.13	9.28	-117.16
CCCN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(C)C(=O)[O-]	REAL300013213888	1	46	-2.0	-112.51	370.11	9.12	-103.39
CCC[C@@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213889	1	43	-2.0	-120.96	360.84	7.01	-113.95
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213890	1	45	-2.0	-130.68	363.39	9.34	-121.34
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=CC=C1	REAL300013213891	1	44	-2.0	-129.06	375.28	8.40	-120.66
CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(C)(C)C(=O)[O-]	REAL300013213892	1	43	-2.0	-125.16	346.63	8.40	-116.76
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213893	1	41	-2.0	-129.45	339.94	8.27	-121.18
CCC(C)CC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213896	1	49	-2.0	-122.58	396.28	8.20	-114.38
C#CCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213897	1	39	-2.0	-120.15	345.37	6.72	-113.43
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213898	1	50	-2.0	-122.59	409.74	12.65	-109.94
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213899	1	40	-2.0	-111.17	331.98	7.49	-103.68
CC(C)=CCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213900	1	47	-2.0	-122.47	391.75	8.22	-114.25
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213901	1	46	-2.0	-119.90	392.90	7.49	-112.41
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213902	1	50	-2.0	-115.59	404.11	8.61	-106.98
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213903	1	49	-2.0	-115.32	392.20	10.10	-105.22
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=CC=N1	REAL300013213904	1	43	-2.0	-131.78	371.66	6.81	-124.97
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213905	1	50	-2.0	-131.91	394.56	10.63	-121.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213906	1	50	-2.0	-117.45	403.15	11.33	-106.12
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213909	1	46	-2.0	-119.90	392.90	7.49	-112.41
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=CN=C1	REAL300013213910	1	43	-2.0	-125.15	370.42	6.54	-118.61
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213911	1	48	-2.0	-129.98	385.96	9.05	-120.93
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213912	0	48	-2.0	-133.21	393.87	12.26	-120.95
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)[C@H]1C(=O)[O-]	REAL300013213913	0	51	-2.0	-123.05	404.60	11.70	-111.35
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213914	1	49	-2.0	-120.58	415.64	8.26	-112.32
C=CCCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213915	1	44	-2.0	-120.93	373.66	7.57	-113.36
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213916	1	43	-2.0	-122.40	384.31	6.26	-116.14
CC#CCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213917	1	42	-2.0	-122.21	367.44	7.61	-114.60
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1=O	REAL300013213918	1	45	-2.0	-124.30	368.46	7.63	-116.67
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213919	1	44	-2.0	-129.00	357.03	8.81	-120.19
CC(C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213920	1	43	-2.0	-121.87	352.04	6.58	-115.29
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=CC=C1	REAL300013213921	1	44	-2.0	-128.86	374.86	8.34	-120.52
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213922	1	47	-2.0	-129.13	389.30	7.66	-121.47
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213923	1	40	-2.0	-111.68	331.43	7.54	-104.14
CCC[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213924	1	43	-2.0	-120.96	360.84	7.01	-113.95
CCN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(C)C(=O)[O-]	REAL300013213925	1	43	-2.0	-112.39	348.63	8.28	-104.11
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCCC1	REAL300013213926	1	47	-2.0	-118.66	376.70	10.01	-108.65
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213927	1	46	-2.0	-123.28	370.60	7.22	-116.06
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213928	1	43	-2.0	-112.63	351.88	8.53	-104.10
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC(CO)C1	REAL300013213929	1	45	-2.0	-130.92	372.76	4.19	-126.73
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213930	1	53	-2.0	-127.09	419.80	7.43	-119.66
CC1CCC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)(C(=O)[O-])C1	REAL300013213931	1	47	-2.0	-129.62	374.39	7.92	-121.70
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213932	1	50	-2.0	-131.81	383.23	8.55	-123.26
COCCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213933	1	44	-2.0	-118.75	373.02	5.30	-113.45
CC1(C)CC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)(C(=O)[O-])C1	REAL300013213934	1	47	-2.0	-130.20	376.91	8.61	-121.59
CC1(C(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])CC1	REAL300013213935	1	44	-2.0	-124.47	368.13	7.33	-117.14
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213936	1	53	-2.0	-127.56	423.90	7.48	-120.08
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213937	1	42	-2.0	-136.89	351.99	4.77	-132.12
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCOC1	REAL300013213938	1	45	-2.0	-119.50	366.58	5.18	-114.32
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213939	1	45	-2.0	-133.35	362.33	9.41	-123.94
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CNC2=CC=CC=C12	REAL300013213940	1	48	-2.0	-135.89	407.63	8.38	-127.51
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(C3CCCCC3)S1)C2	REAL300013213941	1	43	-2.0	-129.46	354.87	6.91	-122.55
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013213942	1	47	-2.0	-136.80	372.79	10.23	-126.57
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213943	1	50	-2.0	-124.23	412.66	9.59	-114.64
CN(C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1(C(=O)[O-])CC1	REAL300013213944	1	41	-2.0	-124.92	346.98	8.12	-116.80
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213945	1	51	-2.0	-124.18	411.94	9.46	-114.72
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCC1	REAL300013213946	1	44	-2.0	-123.74	359.48	7.13	-116.61
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCCCC1	REAL300013213947	1	50	-2.0	-126.15	393.09	8.45	-117.70
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCC1	REAL300013213948	1	44	-2.0	-123.74	359.48	7.13	-116.61
CC1CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1C(=O)[O-]	REAL300013213949	1	44	-2.0	-132.55	362.65	8.47	-124.08
C=CCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213950	1	41	-2.0	-120.51	352.62	6.70	-113.81
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213951	1	51	-2.0	-126.78	413.56	7.42	-119.36
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213952	1	51	-2.0	-128.83	387.42	10.13	-118.70
CC1(C)CC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)(C(=O)[O-])CCO1	REAL300013213953	1	51	-2.0	-125.39	389.38	7.21	-118.18
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC=C(C3CCCCC3)S1)C2C(=O)[O-]	REAL300013213954	1	51	-2.0	-143.83	406.29	12.22	-131.61
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213955	1	51	-2.0	-124.18	411.94	9.46	-114.72
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213956	1	47	-2.0	-120.62	403.94	9.39	-111.23
COC1CC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)(C(=O)[O-])C1	REAL300013213957	1	45	-2.0	-128.34	373.82	5.86	-122.48
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC(F)(F)C1	REAL300013213958	1	41	-2.0	-121.57	348.90	6.94	-114.63
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)(C(=O)[O-])C1	REAL300013213959	1	45	-2.0	-124.85	372.08	5.77	-119.08
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1(C(F)(F)F)CC1	REAL300013213960	1	44	-2.0	-121.08	380.60	7.74	-113.34
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213961	1	47	-2.0	-131.32	370.33	10.02	-121.30
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213962	1	40	-2.0	-114.73	355.04	7.02	-107.71
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213963	1	48	-2.0	-121.53	394.39	6.44	-115.09
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)COC1	REAL300013213964	1	39	-2.0	-119.46	331.30	3.94	-115.52
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213965	1	44	-2.0	-121.29	389.41	8.38	-112.91
CC(C)C(C)(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213966	1	46	-2.0	-124.83	358.41	7.20	-117.63
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213967	1	42	-2.0	-135.07	347.27	9.44	-125.63
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213968	1	45	-2.0	-133.77	363.06	8.88	-124.89
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213969	1	50	-2.0	-117.45	403.15	11.33	-106.12
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213970	1	53	-2.0	-124.40	419.43	9.51	-114.89
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213971	1	50	-2.0	-123.27	420.75	10.03	-113.24
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213972	1	50	-2.0	-123.23	420.75	10.03	-113.20
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CC2CCC1C2	REAL300013213973	1	51	-2.0	-128.24	401.63	8.89	-119.35
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213974	1	53	-2.0	-124.39	419.45	9.53	-114.86
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213975	1	53	-2.0	-124.39	418.84	9.47	-114.92
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213976	1	51	-2.0	-129.17	402.14	10.29	-118.88
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213977	1	51	-2.0	-134.22	397.67	10.07	-124.15
C=CCSCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213978	1	45	-2.0	-121.83	397.32	8.04	-113.79
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])C=C1	REAL300013213979	1	48	-2.0	-117.53	417.71	9.68	-107.85
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213980	1	46	-2.0	-113.24	366.17	9.35	-103.89
COC1(C(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C(=O)[O-])CCC1	REAL300013213981	1	48	-2.0	-122.29	386.28	5.88	-116.41
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCC2=CC=CC=C2C1	REAL300013213982	1	51	-2.0	-133.29	406.76	10.34	-122.95
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC(C(F)F)C1	REAL300013213983	1	44	-2.0	-124.20	370.59	7.63	-116.57
O=C([O-])C1CC(NC(=O)NC2=NC=C(C3CCCCC3)S2)(C(=O)[O-])C1	REAL300013213984	0	44	-2.0	-121.15	371.23	8.58	-112.57
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)(C(=O)[O-])C1	REAL300013213984	1	43	-3.0	-203.16	367.98	7.38	-195.78
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213985	1	41	-2.0	-123.77	346.41	8.36	-115.41
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213986	1	43	-2.0	-125.58	355.78	9.10	-116.48
CC1(C)CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1C(=O)[O-]	REAL300013213987	1	47	-2.0	-133.17	373.91	9.04	-124.13
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213988	1	51	-2.0	-138.80	396.18	11.27	-127.53
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCC2=CC=CC=C21	REAL300013213989	1	51	-2.0	-126.36	417.50	10.20	-116.16
CC(C)CCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213990	1	49	-2.0	-121.64	399.67	8.37	-113.27
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213991	1	48	-2.0	-129.22	387.24	9.81	-119.41
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213992	1	48	-2.0	-121.53	394.39	6.44	-115.09
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013213993	1	45	-2.0	-126.12	384.20	9.25	-116.87
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213994	1	41	-2.0	-116.50	345.26	2.88	-113.62
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013213995	1	38	-2.0	-123.93	328.95	2.08	-121.85
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCCC2CC21	REAL300013213996	1	48	-2.0	-131.90	374.69	9.06	-122.84
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCC2CC21	REAL300013213997	1	45	-2.0	-129.54	362.99	7.92	-121.62
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC2(CCC2)C1	REAL300013213998	1	48	-2.0	-130.27	383.10	8.52	-121.75
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC=C(C3CCCCC3)S1)CCCCC2	REAL300013213999	1	54	-2.0	-130.90	416.45	10.76	-120.14
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCCC1	REAL300013214000	1	47	-2.0	-124.79	375.50	7.83	-116.96
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013214001	1	44	-2.0	-123.79	369.35	5.49	-118.30
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013214002	1	44	-2.0	-128.19	356.07	7.57	-120.62
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013214003	1	47	-2.0	-121.21	398.39	11.36	-109.85
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013214004	1	47	-2.0	-129.00	381.01	9.07	-119.93
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013214005	1	44	-2.0	-126.79	363.28	9.86	-116.93
O=C([O-])C1N(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCC1(F)F	REAL300013214006	1	41	-2.0	-126.28	351.62	8.39	-117.89
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013214007	1	47	-2.0	-120.62	403.94	9.39	-111.23
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013214008	1	44	-2.0	-120.85	388.61	8.20	-112.65
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013214009	1	44	-2.0	-118.04	369.12	8.93	-109.11
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC2(CC(F)(F)C2)C1	REAL300013214010	1	48	-2.0	-128.35	402.29	8.96	-119.39
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013214011	1	44	-2.0	-120.85	388.61	8.20	-112.65
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013214012	1	48	-2.0	-134.93	378.23	9.65	-125.28
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1=CC=C(O)C=C1	REAL300013214013	1	45	-2.0	-125.82	386.27	5.54	-120.28
COCCCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013214014	1	47	-2.0	-121.83	394.28	6.14	-115.69
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013214015	1	46	-2.0	-113.11	373.92	9.35	-103.76
CCOCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013214016	1	44	-2.0	-124.04	372.92	5.51	-118.53
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013214017	1	49	-2.0	-122.82	390.18	8.65	-114.17
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CCCCO1	REAL300013214018	1	48	-2.0	-127.10	388.08	6.40	-120.70
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC2=CC=CC=C2C1	REAL300013214019	1	48	-2.0	-132.67	393.46	9.47	-123.20
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)[C@@H]1C(=O)[O-]	REAL300013214020	1	45	-2.0	-131.73	363.03	7.84	-123.89
N#CCCC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013214021	1	41	-2.0	-114.33	360.20	6.74	-107.59
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013214022	1	44	-2.0	-120.78	380.07	9.50	-111.28
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013214023	1	40	-2.0	-111.78	331.43	7.54	-104.24
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013214024	1	48	-2.0	-131.87	395.07	8.21	-123.66
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214025	1	39	-2.0	-115.14	370.18	7.37	-107.77
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214026	1	45	-2.0	-115.73	376.66	7.23	-108.50
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214027	1	42	-2.0	-115.70	367.57	9.80	-105.90
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])C=C1	REAL300013214028	1	39	-2.0	-120.17	353.93	6.78	-113.39
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214029	1	32	-2.0	-106.98	312.27	4.73	-102.25
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC2=CC=CC=C2C=C1	REAL300013214030	1	42	-2.0	-122.82	378.45	8.38	-114.44
O=C([N-]C1=NC2=C(CSCC2)S1)NC1(C(=O)[O-])CCSCC1	REAL300013214031	1	37	-2.0	-113.02	323.55	5.82	-107.20
COCC(C)(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214032	1	36	-2.0	-117.77	318.72	3.60	-114.17
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214033	1	39	-2.0	-107.33	341.02	5.77	-101.56
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214034	1	38	-2.0	-113.79	332.54	7.42	-106.37
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214035	1	45	-2.0	-115.68	382.49	9.84	-105.84
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1CC1	REAL300013214036	1	33	-2.0	-111.26	301.64	6.48	-104.78
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214037	1	35	-2.0	-107.60	336.01	7.28	-100.32
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CCOC1	REAL300013214038	1	34	-2.0	-114.01	301.98	2.45	-111.56
O=C([N-]C1=NC2=C(CSCC2)S1)NC(C(=O)[O-])C1CCCCC1	REAL300013214039	1	42	-2.0	-115.36	352.16	6.45	-108.91
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=C(O)C=C1	REAL300013214040	1	37	-2.0	-116.94	343.29	3.32	-113.62
CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013214041	1	43	-2.0	-108.64	367.99	7.03	-101.61
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214042	1	43	-2.0	-127.47	371.75	10.38	-117.09
C=CCOCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214043	1	37	-2.0	-115.95	342.47	3.82	-112.13
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214044	1	37	-2.0	-129.71	319.70	4.10	-125.61
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214045	1	36	-2.0	-111.36	326.35	5.20	-106.16
O=C([N-]C1=NC2=C(CSCC2)S1)NC(C(=O)[O-])C1CCOCC1	REAL300013214046	1	40	-2.0	-114.09	346.36	4.07	-110.02
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=C(F)C(F)=C1	REAL300013214047	1	36	-2.0	-110.12	344.58	6.26	-103.86
COC1CCN(C(=O)[N-]C2=NC3=C(CSCC3)S2)C(C(=O)[O-])C1	REAL300013214048	1	40	-2.0	-124.73	341.43	6.39	-118.34
O=C([N-]C1=NC2=C(CSCC2)S1)NC(C(=O)[O-])C1CCCOC1	REAL300013214049	1	40	-2.0	-112.73	340.81	3.84	-108.89
CC1CCN(C(=O)[N-]C2=NC3=C(CSCC3)S2)C(C(=O)[O-])C1	REAL300013214050	1	39	-2.0	-125.77	329.88	7.99	-117.78
CC1=CC(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])=CC=C1F	REAL300013214051	1	39	-2.0	-112.96	359.21	6.79	-106.17
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=C2OCCC2=C1	REAL300013214052	1	41	-2.0	-118.27	368.41	5.93	-112.34
CC1=CC(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])=CC(C)=C1	REAL300013214053	1	42	-2.0	-122.24	374.69	7.46	-114.78
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])C=C1C	REAL300013214054	1	42	-2.0	-121.81	370.70	7.38	-114.43
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])C=C1O	REAL300013214055	1	41	-2.0	-117.72	372.75	3.23	-114.49
CC(C)C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214056	1	35	-2.0	-112.56	310.51	4.58	-107.98
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214057	1	36	-2.0	-125.21	308.78	7.42	-117.79
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=C(Cl)C=C1	REAL300013214058	1	36	-2.0	-112.95	349.25	6.62	-106.33
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214059	1	34	-2.0	-117.74	309.02	7.40	-110.34
O=C([N-]C1=NC2=C(CSCC2)S1)NC1(C(=O)[O-])CCCCC1	REAL300013214060	1	39	-2.0	-119.72	325.85	6.16	-113.56
O=C([O-])C1CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214061	1	33	-2.0	-120.41	296.91	6.02	-114.39
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CCCC1	REAL300013214062	1	36	-2.0	-118.78	311.34	5.05	-113.73
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CCCCCC1	REAL300013214063	1	42	-2.0	-119.95	331.50	6.80	-113.15
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214064	1	39	-2.0	-114.53	354.70	7.04	-107.49
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214065	1	39	-2.0	-115.55	355.38	9.15	-106.40
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=CC=C1	REAL300013214066	1	36	-2.0	-119.77	332.27	6.18	-113.59
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=CC=C1	REAL300013214067	1	36	-2.0	-120.11	332.25	6.18	-113.93
CCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214068	1	32	-2.0	-112.04	295.50	4.05	-107.99
CC(C)C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214069	1	35	-2.0	-112.56	310.51	4.58	-107.98
O=C([O-])C(CO)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214070	1	30	-2.0	-115.88	285.94	-0.13	-116.01
O=C([O-])C(CO)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214071	1	30	-2.0	-115.88	285.94	-0.13	-116.01
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214072	1	39	-2.0	-114.53	354.70	7.04	-107.49
CCC(C)C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214073	1	38	-2.0	-113.56	328.53	5.19	-108.37
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214074	1	36	-2.0	-125.21	308.78	7.42	-117.79
CCCC(C)(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214075	1	38	-2.0	-115.71	321.97	5.07	-110.64
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214076	1	35	-2.0	-110.87	306.61	6.48	-104.39
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1CC1	REAL300013214077	1	33	-2.0	-111.26	301.64	6.48	-104.78
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214078	1	33	-2.0	-112.79	309.19	6.70	-106.09
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214079	1	38	-2.0	-113.79	332.54	7.42	-106.37
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214080	1	40	-2.0	-126.96	346.97	9.51	-117.45
CC(C)(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214081	1	32	-2.0	-96.25	287.08	3.41	-92.84
CC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)(C(=O)[O-])C1CC1	REAL300013214082	1	36	-2.0	-117.33	313.20	5.14	-112.19
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=CS1	REAL300013214083	1	33	-2.0	-116.93	323.89	5.25	-111.68
O=C([N-]C1=NC2=C(CSCC2)S1)NC1(C(=O)[O-])CCCCC1	REAL300013214084	1	39	-2.0	-119.72	325.85	6.16	-113.56
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214085	1	39	-2.0	-105.86	366.07	9.38	-96.48
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214086	1	35	-2.0	-110.87	306.61	6.48	-104.39
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214087	1	35	-2.0	-112.69	317.88	6.90	-105.79
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214088	1	32	-2.0	-110.02	296.38	6.14	-103.88
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214089	1	30	-2.0	-115.86	285.94	-0.13	-115.99
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214090	1	38	-2.0	-114.59	327.58	5.00	-109.59
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CCCC1	REAL300013214091	1	36	-2.0	-118.78	311.34	5.05	-113.73
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214092	1	39	-2.0	-105.61	355.75	8.93	-96.68
CCC(C)(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214093	1	35	-2.0	-114.84	300.48	4.32	-110.52
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CC2=CC=CC=C2C1	REAL300013214094	1	40	-2.0	-123.10	352.05	7.31	-115.79
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC(F)=CC=C1F	REAL300013214095	1	36	-2.0	-118.26	343.12	6.32	-111.94
CC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013214096	1	39	-2.0	-121.94	340.60	6.81	-115.13
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214097	1	32	-2.0	-110.02	296.38	6.14	-103.88
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214098	1	47	-2.0	-116.45	386.47	7.41	-109.04
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214099	1	34	-2.0	-122.07	308.91	2.37	-119.70
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=C(Cl)C=C1	REAL300013214100	1	36	-2.0	-112.95	349.25	6.62	-106.33
O=C([O-])C1COCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214101	1	34	-2.0	-118.94	300.22	4.88	-114.06
CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013214102	1	42	-2.0	-118.85	337.26	7.90	-110.95
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1CC1	REAL300013214103	1	33	-2.0	-113.77	303.23	4.51	-109.26
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214104	1	42	-2.0	-115.50	377.79	9.92	-105.58
CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013214105	1	39	-2.0	-113.80	341.47	7.98	-105.82
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214106	1	36	-2.0	-113.91	327.76	5.32	-108.59
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CCC2=CC=CC=C21	REAL300013214107	1	40	-2.0	-127.09	347.21	7.10	-119.99
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214108	1	33	-2.0	-120.41	297.70	5.75	-114.66
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214109	1	36	-2.0	-125.28	308.91	7.44	-117.84
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214110	1	34	-2.0	-119.79	308.91	2.37	-117.42
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214111	1	32	-2.0	-103.55	288.97	5.28	-98.27
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214112	1	33	-2.0	-120.81	297.76	5.75	-115.06
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CCC1	REAL300013214113	1	33	-2.0	-118.53	297.46	4.63	-113.90
C=CCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214114	1	33	-2.0	-111.86	309.65	4.48	-107.38
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214115	1	36	-2.0	-119.82	314.07	6.54	-113.28
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214116	1	39	-2.0	-124.41	323.95	8.03	-116.38
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1CC1	REAL300013214117	1	33	-2.0	-113.77	303.23	4.51	-109.26
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214118	1	32	-2.0	-104.43	288.54	5.39	-99.04
CCCCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214119	1	38	-2.0	-112.67	338.50	5.60	-107.07
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=CC(O)=C1	REAL300013214120	1	37	-2.0	-120.02	343.49	3.24	-116.78
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214121	1	42	-2.0	-115.50	377.79	9.92	-105.58
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214122	1	36	-2.0	-120.24	314.07	6.55	-113.69
CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013214123	1	42	-2.0	-118.85	337.26	7.90	-110.95
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1CCCC1	REAL300013214124	1	39	-2.0	-113.95	332.72	7.70	-106.25
COCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214125	1	33	-2.0	-114.82	308.19	2.27	-112.55
CCCCCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214126	1	41	-2.0	-112.78	360.83	6.36	-106.42
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214127	1	38	-2.0	-114.97	327.13	5.14	-109.83
CCC1CCC(NC(=O)[N-]C2=NC3=C(CSCC3)S2)(C(=O)[O-])CC1	REAL300013214128	1	45	-2.0	-119.69	364.92	7.41	-112.28
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1CCOCC1	REAL300013214129	1	40	-2.0	-113.77	341.16	6.03	-107.74
CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1(C(=O)[O-])CCCC1	REAL300013214130	1	39	-2.0	-123.03	325.25	7.23	-115.80
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1CC1	REAL300013214131	1	36	-2.0	-105.30	307.42	6.36	-98.94
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1CC1	REAL300013214132	1	39	-2.0	-108.57	331.18	8.06	-100.51
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=CC=C1Cl	REAL300013214133	1	36	-2.0	-120.44	344.47	6.54	-113.90
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=CC=C1F	REAL300013214134	1	36	-2.0	-123.96	336.66	6.27	-117.69
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214135	1	40	-2.0	-119.58	349.41	8.90	-110.68
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])=C1C	REAL300013214136	1	42	-2.0	-121.01	361.54	7.14	-113.87
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])C=C1F	REAL300013214137	1	40	-2.0	-116.43	367.59	5.51	-110.92
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214138	1	35	-2.0	-112.69	317.88	6.90	-105.79
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1CC1	REAL300013214139	1	40	-2.0	-106.14	344.18	7.51	-98.63
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1CCC1	REAL300013214140	1	39	-2.0	-106.05	330.20	7.20	-98.85
CCCN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C(COC)C(=O)[O-]	REAL300013214141	1	42	-2.0	-117.30	360.45	7.67	-109.63
CCCN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C(CC)C(=O)[O-]	REAL300013214142	1	41	-2.0	-115.66	347.00	8.38	-107.28
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214143	1	38	-2.0	-113.82	334.99	5.37	-108.45
O=C([N-]C1=NC2=C(CSCC2)S1)NC1(C(=O)[O-])CCOCC1	REAL300013214144	1	37	-2.0	-115.11	317.28	3.66	-111.45
C=CCCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214145	1	36	-2.0	-112.58	330.65	5.36	-107.22
O=C([O-])C(CF)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214146	1	29	-2.0	-97.85	277.96	3.05	-94.80
CCC(CC)(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214147	1	38	-2.0	-116.25	316.86	5.21	-111.04
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])C=C1	REAL300013214148	1	40	-2.0	-117.39	362.02	5.39	-112.00
CCC(COC)(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214149	1	39	-2.0	-119.64	335.39	4.51	-115.13
O=C([N-]C1=NC2=C(CSCC2)S1)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300013214150	1	39	-2.0	-114.14	342.40	2.14	-112.00
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214151	1	36	-2.0	-113.53	327.95	5.59	-107.94
COCCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214152	1	36	-2.0	-110.68	330.01	3.10	-107.58
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214153	1	32	-2.0	-107.20	308.68	4.33	-102.87
CCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013214154	1	42	-2.0	-122.84	357.31	7.69	-115.15
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])C1	REAL300013214155	1	46	-2.0	-117.08	384.59	5.45	-111.63
O=C([O-])C(CCF)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214156	1	32	-2.0	-107.63	302.09	4.20	-103.43
COC1(CC(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])CCC1	REAL300013214157	1	43	-2.0	-116.91	366.74	5.41	-111.50
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC3=C(CSCC3)S2)=C1	REAL300013214158	1	43	-2.0	-117.30	374.37	7.87	-109.43
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1CCOCC1	REAL300013214159	1	40	-2.0	-113.77	341.16	6.03	-107.74
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1CCCCC1	REAL300013214160	1	42	-2.0	-115.23	350.13	8.42	-106.81
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(CSCC3)S2)(C(=O)[O-])CC1	REAL300013214161	1	42	-2.0	-120.01	339.65	6.54	-113.47
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])=C1	REAL300013214162	1	40	-2.0	-121.75	361.97	5.40	-116.35
CC(CCF)(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214163	1	35	-2.0	-109.54	307.06	4.46	-105.08
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC3=C(CSCC3)S1)OC=C2	REAL300013214164	1	37	-2.0	-115.79	332.09	7.05	-108.74
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])=C1	REAL300013214165	1	40	-2.0	-121.83	362.00	5.39	-116.44
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214166	1	32	-2.0	-104.38	288.41	5.33	-99.05
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CSCC3)S2)C1	REAL300013214167	1	42	-2.0	-120.76	363.64	7.98	-112.78
COC1=CC=CC(CC(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])=C1	REAL300013214168	1	43	-2.0	-117.45	384.22	6.36	-111.09
CC1(C)CCCC(NC(=O)[N-]C2=NC3=C(CSCC3)S2)(C(=O)[O-])C1	REAL300013214169	1	45	-2.0	-121.28	353.77	7.02	-114.26
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214170	1	34	-2.0	-123.96	303.26	6.55	-117.41
COC1CN(C(=O)[N-]C2=NC3=C(CSCC3)S2)C(C)(C(=O)[O-])C1	REAL300013214171	1	40	-2.0	-119.75	347.26	5.52	-114.23
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214172	1	43	-2.0	-115.17	363.51	5.54	-109.63
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214173	1	38	-2.0	-114.97	327.13	5.14	-109.83
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214174	1	33	-2.0	-109.96	324.77	5.11	-104.85
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214175	1	36	-2.0	-112.30	329.92	5.22	-107.08
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214176	1	37	-2.0	-123.76	316.83	7.29	-116.47
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214177	1	34	-2.0	-118.99	308.96	2.36	-116.63
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214178	1	42	-2.0	-113.88	364.31	7.22	-106.66
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214179	1	33	-2.0	-110.12	309.91	6.14	-103.98
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214180	1	33	-2.0	-115.13	303.40	6.08	-109.05
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CSCC3)S2)C1	REAL300013214181	1	34	-2.0	-121.30	310.16	6.45	-114.85
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214182	1	43	-2.0	-112.03	363.35	5.58	-106.45
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214183	1	38	-2.0	-113.82	334.99	5.37	-108.45
O=C([N-]C1=NC2=C(CSCC2)S1)NC(C(=O)[O-])C1CCOCC1	REAL300013214184	1	40	-2.0	-114.09	346.36	4.07	-110.02
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=CC=C1	REAL300013214185	1	36	-2.0	-120.11	332.25	6.18	-113.93
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214186	1	36	-2.0	-113.53	327.95	5.59	-107.94
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214187	1	35	-2.0	-112.47	341.32	4.20	-108.27
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214188	1	44	-2.0	-113.07	377.57	6.90	-106.17
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214189	1	40	-2.0	-119.38	352.53	4.40	-114.98
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214190	1	33	-2.0	-117.08	304.48	0.93	-116.15
CSCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214191	1	33	-2.0	-112.53	319.13	4.49	-108.04
COC[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214192	1	33	-2.0	-115.02	307.71	2.27	-112.75
CC[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214193	1	32	-2.0	-112.13	296.09	4.09	-108.04
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214194	1	39	-2.0	-110.07	360.94	7.18	-102.89
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214195	1	41	-2.0	-114.68	352.50	6.06	-108.62
C=CCCCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214196	1	39	-2.0	-112.58	352.15	6.15	-106.43
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214197	1	39	-2.0	-110.36	360.28	7.14	-103.22
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=CC2=CC=CC=C21	REAL300013214198	1	42	-2.0	-127.08	372.38	8.28	-118.80
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214199	1	34	-2.0	-117.74	309.02	7.40	-110.34
CC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013214200	1	39	-2.0	-121.94	340.60	6.81	-115.13
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214201	1	33	-2.0	-120.41	297.70	5.75	-114.66
CCCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214202	1	35	-2.0	-112.56	317.00	4.82	-107.74
CC(C)[C@@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214203	1	35	-2.0	-113.15	308.47	4.36	-108.79
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214204	1	37	-2.0	-126.20	319.74	7.70	-118.50
CCN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C(C)(C)C(=O)[O-]	REAL300013214205	1	38	-2.0	-117.38	322.11	7.01	-110.37
CCCN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C(C)C(=O)[O-]	REAL300013214206	1	38	-2.0	-108.01	329.44	7.10	-100.91
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214207	1	35	-2.0	-112.22	317.59	4.86	-107.36
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214208	1	41	-2.0	-113.67	354.22	7.63	-106.04
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214209	1	37	-2.0	-125.57	321.68	6.97	-118.60
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=CC=C1	REAL300013214210	1	36	-2.0	-119.77	332.27	6.18	-113.59
CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C(C)(C)C(=O)[O-]	REAL300013214211	1	35	-2.0	-116.18	303.62	6.15	-110.03
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214212	1	33	-2.0	-120.81	297.76	5.75	-115.06
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214215	1	41	-2.0	-114.68	352.50	6.06	-108.62
C#CCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214216	1	31	-2.0	-111.95	302.60	4.45	-107.50
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214217	1	42	-2.0	-111.55	359.58	8.98	-102.57
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214218	1	32	-2.0	-104.43	288.54	5.39	-99.04
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214219	1	39	-2.0	-113.63	348.04	5.95	-107.68
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214220	1	38	-2.0	-111.31	349.64	5.34	-105.97
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214221	1	42	-2.0	-108.08	361.29	6.52	-101.56
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214222	1	41	-2.0	-107.96	347.63	7.91	-100.05
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=CC=N1	REAL300013214223	1	35	-2.0	-122.73	328.64	4.59	-118.14
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214224	1	42	-2.0	-122.62	351.54	8.37	-114.25
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214225	1	42	-2.0	-111.33	360.58	9.16	-102.17
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214228	1	38	-2.0	-111.31	349.64	5.34	-105.97
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=CN=C1	REAL300013214229	1	35	-2.0	-116.37	327.16	4.39	-111.98
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214230	1	40	-2.0	-121.48	342.95	6.76	-114.72
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214231	0	40	-2.0	-123.90	350.89	9.99	-113.91
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC3=C(CSCC3)S2)[C@H]1C(=O)[O-]	REAL300013214232	0	43	-2.0	-117.76	361.58	9.48	-108.28
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214233	1	41	-2.0	-112.06	372.38	6.11	-105.95
C=CCCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214234	1	36	-2.0	-112.58	330.65	5.36	-107.22
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214235	1	35	-2.0	-113.46	341.04	4.10	-109.36
CC#CCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214236	1	34	-2.0	-113.68	323.60	5.42	-108.26
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CSCC3)S2)CC1=O	REAL300013214237	1	37	-2.0	-114.76	325.31	5.36	-109.40
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214238	1	36	-2.0	-119.83	314.02	6.53	-113.30
CC(C)[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214239	1	35	-2.0	-112.60	310.51	4.58	-108.02
O=C([O-])[C@@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=CC=C1	REAL300013214240	1	36	-2.0	-120.02	331.86	6.15	-113.87
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214241	1	39	-2.0	-117.57	341.95	5.35	-112.22
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214242	1	32	-2.0	-104.38	288.41	5.33	-99.05
CCC[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214243	1	35	-2.0	-112.55	317.00	4.82	-107.73
CCN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C(C)C(=O)[O-]	REAL300013214244	1	35	-2.0	-106.33	307.86	6.22	-100.11
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1CCCC1	REAL300013214245	1	39	-2.0	-113.95	332.72	7.70	-106.25
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214246	1	38	-2.0	-114.59	327.58	5.00	-109.59
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214247	1	35	-2.0	-104.70	309.42	6.35	-98.35
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CC(CO)C1	REAL300013214248	1	37	-2.0	-123.48	328.02	1.82	-121.66
CCN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013214249	1	45	-2.0	-119.62	380.33	10.20	-109.42
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214250	1	45	-2.0	-119.05	379.03	5.37	-113.68
CC1CCC(NC(=O)[N-]C2=NC3=C(CSCC3)S2)(C(=O)[O-])C1	REAL300013214251	1	39	-2.0	-119.30	331.52	5.69	-113.61
CC1(C)CCCC1(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214252	1	42	-2.0	-122.00	341.87	6.41	-115.59
COCCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214253	1	36	-2.0	-110.68	330.01	3.10	-107.58
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CSCC3)S2)(C(=O)[O-])C1	REAL300013214254	1	39	-2.0	-120.21	333.91	6.34	-113.87
CC1(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])CC1	REAL300013214255	1	36	-2.0	-116.08	319.94	5.39	-110.69
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214256	1	45	-2.0	-118.62	380.22	5.31	-113.31
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214257	1	34	-2.0	-127.45	308.98	2.55	-124.90
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1CCOC1	REAL300013214258	1	37	-2.0	-110.89	323.50	3.04	-107.85
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214259	1	37	-2.0	-123.81	319.03	7.14	-116.67
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CNC2=CC=CC=C12	REAL300013214260	1	40	-2.0	-125.75	364.02	6.18	-119.57
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC3=C(CSCC3)S1)C2	REAL300013214261	1	35	-2.0	-119.45	310.78	4.77	-114.68
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CSCC3)S2)C1	REAL300013214262	1	39	-2.0	-126.32	325.21	8.26	-118.06
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214263	1	42	-2.0	-115.02	369.91	7.38	-107.64
CN(C(=O)[N-]C1=NC2=C(CSCC2)S1)C1(C(=O)[O-])CC1	REAL300013214264	1	33	-2.0	-116.32	303.96	5.89	-110.43
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214265	1	43	-2.0	-115.35	368.19	7.18	-108.17
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1CCC1	REAL300013214266	1	36	-2.0	-114.70	316.47	4.91	-109.79
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CSCC3)S2)(C(=O)[O-])CC(C)(C)O1	REAL300013214267	1	49	-2.0	-118.50	389.75	6.73	-111.77
O=C([N-]C1=NC2=C(CSCC2)S1)NC(C(=O)[O-])C1CCCCC1	REAL300013214268	1	42	-2.0	-115.36	352.16	6.45	-108.91
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1CCC1	REAL300013214269	1	36	-2.0	-114.70	316.47	4.91	-109.79
CC1CCN(C(=O)[N-]C2=NC3=C(CSCC3)S2)C1C(=O)[O-]	REAL300013214270	1	36	-2.0	-122.51	314.55	6.16	-116.35
C=CCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214271	1	33	-2.0	-111.86	309.65	4.48	-107.38
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214272	1	43	-2.0	-116.70	368.57	5.75	-110.95
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214273	1	43	-2.0	-124.70	344.02	7.92	-116.78
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CSCC3)S2)(C(=O)[O-])CCO1	REAL300013214274	1	43	-2.0	-116.09	346.36	4.95	-111.14
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC3=C(CSCC3)S1)C2C(=O)[O-]	REAL300013214275	1	43	-2.0	-132.07	363.27	9.94	-122.13
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214276	1	43	-2.0	-115.35	368.19	7.18	-108.17
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214277	1	39	-2.0	-111.75	360.94	7.17	-104.58
COC1CC(NC(=O)[N-]C2=NC3=C(CSCC3)S2)(C(=O)[O-])C1	REAL300013214278	1	37	-2.0	-115.77	329.05	3.51	-112.26
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CC(F)(F)C1	REAL300013214279	1	33	-2.0	-112.84	306.06	4.66	-108.18
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(CSCC3)S2)(C(=O)[O-])C1	REAL300013214280	1	37	-2.0	-121.39	329.41	3.90	-117.49
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1(C(F)(F)F)CC1	REAL300013214281	1	36	-2.0	-111.19	336.46	5.79	-105.40
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214282	1	39	-2.0	-121.91	327.42	7.78	-114.13
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214283	1	32	-2.0	-106.98	312.27	4.73	-102.25
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214284	1	40	-2.0	-113.16	350.14	4.03	-109.13
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)COC1	REAL300013214285	1	31	-2.0	-110.89	288.28	1.67	-109.22
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214286	1	36	-2.0	-112.92	346.64	6.10	-106.82
COCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013214287	1	43	-2.0	-123.02	373.29	5.99	-117.03
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214288	1	38	-2.0	-116.29	317.21	5.00	-111.29
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214289	1	34	-2.0	-124.56	304.25	7.14	-117.42
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214290	1	37	-2.0	-124.09	320.37	6.83	-117.26
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214291	1	42	-2.0	-111.33	360.58	9.16	-102.17
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214292	1	45	-2.0	-115.73	376.66	7.23	-108.50
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214293	1	42	-2.0	-114.71	377.74	7.82	-106.89
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214294	1	42	-2.0	-114.43	377.50	7.88	-106.55
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1CC2CCC1C2	REAL300013214295	1	43	-2.0	-118.70	358.62	6.68	-112.02
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214296	1	45	-2.0	-115.31	376.44	7.32	-107.99
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214297	1	45	-2.0	-115.77	376.67	7.23	-108.54
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214298	1	43	-2.0	-124.16	359.26	8.04	-116.12
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214299	1	43	-2.0	-124.26	354.55	7.87	-116.39
COC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])C=C1	REAL300013214300	1	43	-2.0	-113.83	384.02	6.41	-107.42
C=CCSCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214301	1	37	-2.0	-113.05	353.41	5.94	-107.11
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])C=C1	REAL300013214302	1	40	-2.0	-109.32	375.58	7.45	-101.87
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214303	1	38	-2.0	-115.28	325.19	7.65	-107.63
COC1(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])CCC1	REAL300013214304	1	40	-2.0	-113.87	343.94	3.70	-110.17
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CCC(C(F)F)CC1	REAL300013214305	1	42	-2.0	-118.41	357.45	6.95	-111.46
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CCC2=CC=CC=C2C1	REAL300013214306	1	43	-2.0	-123.30	363.81	8.06	-115.24
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CC(C(F)F)C1	REAL300013214307	1	36	-2.0	-120.40	329.47	5.49	-114.91
O=C([O-])C1CC(NC(=O)NC2=NC3=C(CSCC3)S2)(C(=O)[O-])C1	REAL300013214308	0	36	-2.0	-115.58	329.61	6.42	-109.16
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CSCC3)S2)(C(=O)[O-])C1	REAL300013214308	1	35	-3.0	-195.59	326.34	5.24	-190.35
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])C=C1	REAL300013214309	1	45	-2.0	-119.70	392.74	8.04	-111.66
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214310	1	33	-2.0	-115.13	303.40	6.08	-109.05
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214311	1	35	-2.0	-120.38	312.21	6.94	-113.44
CC1(C)CCN(C(=O)[N-]C2=NC3=C(CSCC3)S2)C1C(=O)[O-]	REAL300013214312	1	39	-2.0	-123.28	330.90	6.80	-116.48
CCOC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CSCC3)S2)C(=O)[O-])C=C1	REAL300013214313	1	43	-2.0	-117.23	383.60	6.40	-110.83
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214314	1	43	-2.0	-128.52	354.57	9.09	-119.43
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1CCC2=CC=CC=C21	REAL300013214315	1	43	-2.0	-116.13	367.22	7.64	-108.49
CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214316	1	43	-2.0	-120.60	374.93	7.06	-113.54
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214317	1	39	-2.0	-113.08	368.48	7.10	-105.98
CC(C)CCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214318	1	41	-2.0	-113.13	356.07	6.11	-107.02
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214319	1	40	-2.0	-125.92	346.56	7.58	-118.34
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214320	1	40	-2.0	-113.16	350.14	4.03	-109.13
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CSCC3)S2)C1	REAL300013214321	1	37	-2.0	-116.94	341.19	7.00	-109.94
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214322	1	33	-2.0	-108.14	300.28	0.56	-107.58
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214323	1	30	-2.0	-115.86	285.94	-0.13	-115.99
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CCCC2CC21	REAL300013214324	1	40	-2.0	-122.54	331.69	6.78	-115.76
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CCC2CC21	REAL300013214325	1	37	-2.0	-121.25	318.83	5.88	-115.37
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CC2(CCC2)C1	REAL300013214326	1	40	-2.0	-120.30	340.09	6.26	-114.04
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC3=C(CSCC3)S1)CCCCC2	REAL300013214327	1	46	-2.0	-125.45	373.44	8.53	-116.92
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1CCCC1	REAL300013214328	1	39	-2.0	-115.75	332.56	5.56	-110.19
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214329	1	36	-2.0	-115.53	325.85	3.28	-112.25
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214330	1	36	-2.0	-119.93	315.48	5.45	-114.48
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214331	1	39	-2.0	-115.55	355.38	9.15	-106.40
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CSCC3)S2)C1	REAL300013214332	1	39	-2.0	-123.49	337.21	6.88	-116.61
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214333	1	36	-2.0	-116.19	320.34	7.50	-108.69
O=C([O-])C1N(C(=O)[N-]C2=NC3=C(CSCC3)S2)CCC1(F)F	REAL300013214334	1	33	-2.0	-117.28	308.61	6.14	-111.14
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214335	1	39	-2.0	-111.75	360.94	7.17	-104.58
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214336	1	36	-2.0	-112.12	345.60	5.99	-106.13
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214337	1	36	-2.0	-109.75	326.12	6.66	-103.09
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CC2(CC(F)(F)C2)C1	REAL300013214338	1	40	-2.0	-118.56	359.28	6.69	-111.87
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214339	1	36	-2.0	-112.12	345.60	5.99	-106.13
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214340	1	40	-2.0	-124.28	336.06	7.21	-117.07
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CSCC2)S1)C1=CC=C(O)C=C1	REAL300013214341	1	37	-2.0	-116.91	343.29	3.33	-113.58
COCCCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214342	1	39	-2.0	-113.37	350.68	3.89	-109.48
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214343	1	38	-2.0	-106.20	330.37	7.09	-99.11
CCOCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214344	1	36	-2.0	-115.65	330.05	3.25	-112.40
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214345	1	41	-2.0	-113.87	346.93	6.50	-107.37
O=C([N-]C1=NC2=C(CSCC2)S1)NC(C(=O)[O-])C1CCCCO1	REAL300013214346	1	40	-2.0	-118.10	347.57	4.59	-113.51
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CSCC3)S2)CC2=CC=CC=C2C1	REAL300013214347	1	40	-2.0	-123.10	352.05	7.31	-115.79
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(CSCC3)S2)[C@@H]1C(=O)[O-]	REAL300013214348	1	37	-2.0	-121.21	320.31	5.66	-115.55
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214349	1	39	-2.0	-105.64	340.09	7.25	-98.39
N#CCCC(NC(=O)[N-]C1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214350	1	33	-2.0	-106.95	316.36	4.55	-102.40
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214351	1	36	-2.0	-115.27	337.05	7.28	-107.99
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214352	1	47	-2.0	-125.80	370.48	8.10	-117.70
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214353	1	38	-2.0	-110.53	366.50	5.67	-104.86
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300013214354	1	32	-2.0	-103.55	288.97	5.28	-98.27
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CSCC3)S2)C1	REAL300013214355	1	40	-2.0	-122.50	352.06	5.95	-116.55
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300013214356	1	46	-2.0	-116.62	402.51	8.72	-107.90
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013214357	1	52	-2.0	-116.09	409.10	8.61	-107.48
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214358	1	49	-2.0	-116.65	400.81	11.15	-105.50
CC1=CC=C(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])C=C1	REAL300013214359	1	46	-2.0	-121.12	387.13	8.14	-112.98
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013214360	1	39	-2.0	-107.04	345.28	6.16	-100.88
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300013214361	1	49	-2.0	-123.37	411.44	9.80	-113.57
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300013214362	1	44	-2.0	-113.62	356.80	7.18	-106.44
COCC(C)(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214363	1	43	-2.0	-117.61	351.98	4.95	-112.66
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214364	1	46	-2.0	-107.86	374.70	7.08	-100.78
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214365	1	45	-2.0	-113.61	365.55	8.55	-105.06
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214366	1	52	-2.0	-113.61	411.01	11.16	-102.45
CC(C)(C)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013214367	1	40	-2.0	-111.50	334.87	7.84	-103.66
CC(C)(C)CC1=CSC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300013214368	1	42	-2.0	-108.49	369.27	8.63	-99.86
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013214369	1	41	-2.0	-114.42	335.24	3.81	-110.61
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013214370	1	49	-2.0	-115.82	385.42	7.81	-108.01
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013214371	1	44	-2.0	-117.43	376.52	4.67	-112.76
CN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(COC1CCC1)C(=O)[O-]	REAL300013214372	1	50	-2.0	-109.38	401.86	8.47	-100.91
CC(C)(C)CC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=N1	REAL300013214373	1	50	-2.0	-128.27	405.01	11.74	-116.53
C=CCOCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214374	1	44	-2.0	-116.47	376.21	5.17	-111.30
CC(C)(C)CC1=CSC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013214375	1	44	-2.0	-130.66	349.94	6.18	-124.48
C=CC(C)C(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214376	1	43	-2.0	-112.30	361.13	6.54	-105.76
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013214377	1	47	-2.0	-116.29	373.52	5.25	-111.04
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300013214378	1	43	-2.0	-110.35	378.48	7.57	-102.78
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300013214379	1	43	-2.0	-110.91	388.13	8.11	-102.80
COC1CCN(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(C(=O)[O-])C1	REAL300013214380	1	47	-2.0	-125.12	374.69	7.73	-117.39
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300013214381	1	47	-2.0	-112.78	373.46	5.28	-107.50
CC1CCN(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(C(=O)[O-])C1	REAL300013214382	1	46	-2.0	-126.46	356.39	9.11	-117.35
CC1=CC(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])=CC=C1F	REAL300013214383	1	46	-2.0	-113.48	392.46	8.15	-105.33
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300013214384	1	48	-2.0	-119.34	401.64	7.30	-112.04
CC1=CC(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])=CC(C)=C1	REAL300013214385	1	49	-2.0	-122.79	407.93	8.83	-113.96
CC1=CC=C(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])C=C1C	REAL300013214386	1	49	-2.0	-122.48	404.19	8.66	-113.82
COC1=CC=C(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])C=C1O	REAL300013214387	1	48	-2.0	-118.32	406.00	4.58	-113.74
CC(C)C(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214388	1	42	-2.0	-112.98	344.71	5.99	-106.99
CC(C)(C)CC1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013214389	1	43	-2.0	-125.53	342.04	8.78	-116.75
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013214390	1	43	-2.0	-113.75	382.45	7.98	-105.77
CC(C)(C)CC1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013214391	1	41	-2.0	-117.97	342.27	8.77	-109.20
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013214392	1	46	-2.0	-120.09	359.08	7.51	-112.58
CC(C)(C)CC1=CSC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013214393	1	40	-2.0	-120.78	330.20	7.36	-113.42
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013214394	1	43	-2.0	-120.27	344.05	6.37	-113.90
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300013214395	1	49	-2.0	-120.14	364.75	8.17	-111.97
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013214396	1	46	-2.0	-115.00	387.96	8.40	-106.60
CC(C)(C)CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013214397	1	46	-2.0	-116.53	388.61	10.50	-106.03
CC(C)(C)CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013214398	1	43	-2.0	-120.31	365.53	7.54	-112.77
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013214399	1	43	-2.0	-120.50	365.10	7.49	-113.01
CC(C)C(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214400	1	42	-2.0	-112.98	344.71	5.99	-106.99
CC(C)(C)CC1=CSC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013214401	1	37	-2.0	-116.01	319.20	1.22	-114.79
CC(C)(C)CC1=CSC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013214402	1	37	-2.0	-116.01	319.20	1.22	-114.79
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013214403	1	46	-2.0	-115.00	387.96	8.40	-106.60
CCC(C)C(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214404	1	45	-2.0	-114.57	359.53	6.42	-108.15
CC(C)(C)CC1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013214405	1	43	-2.0	-125.53	342.04	8.78	-116.75
CCCC(C)(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214406	1	45	-2.0	-116.09	355.23	6.43	-109.66
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214407	1	42	-2.0	-111.15	339.87	7.83	-103.32
CC(C)(C)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013214408	1	40	-2.0	-111.50	334.87	7.84	-103.66
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214409	1	40	-2.0	-113.83	342.45	8.06	-105.77
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214410	1	45	-2.0	-113.61	365.55	8.55	-105.06
CC(C)(C)CC1=CSC([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300013214411	1	47	-2.0	-127.31	380.24	10.86	-116.45
CC(C)(C)CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013214412	1	43	-2.0	-117.82	343.82	6.37	-111.45
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300013214413	1	40	-2.0	-117.42	357.15	6.62	-110.80
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013214414	1	46	-2.0	-120.09	359.08	7.51	-112.58
CC(C)(C)CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=N1	REAL300013214415	1	46	-2.0	-106.36	399.30	10.73	-95.63
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214416	1	42	-2.0	-111.15	339.87	7.83	-103.32
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214417	1	42	-2.0	-113.73	351.14	8.25	-105.48
CC(C)(C)CC1=CSC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013214418	1	37	-2.0	-116.41	319.19	1.22	-115.19
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214419	1	45	-2.0	-115.11	360.83	6.36	-108.75
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013214420	1	43	-2.0	-120.27	344.05	6.37	-113.90
CC(C)(C)CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300013214421	1	46	-2.0	-106.02	388.98	10.28	-95.74
CCC(C)(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214422	1	42	-2.0	-114.72	333.73	5.67	-109.05
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013214423	1	47	-2.0	-122.98	383.71	8.55	-114.43
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300013214424	1	43	-2.0	-119.36	375.80	7.64	-111.72
CC(C)(C)CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013214425	1	46	-2.0	-122.33	373.83	8.17	-114.16
CCCCCCC(C)(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214426	1	54	-2.0	-116.35	419.73	8.76	-107.59
CC(C)(C)CC1=CSC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013214427	1	41	-2.0	-121.57	341.46	3.97	-117.60
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013214428	1	43	-2.0	-113.75	382.45	7.98	-105.77
CC(C)(C)CC1=CSC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013214429	1	41	-2.0	-119.35	333.33	6.35	-113.00
CN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013214430	1	49	-2.0	-119.65	370.49	9.26	-110.39
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013214431	1	40	-2.0	-114.56	333.82	5.86	-108.70
CC(C)(C)CC1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013214432	1	49	-2.0	-116.58	411.04	11.28	-105.30
CN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013214433	1	46	-2.0	-113.67	375.45	9.39	-104.28
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214434	1	43	-2.0	-114.95	361.01	6.67	-108.28
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300013214435	1	47	-2.0	-127.17	380.43	8.43	-118.74
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013214436	1	40	-2.0	-120.76	330.95	7.12	-113.64
CC(C)(C)CC1=CSC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013214437	1	43	-2.0	-125.55	342.22	8.73	-116.82
CC(C)(C)CC1=CSC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013214438	1	41	-2.0	-119.81	341.42	3.98	-115.83
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013214439	1	40	-2.0	-120.82	330.18	7.36	-113.46
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013214440	1	40	-2.0	-118.83	330.75	5.99	-112.84
C=CCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214441	1	40	-2.0	-112.22	342.63	5.90	-106.32
CC(C)(C)CC1=CSC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013214442	1	43	-2.0	-120.58	347.33	7.91	-112.67
CC(C)(C)CC1=CSC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013214443	1	46	-2.0	-124.68	357.19	9.40	-115.28
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013214444	1	40	-2.0	-114.56	333.82	5.86	-108.70
CCCCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214445	1	45	-2.0	-112.92	372.59	6.94	-105.98
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300013214446	1	44	-2.0	-119.44	376.79	4.60	-114.84
CC(C)(C)CC1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013214447	1	49	-2.0	-116.58	411.04	11.28	-105.30
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013214448	1	43	-2.0	-120.60	347.26	7.91	-112.69
CN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013214449	1	49	-2.0	-119.65	370.49	9.26	-110.39
CC(C)(C)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013214450	1	46	-2.0	-113.97	366.94	9.14	-104.83
COCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214451	1	40	-2.0	-115.13	341.31	3.67	-111.46
CCCCCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214452	1	48	-2.0	-112.94	394.09	7.72	-105.22
CC(C)(C)CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013214453	1	45	-2.0	-115.53	360.39	6.50	-109.03
CCC1CCC(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)(C(=O)[O-])CC1	REAL300013214454	1	52	-2.0	-120.06	398.18	8.75	-111.31
CC(C)(C)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013214455	1	47	-2.0	-114.63	374.41	7.39	-107.24
CN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C1(C(=O)[O-])CCCC1	REAL300013214456	1	46	-2.0	-123.34	358.50	8.58	-114.76
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C1CC1	REAL300013214457	1	43	-2.0	-105.69	340.66	7.71	-97.98
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C1CC1	REAL300013214458	1	46	-2.0	-108.78	364.40	9.41	-99.37
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300013214459	1	43	-2.0	-120.93	377.73	7.89	-113.04
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300013214460	1	43	-2.0	-124.90	370.16	7.56	-117.34
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013214461	1	47	-2.0	-119.48	382.69	10.22	-109.26
CC1=CC=CC(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])=C1C	REAL300013214462	1	49	-2.0	-121.87	398.53	8.59	-113.28
COC1=CC=C(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])C=C1F	REAL300013214463	1	47	-2.0	-116.80	401.49	6.83	-109.97
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214464	1	42	-2.0	-113.73	351.14	8.25	-105.48
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C1CC1	REAL300013214465	1	47	-2.0	-106.28	378.11	8.77	-97.51
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C1CCC1	REAL300013214466	1	46	-2.0	-118.24	362.36	9.75	-108.49
CCCN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(COC)C(=O)[O-]	REAL300013214467	1	49	-2.0	-110.40	389.16	7.79	-102.61
CCCN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(CC)C(=O)[O-]	REAL300013214468	1	48	-2.0	-106.79	377.92	9.21	-97.58
CC(C)C[C@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214469	1	45	-2.0	-114.33	368.03	6.75	-107.58
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013214470	1	44	-2.0	-115.34	350.54	5.02	-110.32
C=CCCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214471	1	43	-2.0	-112.53	363.66	6.77	-105.76
CC(C)(C)CC1=CSC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013214472	1	36	-2.0	-98.27	311.38	4.39	-93.88
CCC(CC)(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214473	1	45	-2.0	-117.11	350.41	6.56	-110.55
COC1=CC=C(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])C=C1	REAL300013214474	1	47	-2.0	-117.87	395.03	6.84	-111.03
CCC(COC)(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214475	1	46	-2.0	-119.94	368.65	5.86	-114.08
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)=N1	REAL300013214476	1	46	-2.0	-114.29	375.57	3.50	-110.79
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013214477	1	43	-2.0	-113.30	361.46	6.88	-106.42
COCCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214478	1	43	-2.0	-110.78	363.02	4.51	-106.27
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013214479	1	39	-2.0	-107.23	341.94	5.68	-101.55
CCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013214480	1	49	-2.0	-123.20	390.54	9.04	-114.16
COC1CCCC(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])C1	REAL300013214481	1	53	-2.0	-119.75	415.79	6.59	-113.16
CC(C)(C)CC1=CSC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013214482	1	39	-2.0	-107.66	335.94	5.59	-102.07
COC1(CC(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])CCC1	REAL300013214483	1	50	-2.0	-117.52	399.69	6.81	-110.71
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)=C1	REAL300013214484	1	50	-2.0	-116.68	404.21	8.65	-108.03
CC(C)(C)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013214485	1	47	-2.0	-114.63	374.41	7.39	-107.24
CC(C)(C)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300013214486	1	49	-2.0	-115.39	383.37	9.76	-105.63
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)(C(=O)[O-])CC1	REAL300013214487	1	49	-2.0	-120.37	372.91	7.89	-112.48
COC1=CC=CC(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])=C1	REAL300013214488	1	47	-2.0	-122.01	395.27	6.75	-115.26
CC(C)(C)CC1=CSC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013214489	1	42	-2.0	-109.72	340.32	5.81	-103.91
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300013214490	1	44	-2.0	-116.16	365.33	8.39	-107.77
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])=C1	REAL300013214491	1	47	-2.0	-122.27	394.62	6.79	-115.48
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C1	REAL300013214492	1	49	-2.0	-120.90	396.95	9.35	-111.55
COC1=CC=CC(CC(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])=C1	REAL300013214493	1	50	-2.0	-117.87	417.23	7.77	-110.10
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300013214494	1	52	-2.0	-121.58	387.03	8.38	-113.20
CC(C)(C)CC1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013214495	1	41	-2.0	-124.35	336.54	7.92	-116.43
COC1CN(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(C)(C(=O)[O-])C1	REAL300013214496	1	47	-2.0	-120.09	380.51	6.88	-113.21
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300013214497	1	50	-2.0	-115.56	396.51	6.97	-108.59
CC(C)(C)CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013214498	1	45	-2.0	-115.53	360.39	6.50	-109.03
C=C(Cl)CC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214499	1	40	-2.0	-110.70	358.06	6.51	-104.19
C=C(C)CC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214500	1	43	-2.0	-112.33	362.49	6.76	-105.57
CC(C)(C)CC1=CSC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013214501	1	44	-2.0	-124.00	350.08	8.65	-115.35
CC(C)(C)CC1=CSC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013214502	1	41	-2.0	-119.68	342.23	3.71	-115.97
CC(C)(C)CC1=CSC([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013214503	1	49	-2.0	-114.13	397.56	8.57	-105.56
CC(C)(C)CC1=CSC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013214504	1	40	-2.0	-110.49	343.14	7.51	-102.98
CC(C)(C)CC1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013214505	1	40	-2.0	-115.55	336.66	7.46	-108.09
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C1	REAL300013214506	1	41	-2.0	-121.72	343.41	7.81	-113.91
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300013214507	1	50	-2.0	-113.90	400.22	6.22	-107.68
CC(C)C[C@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214508	1	45	-2.0	-114.33	368.03	6.75	-107.58
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013214509	1	47	-2.0	-116.29	373.52	5.25	-111.04
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013214510	1	43	-2.0	-120.50	365.10	7.49	-113.01
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013214511	1	43	-2.0	-113.30	361.46	6.88	-106.42
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])=N1	REAL300013214512	1	42	-2.0	-112.98	374.58	5.56	-107.42
CC(C)CCCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214513	1	51	-2.0	-113.38	411.65	8.23	-105.15
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300013214514	1	47	-2.0	-119.80	385.54	5.83	-113.97
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214515	1	40	-2.0	-112.47	335.86	2.49	-109.98
CSCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214516	1	40	-2.0	-112.90	353.29	5.74	-107.16
COC[C@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214517	1	40	-2.0	-115.47	340.96	3.62	-111.85
CC(C)(C)CC1=CSC([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013214518	1	46	-2.0	-110.50	394.36	8.46	-102.04
CCC(C)CC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214519	1	48	-2.0	-114.16	386.53	7.35	-106.81
C=CCCCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214520	1	46	-2.0	-112.79	385.40	7.50	-105.29
CC(C)(C)CC1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013214521	1	46	-2.0	-110.81	394.36	8.46	-102.35
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=N1	REAL300013214522	1	49	-2.0	-128.04	405.57	9.64	-118.40
CC(C)(C)CC1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013214523	1	41	-2.0	-117.97	342.27	8.77	-109.20
CC(C)(C)CC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013214524	1	46	-2.0	-122.33	373.83	8.17	-114.16
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013214525	1	40	-2.0	-120.76	330.95	7.12	-113.64
CCCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214526	1	42	-2.0	-112.68	351.09	6.16	-106.52
CC(C)[C@@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214527	1	42	-2.0	-112.98	344.71	5.99	-106.99
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013214528	1	44	-2.0	-126.62	352.90	9.01	-117.61
CCN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(C)(C)C(=O)[O-]	REAL300013214529	1	45	-2.0	-117.60	355.37	8.36	-109.24
CCCN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(C)C(=O)[O-]	REAL300013214530	1	45	-2.0	-107.67	360.87	8.36	-99.31
CCC[C@@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214531	1	42	-2.0	-112.61	350.85	6.21	-106.40
CC(C)(C)CC1=CSC([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013214532	1	48	-2.0	-113.96	387.47	8.98	-104.98
CC(C)(C)CC1=CSC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013214533	1	44	-2.0	-126.69	354.28	8.42	-118.27
CC(C)(C)CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013214534	1	43	-2.0	-120.31	365.53	7.54	-112.77
CN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(C)(C)C(=O)[O-]	REAL300013214535	1	42	-2.0	-116.47	336.87	7.51	-108.96
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013214536	1	40	-2.0	-120.82	330.18	7.36	-113.46
CCC(C)CC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214539	1	48	-2.0	-114.16	386.53	7.35	-106.81
C#CCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214540	1	38	-2.0	-112.04	335.62	5.86	-106.18
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214541	1	49	-2.0	-112.22	392.84	10.34	-101.88
CC(C)=CCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214542	1	46	-2.0	-114.34	382.24	7.29	-107.05
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013214543	1	45	-2.0	-111.70	382.89	6.69	-105.01
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214544	1	49	-2.0	-108.64	394.97	7.83	-100.81
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214545	1	48	-2.0	-107.80	382.44	9.23	-98.57
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1	REAL300013214546	1	42	-2.0	-123.72	361.88	5.95	-117.77
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214547	1	49	-2.0	-122.90	384.78	9.73	-113.17
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214548	1	49	-2.0	-112.11	392.76	10.34	-101.77
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013214551	1	45	-2.0	-111.70	382.89	6.69	-105.01
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300013214552	1	42	-2.0	-116.86	360.39	5.74	-111.12
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214553	1	47	-2.0	-121.66	376.19	8.11	-113.55
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214554	0	47	-2.0	-124.21	384.13	11.35	-112.86
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)[C@H]1C(=O)[O-]	REAL300013214555	0	50	-2.0	-118.61	394.87	10.84	-107.77
CC(C)(C)CC1=CSC([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013214556	1	48	-2.0	-112.87	405.88	7.41	-105.46
C=CCCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214557	1	43	-2.0	-112.53	363.66	6.77	-105.76
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300013214558	1	42	-2.0	-113.86	374.28	5.46	-108.40
CC(C)(C)CC1=CSC([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300013214559	1	43	-2.0	-106.88	393.80	7.27	-99.61
CC#CCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214560	1	41	-2.0	-113.86	357.45	6.82	-107.04
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)CC1=O	REAL300013214561	1	44	-2.0	-114.92	358.67	6.69	-108.23
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013214562	1	43	-2.0	-120.14	347.30	7.91	-112.23
CC(C)[C@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214563	1	42	-2.0	-114.07	346.61	5.96	-108.11
CC(C)(C)CC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013214564	1	43	-2.0	-120.55	365.12	7.50	-113.05
CC(C)(C)CC1=CSC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300013214565	1	46	-2.0	-121.14	379.53	6.75	-114.39
CCC[C@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214566	1	42	-2.0	-113.09	351.07	6.15	-106.94
CCN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(C)C(=O)[O-]	REAL300013214567	1	42	-2.0	-105.16	339.41	7.53	-97.63
CC(C)(C)CC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013214568	1	46	-2.0	-113.97	366.94	9.14	-104.83
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214569	1	45	-2.0	-115.11	360.83	6.36	-108.75
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214570	1	42	-2.0	-105.63	342.09	7.83	-97.80
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013214571	1	44	-2.0	-124.20	361.28	3.16	-121.04
CCN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013214572	1	52	-2.0	-119.96	413.58	11.55	-108.41
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214573	1	52	-2.0	-119.72	413.59	6.66	-113.06
CC1CCC(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)(C(=O)[O-])C1	REAL300013214574	1	46	-2.0	-120.26	364.62	7.00	-113.26
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300013214575	1	49	-2.0	-122.84	373.44	7.63	-115.21
COCCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214576	1	43	-2.0	-110.78	363.02	4.51	-106.27
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013214577	1	46	-2.0	-120.56	367.14	7.69	-112.87
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013214578	1	43	-2.0	-116.06	358.30	6.51	-109.55
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214579	1	52	-2.0	-119.16	414.12	6.62	-112.54
CC(C)(C)CC1=CSC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013214580	1	41	-2.0	-127.83	342.23	3.91	-123.92
CC(C)(C)CC1=CSC([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013214581	1	51	-2.0	-124.88	410.13	11.22	-113.66
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013214582	1	44	-2.0	-111.52	364.11	4.52	-107.00
CC(C)(C)CC1=CSC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013214583	1	44	-2.0	-124.37	352.33	8.46	-115.91
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=N1	REAL300013214584	1	47	-2.0	-126.67	397.67	7.53	-119.14
CC(C)(C)CC1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013214585	1	42	-2.0	-119.77	344.03	6.13	-113.64
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C1	REAL300013214586	1	46	-2.0	-126.16	363.09	9.32	-116.84
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214587	1	49	-2.0	-116.82	395.40	8.47	-108.35
CN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C1(C(=O)[O-])CC1	REAL300013214588	1	40	-2.0	-116.58	337.20	7.26	-109.32
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013214589	1	50	-2.0	-116.03	402.28	8.53	-107.50
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013214590	1	43	-2.0	-115.25	356.34	6.43	-108.82
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=N1	REAL300013214591	1	56	-2.0	-118.93	423.01	8.08	-110.85
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013214592	1	49	-2.0	-115.82	385.42	7.81	-108.01
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013214593	1	43	-2.0	-115.25	356.34	6.43	-108.82
CC1CCN(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C1C(=O)[O-]	REAL300013214594	1	43	-2.0	-123.21	352.88	7.61	-115.60
C=CCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214595	1	40	-2.0	-112.22	342.63	5.90	-106.32
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300013214596	1	50	-2.0	-117.22	401.83	7.13	-110.09
CC(C)(C)CC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300013214597	1	50	-2.0	-125.50	377.66	9.25	-116.25
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=N1	REAL300013214598	1	50	-2.0	-116.39	379.62	6.31	-110.08
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C2C(=O)[O-]	REAL300013214599	1	50	-2.0	-132.55	396.53	11.29	-121.26
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013214600	1	50	-2.0	-116.03	402.28	8.53	-107.50
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013214601	1	46	-2.0	-112.12	394.20	8.53	-103.59
COC1CC(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)(C(=O)[O-])C1	REAL300013214602	1	44	-2.0	-116.07	362.28	4.86	-111.21
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013214603	1	40	-2.0	-113.05	339.31	6.02	-107.03
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)(C(=O)[O-])C1	REAL300013214604	1	44	-2.0	-116.08	362.34	4.86	-111.22
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300013214605	1	43	-2.0	-113.68	370.82	6.88	-106.80
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214606	1	46	-2.0	-122.58	360.57	9.11	-113.47
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013214607	1	39	-2.0	-107.04	345.28	6.16	-100.88
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013214608	1	47	-2.0	-113.51	383.16	5.47	-108.04
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013214609	1	38	-2.0	-110.87	321.53	3.02	-107.85
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300013214610	1	43	-2.0	-113.30	379.65	7.52	-105.78
COCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013214611	1	50	-2.0	-123.44	406.74	7.37	-116.07
CC(C)C(C)(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214612	1	45	-2.0	-116.02	348.66	6.29	-109.73
CC(C)(C)CC1=CSC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013214613	1	41	-2.0	-124.89	337.50	8.51	-116.38
CC(C)(C)CC1=CSC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013214614	1	44	-2.0	-124.37	353.29	8.02	-116.35
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214615	1	49	-2.0	-112.11	392.76	10.34	-101.77
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013214616	1	52	-2.0	-116.09	409.10	8.61	-107.48
CC(C)(C)CC1=CSC([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013214617	1	49	-2.0	-115.26	410.99	9.17	-106.09
CC(C)(C)CC1=CSC([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013214618	1	49	-2.0	-114.86	410.75	9.24	-105.62
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300013214619	1	50	-2.0	-118.31	390.03	8.05	-110.26
CC(C)(C)CC1=CSC([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013214620	1	52	-2.0	-115.95	409.92	8.59	-107.36
CC(C)(C)CC1=CSC([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013214621	1	52	-2.0	-116.29	409.92	8.58	-107.71
CC(C)(C)CC1=CSC([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300013214622	1	50	-2.0	-125.02	392.48	9.41	-115.61
CC(C)(C)CC1=CSC([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300013214623	1	50	-2.0	-125.01	389.01	9.13	-115.88
COC1=CC=C(CC(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])C=C1	REAL300013214624	1	50	-2.0	-115.14	417.46	7.71	-107.43
C=CCSCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214625	1	44	-2.0	-113.53	387.33	7.26	-106.27
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=N1	REAL300013214626	1	47	-2.0	-109.94	407.95	8.82	-101.12
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214627	1	45	-2.0	-105.91	356.42	8.49	-97.42
COC1(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])CCC1	REAL300013214628	1	47	-2.0	-114.51	377.19	5.06	-109.45
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=N1	REAL300013214629	1	49	-2.0	-115.48	391.52	8.34	-107.14
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=N1	REAL300013214630	1	50	-2.0	-123.70	397.07	9.42	-114.28
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300013214631	1	43	-2.0	-119.07	362.55	6.81	-112.26
CC(C)(C)CC1=CSC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013214632	0	43	-2.0	-115.51	362.84	7.79	-107.72
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013214632	1	42	-3.0	-196.15	359.95	6.56	-189.59
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])C=C1	REAL300013214633	1	52	-2.0	-120.29	425.97	9.38	-110.91
CC(C)(C)CC1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013214634	1	40	-2.0	-115.55	336.66	7.46	-108.09
CC(C)(C)CC1=CSC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013214635	1	42	-2.0	-122.72	346.01	8.22	-114.50
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013214636	1	46	-2.0	-123.58	364.15	8.15	-115.43
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C(=O)[O-])C=C1	REAL300013214637	1	50	-2.0	-117.72	416.86	7.75	-109.97
CC(C)(C)CC1=CSC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300013214638	1	50	-2.0	-128.12	386.43	10.34	-117.78
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300013214639	1	50	-2.0	-117.76	407.75	9.34	-108.42
CC(C)(C)CC1=CSC([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013214640	1	50	-2.0	-121.37	408.18	8.41	-112.96
CC(C)(C)CC1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=N1	REAL300013214641	1	46	-2.0	-113.41	401.96	8.38	-105.03
CC(C)CCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214642	1	48	-2.0	-113.35	390.16	7.45	-105.90
CC(C)(C)CC1=CSC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300013214643	1	47	-2.0	-127.35	379.82	8.93	-118.42
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013214644	1	47	-2.0	-113.51	383.16	5.47	-108.04
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C1	REAL300013214645	1	44	-2.0	-117.32	374.45	8.36	-108.96
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214646	1	40	-2.0	-109.00	335.49	2.02	-106.98
CC(C)(C)CC1=CSC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013214647	1	37	-2.0	-116.41	319.19	1.22	-115.19
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300013214648	1	47	-2.0	-121.46	367.43	7.87	-113.59
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013214649	1	44	-2.0	-120.29	353.23	7.01	-113.28
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300013214650	1	47	-2.0	-120.60	373.34	7.61	-112.99
CC(C)(C)CC1=CSC([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=N1	REAL300013214651	1	53	-2.0	-125.61	406.64	9.91	-115.70
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013214652	1	46	-2.0	-116.15	365.75	6.97	-109.18
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214653	1	43	-2.0	-116.09	359.09	4.63	-111.46
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214654	1	43	-2.0	-118.98	343.74	6.52	-112.46
CC(C)(C)CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013214655	1	46	-2.0	-116.53	388.61	10.50	-106.03
CC(C)(C)CC1=CSC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013214656	1	46	-2.0	-124.91	371.24	8.20	-116.71
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300013214657	1	43	-2.0	-116.38	353.59	8.84	-107.54
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013214658	1	40	-2.0	-117.61	341.87	7.50	-110.11
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013214659	1	46	-2.0	-112.12	394.20	8.53	-103.59
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013214660	1	43	-2.0	-112.60	378.00	7.34	-105.26
CC(C)(C)CC1=CSC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300013214661	1	43	-2.0	-113.99	359.75	8.12	-105.87
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=N1	REAL300013214662	1	47	-2.0	-118.81	392.52	8.04	-110.77
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013214663	1	43	-2.0	-112.60	378.00	7.34	-105.26
CC(C)(C)CC1=CSC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013214664	1	47	-2.0	-125.31	368.48	8.76	-116.55
CC(C)(C)CC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013214665	1	44	-2.0	-117.39	376.52	4.68	-112.71
COCCCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214666	1	46	-2.0	-113.68	384.76	5.23	-108.45
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300013214667	1	45	-2.0	-105.73	364.17	8.49	-97.24
CCOCC(NC(=O)[N-]C1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214668	1	43	-2.0	-115.90	363.17	4.65	-111.25
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300013214669	1	48	-2.0	-114.31	380.43	7.80	-106.51
CC(C)(C)CC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300013214670	1	47	-2.0	-119.68	380.09	5.53	-114.15
CC(C)(C)CC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013214671	1	47	-2.0	-122.98	383.71	8.55	-114.43
C[C@H]1OCCN(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)[C@@H]1C(=O)[O-]	REAL300013214672	1	44	-2.0	-121.42	353.30	6.91	-114.51
CC(C)(C)CC1=CSC([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=N1	REAL300013214673	1	46	-2.0	-105.91	372.88	8.58	-97.33
CC(C)(C)CC1=CSC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013214674	1	40	-2.0	-106.78	350.20	5.95	-100.83
CC(C)(C)CC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1	REAL300013214675	1	43	-2.0	-113.77	370.27	8.64	-105.13
CC(C)(C)CC1=CSC([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=N1	REAL300013214676	1	54	-2.0	-127.30	404.74	9.25	-118.05
CC(C)(C)CC1=CSC([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300013214677	1	45	-2.0	-110.89	399.52	7.09	-103.80
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C1	REAL300013214678	1	47	-2.0	-122.88	385.31	7.31	-115.57
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])=N2	REAL300013214679	1	53	-2.0	-127.89	413.53	8.90	-118.99
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214680	1	50	-2.0	-124.03	404.69	11.40	-112.63
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])C=C1	REAL300013214681	1	47	-2.0	-133.05	391.04	8.38	-124.67
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2	REAL300013214682	1	40	-2.0	-117.82	348.55	6.37	-111.45
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCSCC1)=N2	REAL300013214683	1	45	-2.0	-125.32	360.71	7.49	-117.83
COCC(C)(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214684	1	44	-2.0	-129.66	355.83	5.25	-124.41
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214685	1	47	-2.0	-117.42	377.63	7.26	-110.16
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214686	1	46	-2.0	-122.38	369.65	9.03	-113.35
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013214687	1	41	-2.0	-123.04	338.75	8.09	-114.95
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N2	REAL300013214688	1	43	-2.0	-115.40	373.13	8.89	-106.51
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOC1)=N2	REAL300013214689	1	42	-2.0	-125.87	339.10	4.12	-121.75
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)=N2	REAL300013214690	1	50	-2.0	-127.35	389.27	8.06	-119.29
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(O)C=C1)=N2	REAL300013214691	1	45	-2.0	-129.32	380.40	4.93	-124.39
CN(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013214692	1	51	-2.0	-119.54	405.71	8.73	-110.81
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)=N2	REAL300013214693	1	51	-2.0	-134.72	408.82	11.97	-122.75
C=CCOCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214694	1	45	-2.0	-127.30	380.06	5.43	-121.87
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)C1C(=O)[O-])=N2	REAL300013214695	1	45	-2.0	-144.33	356.89	5.72	-138.61
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214696	1	44	-2.0	-123.38	363.47	6.80	-116.58
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)=N2	REAL300013214697	1	48	-2.0	-128.54	377.94	5.44	-123.10
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)=N2	REAL300013214698	1	44	-2.0	-121.35	382.29	7.84	-113.51
COC1CCN(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(C(=O)[O-])C1	REAL300013214699	1	48	-2.0	-138.80	378.54	8.06	-130.74
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCOC1)=N2	REAL300013214700	1	48	-2.0	-124.89	377.92	5.46	-119.43
CC1CCN(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(C(=O)[O-])C1	REAL300013214701	1	47	-2.0	-140.75	360.17	9.49	-131.26
CC1=CC(C(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])=CC=C1F	REAL300013214702	1	47	-2.0	-125.00	396.33	8.40	-116.60
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])=C1	REAL300013214703	1	50	-2.0	-135.03	412.40	9.04	-125.99
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])C=C1C	REAL300013214704	1	50	-2.0	-134.84	407.80	9.00	-125.84
CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214705	1	43	-2.0	-124.66	344.57	5.96	-118.70
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013214706	1	44	-2.0	-139.59	346.09	9.05	-130.54
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)=N2	REAL300013214707	1	44	-2.0	-125.22	386.12	8.31	-116.91
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013214708	1	42	-2.0	-131.78	346.13	9.08	-122.70
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013214709	1	47	-2.0	-132.20	362.96	7.81	-124.39
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCCC1C(=O)[O-])=N2	REAL300013214710	1	41	-2.0	-132.73	334.11	7.65	-125.08
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013214711	1	44	-2.0	-131.69	348.45	6.71	-124.98
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCCC1)=N2	REAL300013214712	1	50	-2.0	-132.82	368.62	8.47	-124.35
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])=N2	REAL300013214713	1	47	-2.0	-126.15	390.99	8.67	-117.48
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)=N2	REAL300013214714	1	47	-2.0	-124.40	392.49	10.75	-113.65
CC1(C)CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013214715	1	44	-2.0	-132.75	369.68	7.71	-125.04
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013214716	1	44	-2.0	-132.60	369.60	7.71	-124.89
CCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214717	1	40	-2.0	-123.48	332.62	5.66	-117.82
CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214718	1	43	-2.0	-124.66	344.57	5.96	-118.70
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013214719	1	38	-2.0	-127.08	322.57	1.47	-125.61
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013214720	1	38	-2.0	-127.08	322.57	1.47	-125.61
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])=N2	REAL300013214721	1	47	-2.0	-126.15	390.99	8.67	-117.48
CCC(C)C(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214722	1	46	-2.0	-126.76	368.43	6.84	-119.92
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013214723	1	44	-2.0	-139.59	346.09	9.05	-130.54
CCCC(C)(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214724	1	46	-2.0	-127.68	359.08	6.72	-120.96
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214725	1	43	-2.0	-122.62	343.72	8.08	-114.54
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013214726	1	41	-2.0	-123.04	338.75	8.09	-114.95
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214727	1	41	-2.0	-121.33	346.30	8.31	-113.02
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214728	1	46	-2.0	-122.38	369.65	9.03	-113.35
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CC3=CC=CC=C3CC1C(=O)[O-])=N2	REAL300013214729	1	48	-2.0	-141.68	384.09	11.13	-130.55
CC(C)(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214730	1	40	-2.0	-104.70	324.19	5.03	-99.67
CC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)(C(=O)[O-])C1CC1	REAL300013214731	1	44	-2.0	-129.82	350.32	6.80	-123.02
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CS1)=N2	REAL300013214732	1	41	-2.0	-129.33	361.00	6.87	-122.46
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013214733	1	47	-2.0	-132.20	362.96	7.81	-124.39
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214734	1	43	-2.0	-122.62	343.72	8.08	-114.54
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214735	1	43	-2.0	-121.16	354.99	8.51	-112.65
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214736	1	40	-2.0	-121.60	333.49	7.75	-113.85
CC1(C)CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013214737	1	38	-2.0	-127.10	322.62	1.47	-125.63
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214738	1	46	-2.0	-126.39	363.97	6.65	-119.74
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013214739	1	44	-2.0	-131.69	348.45	6.71	-124.98
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)=N2	REAL300013214740	1	47	-2.0	-113.49	392.88	10.53	-102.96
CCC(C)(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214741	1	43	-2.0	-126.72	337.59	5.97	-120.75
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)=N2	REAL300013214742	1	48	-2.0	-136.13	389.00	8.98	-127.15
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)=N2	REAL300013214743	1	44	-2.0	-131.33	380.47	7.88	-123.45
CC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013214744	1	47	-2.0	-134.29	377.70	8.47	-125.82
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214745	1	40	-2.0	-121.60	333.49	7.75	-113.85
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214746	1	55	-2.0	-128.67	423.58	9.06	-119.61
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013214747	1	42	-2.0	-134.36	345.27	4.26	-130.10
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC1)=N2	REAL300013214748	1	38	-2.0	-131.40	317.83	5.78	-125.62
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)=N2	REAL300013214749	1	44	-2.0	-125.22	386.12	8.31	-116.91
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCOCC1C(=O)[O-])=N2	REAL300013214750	1	42	-2.0	-133.07	337.33	6.53	-126.54
CN(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013214751	1	50	-2.0	-131.42	374.43	9.53	-121.89
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013214752	1	41	-2.0	-125.51	340.35	6.13	-119.38
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])=N2	REAL300013214753	1	50	-2.0	-124.55	414.90	11.53	-113.02
CN(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013214754	1	47	-2.0	-124.49	379.31	9.65	-114.84
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214755	1	44	-2.0	-122.09	364.87	6.92	-115.17
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3=CC=CC=C31)=N2	REAL300013214756	1	48	-2.0	-140.68	384.31	8.77	-131.91
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013214757	1	41	-2.0	-133.35	334.79	7.39	-125.96
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCCC[C@@H]1C(=O)[O-])=N2	REAL300013214758	1	44	-2.0	-139.70	346.00	9.13	-130.57
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013214759	1	42	-2.0	-131.92	346.00	3.99	-127.93
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214760	1	40	-2.0	-114.87	325.54	6.84	-108.03
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013214761	1	41	-2.0	-133.27	334.85	7.37	-125.90
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC1)=N2	REAL300013214762	1	41	-2.0	-131.74	334.63	6.29	-125.45
C=CCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214763	1	41	-2.0	-123.33	345.93	6.11	-117.22
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214764	1	44	-2.0	-132.33	351.18	8.21	-124.12
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCCCCC1C(=O)[O-])=N2	REAL300013214765	1	47	-2.0	-138.75	360.96	9.85	-128.90
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013214766	1	41	-2.0	-125.51	340.35	6.13	-119.38
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214767	1	40	-2.0	-114.70	325.52	6.94	-107.76
CCCCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214768	1	46	-2.0	-124.47	376.44	7.18	-117.29
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC(O)=C1)=N2	REAL300013214769	1	45	-2.0	-132.32	380.60	4.86	-127.46
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])=N2	REAL300013214770	1	50	-2.0	-124.55	414.90	11.53	-113.02
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214771	1	44	-2.0	-132.12	351.18	8.21	-123.91
CN(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013214772	1	50	-2.0	-131.42	374.43	9.53	-121.89
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013214773	1	47	-2.0	-121.67	369.83	9.32	-112.35
COCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214774	1	41	-2.0	-126.24	344.82	3.87	-122.37
CCCCCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214775	1	49	-2.0	-124.26	397.11	7.99	-116.27
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214776	1	46	-2.0	-126.79	364.22	6.75	-120.04
CCC1CCC(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)(C(=O)[O-])CC1	REAL300013214777	1	53	-2.0	-132.81	402.02	9.05	-123.76
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)=N2	REAL300013214778	1	48	-2.0	-121.84	378.27	7.65	-114.19
CN(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C1(C(=O)[O-])CCCC1	REAL300013214779	1	47	-2.0	-133.09	361.07	8.58	-124.51
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C1CC1	REAL300013214780	1	44	-2.0	-114.38	351.22	9.44	-104.94
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C1CC1	REAL300013214781	1	47	-2.0	-118.71	368.03	9.48	-109.23
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)=N2	REAL300013214782	1	44	-2.0	-132.57	380.37	8.19	-124.38
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1F)=N2	REAL300013214783	1	44	-2.0	-137.15	374.02	7.81	-129.34
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCC3=CC=CC=C3C1C(=O)[O-])=N2	REAL300013214784	1	48	-2.0	-131.63	386.52	10.52	-121.11
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])=C1C	REAL300013214785	1	50	-2.0	-133.42	398.66	8.75	-124.67
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214786	1	43	-2.0	-121.16	354.99	8.51	-112.65
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C1CC1	REAL300013214787	1	48	-2.0	-116.16	380.85	8.88	-107.28
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C1CCC1	REAL300013214788	1	47	-2.0	-113.84	367.44	8.83	-105.01
CCCN(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(COC)C(=O)[O-]	REAL300013214789	1	50	-2.0	-128.88	397.56	9.36	-119.52
CCCN(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(CC)C(=O)[O-]	REAL300013214790	1	49	-2.0	-127.71	384.10	10.04	-117.67
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214791	1	46	-2.0	-125.64	372.15	6.94	-118.70
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOCC1)=N2	REAL300013214792	1	45	-2.0	-127.63	354.44	5.31	-122.32
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214793	1	44	-2.0	-124.21	367.76	6.96	-117.25
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CF)C(=O)[O-])=N2	REAL300013214794	1	37	-2.0	-107.67	315.24	4.65	-103.02
CCC(CC)(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214795	1	46	-2.0	-128.78	354.26	6.86	-121.92
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])C=C1	REAL300013214796	1	48	-2.0	-129.91	398.89	7.08	-122.83
CCC(COC)(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214797	1	47	-2.0	-131.73	372.50	6.16	-125.57
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013214798	1	44	-2.0	-125.37	365.06	7.20	-118.17
COCCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214799	1	44	-2.0	-121.86	366.29	4.72	-117.14
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N2	REAL300013214800	1	40	-2.0	-118.55	343.23	6.18	-112.37
CCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013214801	1	50	-2.0	-136.01	394.42	9.35	-126.66
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])C1	REAL300013214802	1	54	-2.0	-131.97	419.66	6.85	-125.12
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N2	REAL300013214803	1	40	-2.0	-118.46	340.04	5.78	-112.68
COC1(CC(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])CCC1	REAL300013214804	1	51	-2.0	-129.62	403.41	6.98	-122.64
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)=N2	REAL300013214805	1	48	-2.0	-121.84	378.27	7.65	-114.19
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCCC1)=N2	REAL300013214806	1	50	-2.0	-123.45	387.24	10.04	-113.41
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)(C(=O)[O-])CC1	REAL300013214807	1	50	-2.0	-133.05	376.73	8.18	-124.87
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])=C1	REAL300013214808	1	48	-2.0	-134.08	398.48	7.05	-127.03
CC(CCF)(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214809	1	43	-2.0	-121.46	344.18	6.11	-115.35
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCC3=C(C=CO3)C1C(=O)[O-])=N2	REAL300013214810	1	45	-2.0	-127.55	369.25	8.65	-118.90
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])=C1	REAL300013214811	1	48	-2.0	-134.33	399.11	7.00	-127.33
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214812	1	40	-2.0	-114.19	326.59	6.99	-107.20
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C1	REAL300013214813	1	50	-2.0	-134.52	400.75	9.66	-124.86
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)=N2	REAL300013214814	1	53	-2.0	-134.53	390.88	8.68	-125.85
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])C3)=N2	REAL300013214815	1	42	-2.0	-137.45	340.41	8.22	-129.23
COC1CN(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(C)(C(=O)[O-])C1	REAL300013214816	1	48	-2.0	-131.36	384.37	7.17	-124.19
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCOC1)C(=O)[O-])=N2	REAL300013214817	1	51	-2.0	-126.78	400.37	7.22	-119.56
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214818	1	46	-2.0	-126.79	364.22	6.75	-120.04
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214819	1	41	-2.0	-121.31	362.71	6.69	-114.62
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214820	1	44	-2.0	-123.58	366.46	6.86	-116.72
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1C3CCC1(C(=O)[O-])CC3)=N2	REAL300013214821	1	45	-2.0	-137.14	353.94	8.98	-128.16
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])=N2	REAL300013214822	1	42	-2.0	-131.80	346.04	3.99	-127.81
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])=N2	REAL300013214823	1	41	-2.0	-121.86	346.99	7.82	-114.04
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013214824	1	41	-2.0	-126.87	340.56	7.74	-119.13
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C1	REAL300013214825	1	42	-2.0	-133.88	347.28	8.10	-125.78
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOCC1)C(=O)[O-])=N2	REAL300013214826	1	51	-2.0	-123.75	400.46	7.19	-116.56
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214827	1	46	-2.0	-125.64	372.15	6.94	-118.70
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)=N2	REAL300013214828	1	48	-2.0	-128.54	377.94	5.44	-123.10
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013214829	1	44	-2.0	-132.60	369.60	7.71	-124.89
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013214830	1	44	-2.0	-125.37	365.06	7.20	-118.17
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1=CN=CS1)C(=O)[O-])=N2	REAL300013214831	1	43	-2.0	-123.63	378.43	5.81	-117.82
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214832	1	52	-2.0	-124.77	414.68	8.50	-116.27
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCO1)C(=O)[O-])=N2	REAL300013214833	1	48	-2.0	-132.17	389.39	6.08	-126.09
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214834	1	41	-2.0	-128.43	341.65	2.53	-125.90
CSCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214835	1	41	-2.0	-124.06	356.24	6.09	-117.97
COC[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214836	1	41	-2.0	-126.25	345.31	3.88	-122.37
CC[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214837	1	40	-2.0	-123.66	333.45	5.64	-118.02
CC1(C)CCC2=C(C1)SC([N-]C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])=N2	REAL300013214838	1	47	-2.0	-121.78	398.05	8.78	-113.00
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214839	1	49	-2.0	-126.83	390.38	7.63	-119.20
C=CCCCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214840	1	47	-2.0	-124.07	388.43	7.77	-116.30
CC1(C)CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])=N2	REAL300013214841	1	47	-2.0	-121.71	398.23	8.72	-112.99
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013214842	1	42	-2.0	-131.78	346.13	9.08	-122.70
CC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013214843	1	47	-2.0	-134.29	377.70	8.47	-125.82
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013214844	1	41	-2.0	-133.35	334.79	7.39	-125.96
CCCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214845	1	43	-2.0	-124.08	354.11	6.43	-117.65
CC(C)[C@@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214846	1	43	-2.0	-124.78	348.57	6.25	-118.53
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])=N2	REAL300013214847	1	45	-2.0	-140.15	356.16	9.32	-130.83
CCN(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(C)(C)C(=O)[O-]	REAL300013214848	1	46	-2.0	-129.71	359.22	8.66	-121.05
CCCN(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(C)C(=O)[O-]	REAL300013214849	1	46	-2.0	-124.30	367.73	9.56	-114.74
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214850	1	43	-2.0	-124.33	354.71	6.47	-117.86
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])=N2	REAL300013214851	1	45	-2.0	-134.38	357.50	8.72	-125.66
CC1(C)CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013214852	1	44	-2.0	-132.75	369.68	7.71	-125.04
CN(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(C)(C)C(=O)[O-]	REAL300013214853	1	43	-2.0	-128.51	340.72	7.79	-120.72
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013214854	1	41	-2.0	-133.27	334.85	7.37	-125.90
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214857	1	49	-2.0	-126.83	390.38	7.63	-119.20
C#CCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214858	1	39	-2.0	-123.28	338.88	6.07	-117.21
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214859	1	50	-2.0	-125.99	403.84	12.04	-113.95
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214860	1	40	-2.0	-114.70	325.52	6.94	-107.76
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214861	1	47	-2.0	-125.28	385.29	7.56	-117.72
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])=N2	REAL300013214862	1	46	-2.0	-123.23	386.97	6.89	-116.34
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214863	1	50	-2.0	-118.35	398.40	8.12	-110.23
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214864	1	49	-2.0	-118.69	384.79	9.36	-109.33
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=N1)=N2	REAL300013214865	1	43	-2.0	-135.38	365.75	6.20	-129.18
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214866	1	50	-2.0	-135.39	388.65	10.02	-125.37
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214867	1	50	-2.0	-120.85	397.33	10.72	-110.13
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])=N2	REAL300013214870	1	46	-2.0	-123.23	386.97	6.89	-116.34
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CN=C1)=N2	REAL300013214871	1	43	-2.0	-128.55	364.27	5.99	-122.56
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214872	1	48	-2.0	-133.23	380.06	8.44	-124.79
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214873	0	48	-2.0	-136.48	388.00	11.65	-124.83
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)[C@H]1C(=O)[O-]	REAL300013214874	0	51	-2.0	-126.17	398.68	11.09	-115.08
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])=N2	REAL300013214875	1	49	-2.0	-123.91	409.49	7.72	-116.19
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214876	1	44	-2.0	-124.21	367.76	6.96	-117.25
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1=NC=CS1)C(=O)[O-])=N2	REAL300013214877	1	43	-2.0	-125.68	378.15	5.71	-119.97
CC#CCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214878	1	42	-2.0	-125.37	360.71	7.03	-118.34
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)CC1=O	REAL300013214879	1	45	-2.0	-127.76	362.71	7.10	-120.66
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214880	1	44	-2.0	-132.35	351.13	8.19	-124.16
CC(C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214881	1	43	-2.0	-124.13	347.65	6.19	-117.94
CC1(C)CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013214882	1	44	-2.0	-132.26	369.04	7.74	-124.52
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214883	1	47	-2.0	-130.14	379.06	7.00	-123.14
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214884	1	40	-2.0	-114.19	326.59	6.99	-107.20
CCC[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214885	1	43	-2.0	-124.11	354.17	6.43	-117.68
CCN(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(C)C(=O)[O-]	REAL300013214886	1	43	-2.0	-116.71	345.06	7.83	-108.88
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013214887	1	47	-2.0	-121.67	369.83	9.32	-112.35
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214888	1	46	-2.0	-126.39	363.97	6.65	-119.74
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214889	1	43	-2.0	-115.01	346.53	7.97	-107.04
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(CO)C1)=N2	REAL300013214890	1	45	-2.0	-136.93	365.18	3.47	-133.46
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214891	1	53	-2.0	-130.78	416.14	6.98	-123.80
CC1CCC(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)(C(=O)[O-])C1	REAL300013214892	1	47	-2.0	-133.16	368.49	7.31	-125.85
CC1(C)CCCC1(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214893	1	50	-2.0	-135.46	377.42	7.96	-127.50
COCCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214894	1	44	-2.0	-121.86	366.29	4.72	-117.14
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)(C(=O)[O-])C1	REAL300013214895	1	47	-2.0	-133.67	371.06	8.00	-125.67
CC1(C(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])CC1	REAL300013214896	1	44	-2.0	-128.70	357.06	7.00	-121.70
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214897	1	53	-2.0	-131.13	417.79	6.88	-124.25
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])=N2	REAL300013214898	1	42	-2.0	-140.51	346.10	4.16	-136.35
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOC1)=N2	REAL300013214899	1	45	-2.0	-122.70	367.98	4.78	-117.92
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])=N2	REAL300013214900	1	45	-2.0	-136.60	356.14	8.79	-127.81
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CNC3=CC=CC=C13)=N2	REAL300013214901	1	48	-2.0	-139.34	401.74	7.76	-131.58
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])CO3)=N2	REAL300013214902	1	43	-2.0	-132.07	347.38	6.50	-125.57
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C1	REAL300013214903	1	47	-2.0	-140.40	362.37	9.92	-130.48
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214904	1	50	-2.0	-127.57	407.03	9.00	-118.57
CN(C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C1(C(=O)[O-])CC1	REAL300013214905	1	41	-2.0	-128.32	341.08	7.50	-120.82
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])=N2	REAL300013214906	1	51	-2.0	-127.52	405.92	8.84	-118.68
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013214907	1	44	-2.0	-127.12	353.57	6.61	-120.51
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)=N2	REAL300013214908	1	50	-2.0	-127.35	389.27	8.06	-119.29
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013214909	1	44	-2.0	-127.12	353.57	6.61	-120.51
CC1CCN(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C1C(=O)[O-]	REAL300013214910	1	44	-2.0	-134.67	354.63	8.25	-126.42
C=CCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214911	1	41	-2.0	-123.33	345.93	6.11	-117.22
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCCO1)C(=O)[O-])=N2	REAL300013214912	1	51	-2.0	-128.97	405.44	7.45	-121.52
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)=N2	REAL300013214913	1	51	-2.0	-132.54	381.64	9.55	-122.99
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)=N2	REAL300013214914	1	51	-2.0	-128.58	383.51	6.60	-121.98
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC3=C(CC(C)(C)CC3)S1)C2C(=O)[O-]	REAL300013214915	1	51	-2.0	-132.65	404.23	11.01	-121.64
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])=N2	REAL300013214916	1	51	-2.0	-127.52	405.92	8.84	-118.68
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])=N2	REAL300013214917	1	47	-2.0	-123.98	398.04	8.78	-115.20
COC1CC(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)(C(=O)[O-])C1	REAL300013214918	1	45	-2.0	-128.19	366.16	5.17	-123.02
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(F)(F)C1)=N2	REAL300013214919	1	41	-2.0	-124.86	343.06	6.33	-118.53
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)(C(=O)[O-])C1	REAL300013214920	1	45	-2.0	-128.13	366.29	5.14	-122.99
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)=N2	REAL300013214921	1	44	-2.0	-123.30	373.51	7.40	-115.90
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214922	1	47	-2.0	-134.74	364.53	9.45	-125.29
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2	REAL300013214923	1	40	-2.0	-117.82	348.55	6.37	-111.45
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])=N2	REAL300013214924	1	48	-2.0	-125.26	387.01	5.72	-119.54
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])COC1)=N2	REAL300013214925	1	39	-2.0	-122.81	325.39	3.33	-119.48
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CS1)C(=O)[O-])=N2	REAL300013214926	1	44	-2.0	-124.48	383.75	7.70	-116.78
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214927	1	46	-2.0	-128.09	352.51	6.59	-121.50
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013214928	1	42	-2.0	-138.49	341.33	8.82	-129.67
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013214929	1	45	-2.0	-137.47	357.39	8.27	-129.20
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214930	1	50	-2.0	-120.85	397.33	10.72	-110.13
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])=N2	REAL300013214931	1	53	-2.0	-127.89	413.53	8.90	-118.99
CC1(C)CCC2=C(C1)SC([N-]C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])=N2	REAL300013214932	1	50	-2.0	-126.53	414.91	9.42	-117.11
CC1(C)CCC2=C(C1)SC([N-]C(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])=N2	REAL300013214933	1	50	-2.0	-126.72	414.91	9.43	-117.29
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC3CCC1C3)=N2	REAL300013214934	1	51	-2.0	-131.76	395.79	8.29	-123.47
CC1(C)CCC2=C(C1)SC([N-]C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])=N2	REAL300013214935	1	53	-2.0	-128.09	413.80	8.85	-119.24
CC1(C)CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])=N2	REAL300013214936	1	53	-2.0	-127.58	412.94	8.86	-118.72
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CC3(CCCC3)CC1C(=O)[O-])=N2	REAL300013214937	1	51	-2.0	-132.89	396.24	9.69	-123.20
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1C[C@H]3CCCC[C@H]3[C@@H]1C(=O)[O-])=N2	REAL300013214938	1	51	-2.0	-138.19	392.85	9.38	-128.81
C=CCSCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214939	1	45	-2.0	-124.75	390.52	7.55	-117.20
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])=N2	REAL300013214940	1	48	-2.0	-120.77	412.74	9.05	-111.72
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214941	1	46	-2.0	-116.80	361.20	8.77	-108.03
COC1(C(NC(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])CCC1	REAL300013214942	1	48	-2.0	-125.70	380.44	5.27	-120.43
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3=CC=CC=C3C1)=N2	REAL300013214943	1	51	-2.0	-136.40	400.92	9.73	-126.67
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C(F)F)C1)=N2	REAL300013214944	1	44	-2.0	-133.60	366.62	7.14	-126.46
CC1(C)CCC2=C(C1)SC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300013214945	0	44	-2.0	-129.97	366.72	8.09	-121.88
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300013214945	1	43	-3.0	-210.89	363.50	6.89	-204.00
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013214946	1	41	-2.0	-126.87	340.56	7.74	-119.13
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1C3C=CC(C3)C1C(=O)[O-])=N2	REAL300013214947	1	43	-2.0	-131.77	350.54	8.49	-123.28
CC1(C)CCN(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C1C(=O)[O-]	REAL300013214948	1	47	-2.0	-135.70	366.42	8.61	-127.09
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CC3(CCC3)CCC1C(=O)[O-])=N2	REAL300013214949	1	51	-2.0	-142.79	391.68	10.77	-132.02
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC3=CC=CC=C31)=N2	REAL300013214950	1	51	-2.0	-131.66	410.53	9.75	-121.91
CC(C)CCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214951	1	49	-2.0	-124.72	393.18	7.73	-116.99
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CC3(CCC3)CC1C(=O)[O-])=N2	REAL300013214952	1	48	-2.0	-134.07	383.67	9.20	-124.87
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])=N2	REAL300013214953	1	48	-2.0	-125.26	387.01	5.72	-119.54
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C1	REAL300013214954	1	45	-2.0	-129.34	378.30	8.65	-120.69
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214955	1	41	-2.0	-119.80	339.41	2.28	-117.52
CC1(C)CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013214956	1	38	-2.0	-127.10	322.62	1.47	-125.63
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC3CC31)=N2	REAL300013214957	1	48	-2.0	-135.60	368.67	8.45	-127.15
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3CC31)=N2	REAL300013214958	1	45	-2.0	-133.11	357.08	7.31	-125.80
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3(CCC3)C1)=N2	REAL300013214959	1	48	-2.0	-133.86	377.20	7.91	-125.95
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CC3(CC1C(=O)[O-])CCCCC3)=N2	REAL300013214960	1	54	-2.0	-134.63	410.60	10.14	-124.49
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCC1)=N2	REAL300013214961	1	47	-2.0	-128.39	369.67	7.16	-121.23
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214962	1	44	-2.0	-126.98	363.45	4.88	-122.10
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214963	1	44	-2.0	-133.25	352.58	7.12	-126.13
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)=N2	REAL300013214964	1	47	-2.0	-124.40	392.49	10.75	-113.65
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C1	REAL300013214965	1	47	-2.0	-132.16	374.32	8.49	-123.67
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCC(F)(F)CC1C(=O)[O-])=N2	REAL300013214966	1	44	-2.0	-130.05	357.45	9.17	-120.88
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCC(F)(F)C1C(=O)[O-])=N2	REAL300013214967	1	41	-2.0	-129.40	345.77	7.78	-121.62
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])=N2	REAL300013214968	1	47	-2.0	-123.98	398.04	8.78	-115.20
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])=N2	REAL300013214969	1	44	-2.0	-124.15	382.71	7.60	-116.55
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214970	1	44	-2.0	-125.46	363.63	8.41	-117.05
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3(CC(F)(F)C3)C1)=N2	REAL300013214971	1	48	-2.0	-131.83	396.39	8.35	-123.48
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])=N2	REAL300013214972	1	44	-2.0	-124.15	382.71	7.60	-116.55
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013214973	1	48	-2.0	-137.72	373.15	8.81	-128.91
CC1(C)CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=C(O)C=C1)=N2	REAL300013214974	1	45	-2.0	-129.32	380.38	4.94	-124.38
COCCCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214975	1	47	-2.0	-125.18	388.62	5.47	-119.71
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214976	1	46	-2.0	-116.80	367.48	8.70	-108.10
CCOCC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214977	1	44	-2.0	-127.13	367.16	4.86	-122.27
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214978	1	49	-2.0	-126.22	384.28	8.04	-118.18
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCO1)=N2	REAL300013214979	1	48	-2.0	-129.83	384.26	6.19	-123.64
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)=N2	REAL300013214980	1	48	-2.0	-136.13	389.00	8.98	-127.15
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)[C@@H]1C(=O)[O-]	REAL300013214981	1	45	-2.0	-135.36	357.40	7.34	-128.02
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N2	REAL300013214982	1	41	-2.0	-117.18	353.46	6.16	-111.02
CC1(C)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CO1)=N2	REAL300013214983	1	44	-2.0	-124.03	374.16	8.89	-115.14
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300013214984	1	40	-2.0	-114.87	325.54	6.84	-108.03
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C1	REAL300013214985	1	48	-2.0	-135.23	389.16	7.60	-127.63
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013214986	1	51	-2.0	-123.82	409.43	7.04	-116.78
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013214987	1	48	-2.0	-120.84	401.16	9.59	-111.25
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(=O)[O-])C=C1	REAL300013214988	1	45	-2.0	-129.04	387.47	6.57	-122.47
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013214989	1	38	-2.0	-114.44	345.86	4.50	-109.94
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCSCC1	REAL300013214990	1	43	-2.0	-121.21	357.13	5.65	-115.56
COCC(C)(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013214991	1	42	-2.0	-125.96	352.32	3.43	-122.53
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013214992	1	45	-2.0	-114.59	374.43	5.41	-109.18
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013214993	1	44	-2.0	-119.08	366.13	7.20	-111.88
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CC1	REAL300013214994	1	39	-2.0	-119.40	335.23	6.27	-113.13
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013214995	1	41	-2.0	-112.44	369.61	7.07	-105.37
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCOC1	REAL300013214996	1	40	-2.0	-122.13	335.58	2.30	-119.83
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCCCC1	REAL300013214997	1	48	-2.0	-125.27	383.00	6.10	-119.17
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=C(O)C=C1	REAL300013214998	1	43	-2.0	-125.48	377.17	3.04	-122.44
CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013214999	1	49	-2.0	-116.28	402.20	6.90	-109.38
C=CCOCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215000	1	43	-2.0	-124.23	376.55	3.60	-120.63
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215001	1	43	-2.0	-140.24	350.29	4.68	-135.56
C=CC(C)C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215002	1	42	-2.0	-120.15	361.45	4.95	-115.20
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCOCC1	REAL300013215003	1	46	-2.0	-124.36	373.85	3.68	-120.68
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=C(F)C(F)=C1	REAL300013215004	1	42	-2.0	-117.73	378.81	6.01	-111.72
COC1CCN(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(C(=O)[O-])C1	REAL300013215005	1	46	-2.0	-134.63	375.02	6.25	-128.38
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCCOC1	REAL300013215006	1	46	-2.0	-120.66	373.82	3.71	-116.95
CC1CCN(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(C(=O)[O-])C1	REAL300013215007	1	45	-2.0	-136.40	356.72	7.61	-128.79
CC1=CC(C(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(=O)[O-])=CC=C1F	REAL300013215008	1	45	-2.0	-121.41	392.56	6.67	-114.74
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(=O)[O-])=C1	REAL300013215009	1	48	-2.0	-131.13	408.88	7.22	-123.91
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(=O)[O-])C=C1C	REAL300013215010	1	48	-2.0	-130.74	404.53	7.09	-123.65
CC(C)C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215011	1	41	-2.0	-120.87	345.05	4.43	-116.44
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215012	1	42	-2.0	-135.36	342.38	7.27	-128.09
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=C(Cl)C=C1	REAL300013215013	1	42	-2.0	-121.31	382.64	6.50	-114.81
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215014	1	40	-2.0	-127.61	342.61	7.28	-120.33
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCCCC1	REAL300013215015	1	45	-2.0	-128.24	359.45	5.99	-122.25
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215016	1	39	-2.0	-128.89	330.55	5.84	-123.05
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCCC1	REAL300013215017	1	42	-2.0	-127.60	344.94	4.90	-122.70
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCCCCC1	REAL300013215018	1	48	-2.0	-128.75	365.11	6.65	-122.10
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215019	1	45	-2.0	-122.42	387.48	6.85	-115.57
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215020	1	45	-2.0	-121.12	388.95	8.93	-112.19
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=CC=C1	REAL300013215021	1	42	-2.0	-128.55	365.88	5.98	-122.57
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=CC=C1	REAL300013215022	1	42	-2.0	-128.44	365.46	5.93	-122.51
CCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215023	1	38	-2.0	-119.88	329.69	3.88	-116.00
CC(C)C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215024	1	41	-2.0	-120.87	345.05	4.43	-116.44
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215025	1	36	-2.0	-123.58	319.40	-0.30	-123.88
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215026	1	36	-2.0	-123.58	319.40	-0.30	-123.88
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215027	1	45	-2.0	-122.42	387.48	6.85	-115.57
CCC(C)C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215028	1	44	-2.0	-122.95	360.58	4.80	-118.15
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215029	1	42	-2.0	-135.36	342.38	7.27	-128.09
CCCC(C)(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215030	1	44	-2.0	-123.88	355.57	4.90	-118.98
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215031	1	41	-2.0	-118.92	340.21	6.26	-112.66
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CC1	REAL300013215032	1	39	-2.0	-119.40	335.23	6.27	-113.13
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215033	1	39	-2.0	-118.07	342.79	6.49	-111.58
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215034	1	44	-2.0	-119.08	366.13	7.20	-111.88
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215035	1	46	-2.0	-137.37	380.58	9.36	-128.01
CC(C)(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215036	1	38	-2.0	-101.86	320.68	3.20	-98.66
CC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)(C(=O)[O-])C1CC1	REAL300013215037	1	42	-2.0	-125.60	344.17	4.85	-120.75
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=CS1	REAL300013215038	1	39	-2.0	-125.42	357.53	5.06	-120.36
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCCCC1	REAL300013215039	1	45	-2.0	-128.24	359.45	5.99	-122.25
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215040	1	41	-2.0	-118.92	340.21	6.26	-112.66
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215041	1	41	-2.0	-117.91	351.47	6.69	-111.22
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215042	1	38	-2.0	-117.90	329.97	5.93	-111.97
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215043	1	36	-2.0	-123.53	319.55	-0.33	-123.86
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215044	1	44	-2.0	-122.64	360.45	4.83	-117.81
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCCC1	REAL300013215045	1	42	-2.0	-127.60	344.94	4.90	-122.70
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215046	1	45	-2.0	-110.26	389.33	8.71	-101.55
CCC(C)(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215047	1	41	-2.0	-122.91	334.07	4.14	-118.77
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CC2=CC=CC=C2C1	REAL300013215048	1	46	-2.0	-132.04	384.05	7.04	-125.00
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC(F)=CC=C1F	REAL300013215049	1	42	-2.0	-127.17	376.15	6.07	-121.10
CC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013215050	1	45	-2.0	-130.41	374.19	6.64	-123.77
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215051	1	38	-2.0	-117.90	329.97	5.93	-111.97
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215052	1	53	-2.0	-124.60	420.06	7.23	-117.37
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215053	1	40	-2.0	-129.88	341.81	2.44	-127.44
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CC1	REAL300013215054	1	36	-2.0	-127.17	314.26	3.97	-123.20
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=C(Cl)C=C1	REAL300013215055	1	42	-2.0	-121.31	382.64	6.50	-114.81
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215056	1	40	-2.0	-128.86	333.69	4.85	-124.01
CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013215057	1	48	-2.0	-127.57	370.86	7.72	-119.85
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CC1	REAL300013215058	1	39	-2.0	-123.01	336.33	4.32	-118.69
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215059	1	48	-2.0	-121.11	411.38	9.72	-111.39
CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013215060	1	45	-2.0	-121.70	375.65	7.87	-113.83
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215061	1	42	-2.0	-118.85	361.35	5.10	-113.75
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCC2=CC=CC=C21	REAL300013215062	1	46	-2.0	-135.63	380.78	6.91	-128.72
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215063	1	39	-2.0	-129.30	331.30	5.58	-123.72
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215064	1	42	-2.0	-135.28	342.60	7.27	-128.01
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215065	1	40	-2.0	-127.42	341.80	2.47	-124.95
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215066	1	38	-2.0	-110.91	322.58	5.07	-105.84
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215067	1	39	-2.0	-128.85	330.52	5.84	-123.01
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCC1	REAL300013215068	1	39	-2.0	-127.58	331.09	4.48	-123.10
C=CCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215069	1	39	-2.0	-120.12	343.21	4.27	-115.85
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215070	1	42	-2.0	-128.33	347.68	6.39	-121.94
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215071	1	45	-2.0	-134.13	357.55	7.88	-126.25
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CC1	REAL300013215072	1	39	-2.0	-123.01	336.33	4.32	-118.69
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215073	1	38	-2.0	-110.91	322.56	5.06	-105.85
CCCCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215074	1	44	-2.0	-120.83	372.93	5.36	-115.47
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=CC(O)=C1	REAL300013215075	1	43	-2.0	-127.75	377.13	3.03	-124.72
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215076	1	48	-2.0	-121.11	411.38	9.72	-111.39
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215077	1	42	-2.0	-128.32	347.60	6.38	-121.94
CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013215078	1	48	-2.0	-127.57	370.86	7.72	-119.85
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCCC1	REAL300013215079	1	45	-2.0	-118.59	367.29	7.58	-111.01
COCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215080	1	39	-2.0	-122.73	341.65	2.10	-120.63
CCCCCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215081	1	47	-2.0	-120.85	394.43	6.14	-114.71
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215082	1	44	-2.0	-122.44	359.10	4.95	-117.49
CCC1CCC(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)(C(=O)[O-])CC1	REAL300013215083	1	51	-2.0	-128.74	398.52	7.24	-121.50
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCOCC1	REAL300013215084	1	46	-2.0	-118.71	374.75	5.83	-112.88
CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1(C(=O)[O-])CCCC1	REAL300013215085	1	45	-2.0	-129.19	357.50	6.77	-122.42
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CC1	REAL300013215086	1	42	-2.0	-111.16	347.69	7.62	-103.54
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CC1	REAL300013215087	1	45	-2.0	-115.62	364.76	7.84	-107.78
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=CC=C1Cl	REAL300013215088	1	42	-2.0	-128.89	378.07	6.33	-122.56
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=CC=C1F	REAL300013215089	1	42	-2.0	-132.82	370.26	6.06	-126.76
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215090	1	46	-2.0	-127.87	383.10	8.71	-119.16
CC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(=O)[O-])=C1C	REAL300013215091	1	48	-2.0	-130.16	398.87	7.02	-123.14
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215092	1	41	-2.0	-117.91	351.47	6.69	-111.22
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CC1	REAL300013215093	1	46	-2.0	-113.08	377.33	7.06	-106.02
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCC1	REAL300013215094	1	45	-2.0	-123.14	363.58	8.00	-115.14
CCCN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(COC)C(=O)[O-]	REAL300013215095	1	48	-2.0	-117.49	389.50	6.24	-111.25
CCCN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(CC)C(=O)[O-]	REAL300013215096	1	47	-2.0	-113.76	377.75	7.55	-106.21
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215097	1	44	-2.0	-121.99	368.63	5.12	-116.87
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCOCC1	REAL300013215098	1	43	-2.0	-123.67	350.87	3.50	-120.17
C=CCCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215099	1	42	-2.0	-120.32	364.00	5.21	-115.11
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215100	1	35	-2.0	-104.51	311.72	2.83	-101.68
CCC(CC)(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215101	1	44	-2.0	-124.92	350.46	5.04	-119.88
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(=O)[O-])C=C1	REAL300013215102	1	46	-2.0	-126.05	395.65	5.19	-120.86
CCC(COC)(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215103	1	45	-2.0	-128.02	368.99	4.33	-123.69
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215104	1	42	-2.0	-121.39	360.75	5.40	-115.99
COCCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215105	1	42	-2.0	-118.39	363.60	2.87	-115.52
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215106	1	38	-2.0	-114.75	342.04	4.17	-110.58
CCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013215107	1	48	-2.0	-131.85	390.90	7.53	-124.32
COC1CCCC(C(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(=O)[O-])C1	REAL300013215108	1	52	-2.0	-127.70	415.46	5.10	-122.60
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215109	1	38	-2.0	-115.03	336.52	3.96	-111.07
COC1(CC(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(=O)[O-])CCC1	REAL300013215110	1	49	-2.0	-125.83	399.90	5.17	-120.66
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCOCC1	REAL300013215111	1	46	-2.0	-118.71	374.75	5.83	-112.88
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCCCC1	REAL300013215112	1	48	-2.0	-120.16	383.70	8.22	-111.94
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)(C(=O)[O-])CC1	REAL300013215113	1	48	-2.0	-129.11	373.25	6.37	-122.74
COC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(=O)[O-])=C1	REAL300013215114	1	46	-2.0	-130.46	395.37	5.26	-125.20
CC(CCF)(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215115	1	41	-2.0	-117.64	340.66	4.28	-113.36
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC=C(C3CCOCC3)S1)OC=C2	REAL300013215116	1	43	-2.0	-124.19	365.68	6.84	-117.35
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(=O)[O-])=C1	REAL300013215117	1	46	-2.0	-130.48	395.56	5.18	-125.30
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215118	1	38	-2.0	-110.97	323.07	5.17	-105.80
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C1	REAL300013215119	1	48	-2.0	-130.42	397.29	7.86	-122.56
CC1(C)CCCC(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)(C(=O)[O-])C1	REAL300013215120	1	51	-2.0	-130.36	387.36	6.86	-123.50
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215121	1	40	-2.0	-133.38	336.88	6.43	-126.95
COC1CN(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(C)(C(=O)[O-])C1	REAL300013215122	1	46	-2.0	-129.45	379.44	5.44	-124.01
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215123	1	49	-2.0	-123.19	397.10	5.33	-117.86
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215124	1	44	-2.0	-122.44	359.10	4.95	-117.49
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215125	1	39	-2.0	-117.96	358.40	4.93	-113.03
C=C(C)CC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215126	1	42	-2.0	-120.02	362.84	5.19	-114.83
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215127	1	43	-2.0	-133.16	350.47	7.17	-125.99
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215128	1	40	-2.0	-128.17	342.57	2.16	-126.01
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215129	1	39	-2.0	-118.18	343.50	5.99	-112.19
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215130	1	39	-2.0	-123.20	337.00	5.93	-117.27
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C1	REAL300013215131	1	40	-2.0	-129.94	343.75	6.28	-123.66
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215132	1	49	-2.0	-121.64	401.39	4.63	-117.01
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215133	1	44	-2.0	-121.99	368.63	5.12	-116.87
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCOCC1	REAL300013215134	1	46	-2.0	-124.36	373.85	3.68	-120.68
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=CC=C1	REAL300013215135	1	42	-2.0	-128.44	365.46	5.93	-122.51
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215136	1	42	-2.0	-121.39	360.75	5.40	-115.99
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215137	1	41	-2.0	-120.12	374.96	4.00	-116.12
CC(C)CCCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215138	1	50	-2.0	-121.25	412.00	6.66	-114.59
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215139	1	46	-2.0	-128.14	385.92	4.27	-123.87
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215140	1	39	-2.0	-119.63	336.21	0.92	-118.71
CSCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215141	1	39	-2.0	-120.71	353.63	4.16	-116.55
COC[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215142	1	39	-2.0	-122.65	341.31	2.06	-120.59
CC[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215143	1	38	-2.0	-120.04	329.94	3.82	-116.22
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215144	1	45	-2.0	-118.02	394.47	6.96	-111.06
CCC(C)CC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215145	1	47	-2.0	-122.17	386.87	5.78	-116.39
C=CCCCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215146	1	45	-2.0	-120.58	385.50	5.99	-114.59
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215147	1	45	-2.0	-118.09	394.47	6.97	-111.12
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215148	1	40	-2.0	-127.61	342.61	7.28	-120.33
CC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013215149	1	45	-2.0	-130.41	374.19	6.64	-123.77
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215150	1	39	-2.0	-129.30	331.30	5.58	-123.72
CCCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215151	1	41	-2.0	-120.49	351.19	4.64	-115.85
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215152	1	41	-2.0	-121.30	341.37	4.23	-117.07
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215153	1	43	-2.0	-135.94	353.24	7.50	-128.44
CCN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(C)(C)C(=O)[O-]	REAL300013215154	1	44	-2.0	-125.75	355.71	6.86	-118.89
CCCN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(C)C(=O)[O-]	REAL300013215155	1	44	-2.0	-112.52	360.70	6.69	-105.83
CCC[C@@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215156	1	41	-2.0	-120.66	351.44	4.60	-116.06
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215157	1	43	-2.0	-130.50	354.64	6.86	-123.64
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=CC=C1	REAL300013215158	1	42	-2.0	-128.55	365.88	5.98	-122.57
CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(C)(C)C(=O)[O-]	REAL300013215159	1	41	-2.0	-124.63	337.21	5.99	-118.64
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215160	1	39	-2.0	-128.85	330.52	5.84	-123.01
CCC(C)CC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215163	1	47	-2.0	-122.17	386.87	5.78	-116.39
C#CCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215164	1	37	-2.0	-119.73	335.96	4.29	-115.44
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215165	1	48	-2.0	-117.30	393.17	8.78	-108.52
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215166	1	38	-2.0	-110.91	322.56	5.06	-105.85
CC(C)=CCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215167	1	45	-2.0	-122.15	382.34	5.79	-116.36
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215168	1	44	-2.0	-119.49	383.48	5.06	-114.43
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215169	1	48	-2.0	-115.76	395.31	6.26	-109.50
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215170	1	47	-2.0	-115.11	382.21	7.55	-107.56
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=CC=N1	REAL300013215171	1	41	-2.0	-131.33	362.23	4.38	-126.95
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215172	1	48	-2.0	-131.35	385.13	8.20	-123.15
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215173	1	48	-2.0	-117.26	393.11	8.78	-108.48
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215176	1	44	-2.0	-119.49	383.48	5.06	-114.43
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=CN=C1	REAL300013215177	1	41	-2.0	-124.78	360.99	4.11	-120.67
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215178	1	46	-2.0	-129.33	376.55	6.61	-122.72
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215179	0	46	-2.0	-132.52	384.48	9.84	-122.68
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215180	1	47	-2.0	-120.06	405.39	5.86	-114.20
C=CCCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215181	1	42	-2.0	-120.32	364.00	5.21	-115.11
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215182	1	41	-2.0	-122.06	374.88	3.83	-118.23
CC#CCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215183	1	40	-2.0	-121.83	358.03	5.18	-116.65
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)CC1=O	REAL300013215184	1	43	-2.0	-123.54	359.03	5.20	-118.34
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215185	1	42	-2.0	-128.38	347.66	6.39	-121.99
CC(C)[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215186	1	41	-2.0	-121.30	341.96	4.21	-117.09
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=CC=C1	REAL300013215187	1	42	-2.0	-128.78	366.06	5.90	-122.88
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215188	1	45	-2.0	-128.54	379.88	5.23	-123.31
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215189	1	38	-2.0	-110.97	323.07	5.17	-105.80
CCC[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215190	1	41	-2.0	-120.49	351.19	4.64	-115.85
CCN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(C)C(=O)[O-]	REAL300013215191	1	41	-2.0	-112.19	339.75	5.96	-106.23
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCCC1	REAL300013215192	1	45	-2.0	-118.59	367.29	7.58	-111.01
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215193	1	44	-2.0	-122.64	360.45	4.83	-117.81
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215194	1	41	-2.0	-112.40	342.44	6.27	-106.13
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CC(CO)C1	REAL300013215195	1	43	-2.0	-130.22	363.34	1.77	-128.45
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215196	1	51	-2.0	-126.66	410.38	5.01	-121.65
CC1CCC(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)(C(=O)[O-])C1	REAL300013215197	1	45	-2.0	-128.98	364.97	5.49	-123.49
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215198	1	48	-2.0	-131.21	373.80	6.13	-125.08
COCCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215199	1	42	-2.0	-118.39	363.60	2.87	-115.52
CC1(C)CC(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)(C(=O)[O-])C1	REAL300013215200	1	45	-2.0	-129.54	367.50	6.18	-123.36
CC1(C(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(=O)[O-])CC1	REAL300013215201	1	42	-2.0	-124.04	358.72	4.90	-119.14
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215202	1	51	-2.0	-127.17	413.98	5.04	-122.13
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215203	1	40	-2.0	-136.05	341.22	2.37	-133.68
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCOC1	REAL300013215204	1	43	-2.0	-118.63	362.65	2.96	-115.67
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215205	1	43	-2.0	-132.64	352.91	6.99	-125.65
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(C3CCOCC3)S1)C2	REAL300013215206	1	41	-2.0	-128.49	344.38	4.63	-123.86
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C1	REAL300013215207	1	45	-2.0	-135.86	363.42	7.82	-128.04
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215208	1	48	-2.0	-124.35	395.73	6.89	-117.46
CN(C(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1(C(=O)[O-])CC1	REAL300013215209	1	39	-2.0	-120.70	336.57	5.59	-115.11
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215210	1	49	-2.0	-123.92	402.61	6.96	-116.96
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCC1	REAL300013215211	1	42	-2.0	-123.38	356.70	4.86	-118.52
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCCCC1	REAL300013215212	1	48	-2.0	-125.27	383.00	6.10	-119.17
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCC1	REAL300013215213	1	42	-2.0	-123.38	356.70	4.86	-118.52
CC1CCN(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C1C(=O)[O-]	REAL300013215214	1	42	-2.0	-131.91	353.24	6.04	-125.87
C=CCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215215	1	39	-2.0	-120.12	343.21	4.27	-115.85
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215216	1	49	-2.0	-125.03	401.97	5.64	-119.39
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215217	1	49	-2.0	-128.84	378.00	7.70	-121.14
CC1(C)CC(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)(C(=O)[O-])CCO1	REAL300013215218	1	49	-2.0	-124.74	379.99	4.78	-119.96
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215219	1	49	-2.0	-123.92	402.61	6.96	-116.96
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215220	1	45	-2.0	-120.32	394.77	6.92	-113.40
COC1CC(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)(C(=O)[O-])C1	REAL300013215221	1	43	-2.0	-124.28	362.64	3.35	-120.93
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CC(F)(F)C1	REAL300013215222	1	39	-2.0	-120.95	339.65	4.50	-116.45
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)(C(=O)[O-])C1	REAL300013215223	1	43	-2.0	-130.17	363.01	3.75	-126.42
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1(C(F)(F)F)CC1	REAL300013215224	1	42	-2.0	-120.70	371.18	5.31	-115.39
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215225	1	45	-2.0	-130.76	360.90	7.60	-123.16
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215226	1	38	-2.0	-114.44	345.86	4.50	-109.94
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215227	1	46	-2.0	-121.51	383.50	3.90	-117.61
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)COC1	REAL300013215228	1	37	-2.0	-118.95	321.88	1.52	-117.43
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215229	1	42	-2.0	-120.90	379.99	5.95	-114.95
CC(C)C(C)(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215230	1	44	-2.0	-124.28	348.99	4.77	-119.51
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215231	1	40	-2.0	-134.40	337.93	6.96	-127.44
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215232	1	43	-2.0	-133.12	353.65	6.47	-126.65
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215233	1	48	-2.0	-117.26	393.11	8.78	-108.48
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215234	1	51	-2.0	-123.82	409.43	7.04	-116.78
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215235	1	48	-2.0	-122.68	410.51	7.65	-115.03
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215236	1	48	-2.0	-122.83	411.35	7.62	-115.21
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CC2CCC1C2	REAL300013215237	1	49	-2.0	-126.60	390.37	6.49	-120.11
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215238	1	51	-2.0	-124.13	410.28	7.02	-117.11
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215239	1	51	-2.0	-124.11	410.27	7.03	-117.08
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215240	1	49	-2.0	-129.24	392.83	7.86	-121.38
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215241	1	49	-2.0	-133.94	389.37	7.57	-126.37
C=CCSCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215242	1	43	-2.0	-121.26	387.66	5.69	-115.57
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215243	1	44	-2.0	-112.88	356.25	6.82	-106.06
COC1(C(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C(=O)[O-])CCC1	REAL300013215244	1	46	-2.0	-121.91	376.86	3.46	-118.45
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CC(C(F)F)C1	REAL300013215245	1	42	-2.0	-123.59	361.17	5.21	-118.38
O=C([O-])C1CC(NC(=O)NC2=NC=C(C3CCOCC3)S2)(C(=O)[O-])C1	REAL300013215246	0	42	-2.0	-127.24	363.18	6.28	-120.96
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)(C(=O)[O-])C1	REAL300013215246	1	41	-3.0	-202.23	358.57	4.96	-197.27
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215247	1	39	-2.0	-123.20	337.00	5.93	-117.27
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215248	1	41	-2.0	-125.49	346.37	6.67	-118.82
CC1(C)CCN(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C1C(=O)[O-]	REAL300013215249	1	45	-2.0	-132.97	366.70	6.51	-126.46
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215250	1	49	-2.0	-137.81	386.77	8.84	-128.97
CC(C)CCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215251	1	47	-2.0	-121.30	390.50	5.88	-115.42
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215252	1	46	-2.0	-130.43	380.18	7.37	-123.06
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215253	1	46	-2.0	-121.51	383.50	3.90	-117.61
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C1	REAL300013215254	1	43	-2.0	-125.50	374.80	6.84	-118.66
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215255	1	39	-2.0	-115.68	333.88	0.35	-115.33
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215256	1	36	-2.0	-123.53	319.55	-0.33	-123.86
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCCC2CC21	REAL300013215257	1	46	-2.0	-129.62	367.77	6.36	-123.26
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCC2CC21	REAL300013215258	1	43	-2.0	-128.98	353.56	5.49	-123.49
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CC2(CCC2)C1	REAL300013215259	1	46	-2.0	-129.56	373.68	6.09	-123.47
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC=C(C3CCOCC3)S1)CCCCC2	REAL300013215260	1	52	-2.0	-130.70	407.03	8.34	-122.36
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCCC1	REAL300013215261	1	45	-2.0	-124.32	366.14	5.41	-118.91
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215262	1	42	-2.0	-123.32	359.93	3.06	-120.26
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215263	1	42	-2.0	-127.44	346.66	5.15	-122.29
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215264	1	45	-2.0	-121.12	388.95	8.93	-112.19
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C1	REAL300013215265	1	45	-2.0	-128.39	370.78	6.69	-121.70
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215266	1	42	-2.0	-125.98	353.86	7.44	-118.54
O=C([O-])C1N(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCC1(F)F	REAL300013215267	1	39	-2.0	-125.68	342.21	5.97	-119.71
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215268	1	45	-2.0	-120.32	394.77	6.92	-113.40
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215269	1	42	-2.0	-120.26	379.18	5.75	-114.51
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215270	1	42	-2.0	-121.91	360.11	6.60	-115.31
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215271	1	42	-2.0	-120.26	379.18	5.75	-114.51
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215272	1	46	-2.0	-134.29	368.83	7.22	-127.07
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1=CC=C(O)C=C1	REAL300013215273	1	43	-2.0	-125.35	376.86	3.12	-122.23
COCCCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215274	1	45	-2.0	-121.50	385.10	3.65	-117.85
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215275	1	44	-2.0	-112.83	364.51	6.92	-105.91
CCOCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215276	1	42	-2.0	-123.53	363.64	3.03	-120.50
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215277	1	47	-2.0	-122.28	380.51	6.29	-115.99
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C1CCCCO1	REAL300013215278	1	46	-2.0	-126.71	378.66	3.97	-122.74
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCOCC3)S2)CC2=CC=CC=C2C1	REAL300013215279	1	46	-2.0	-132.04	384.05	7.04	-125.00
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)[C@@H]1C(=O)[O-]	REAL300013215280	1	43	-2.0	-130.97	353.62	5.41	-125.56
N#CCCC(NC(=O)[N-]C1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215281	1	39	-2.0	-113.99	350.54	4.38	-109.61
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215282	1	42	-2.0	-118.63	370.63	7.07	-111.56
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300013215283	1	38	-2.0	-110.91	322.58	5.07	-105.84
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C1	REAL300013215284	1	46	-2.0	-131.26	385.66	5.79	-125.47
O=C([O-])C1CC(NC(=O)NC2=CN(CC3CC3)N=C2)(C(=O)[O-])C1	REAL300013215496	0	39	-2.0	-122.31	334.43	6.00	-116.31
CC(C)CN1C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013215753	0	41	-2.0	-122.15	344.44	5.97	-116.18
O=C([O-])C1CC(NC(=O)NC2=CN(CC3=CC=C(Cl)C=C3)N=C2)(C(=O)[O-])C1	REAL300013216002	0	42	-2.0	-122.67	379.75	7.96	-114.71
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(COC)C(=O)[O-])=N2	REAL300013216034	1	53	-2.0	-129.13	403.48	6.85	-122.28
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1	REAL300013216035	1	56	-2.0	-116.79	425.29	8.87	-107.92
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N2	REAL300013216036	1	55	-2.0	-121.96	417.29	10.62	-111.34
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013216037	1	50	-2.0	-122.22	386.40	9.69	-112.53
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOC1)=N2	REAL300013216038	1	51	-2.0	-125.25	386.76	5.70	-119.55
C=CCOCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216039	1	54	-2.0	-126.63	427.72	7.02	-119.61
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)C1C(=O)[O-])=N2	REAL300013216040	1	54	-2.0	-143.56	404.51	7.31	-136.25
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216041	1	53	-2.0	-122.51	411.12	8.40	-114.11
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)CC1C(=O)[O-])=N2	REAL300013216042	1	56	-2.0	-139.93	407.79	11.08	-128.85
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N2	REAL300013216043	1	52	-2.0	-123.56	395.28	7.78	-115.78
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013216044	1	53	-2.0	-138.81	393.71	10.65	-128.16
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013216045	1	51	-2.0	-131.07	393.79	10.69	-120.38
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013216046	1	56	-2.0	-131.42	410.63	9.40	-122.02
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C(=O)[O-])=N2	REAL300013216047	1	50	-2.0	-132.15	381.71	9.24	-122.91
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013216048	1	53	-2.0	-130.87	396.11	8.31	-122.56
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(=O)[O-])=N2	REAL300013216049	1	43	-2.0	-106.31	338.48	5.40	-100.91
CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216050	1	49	-2.0	-122.94	380.27	7.25	-115.69
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N2	REAL300013216051	1	52	-2.0	-123.56	395.28	7.78	-115.78
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)CC(=O)[O-])=N2	REAL300013216052	1	46	-2.0	-119.48	359.33	8.36	-111.12
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013216053	1	47	-2.0	-126.58	370.22	3.07	-123.51
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013216054	1	47	-2.0	-126.58	370.22	3.07	-123.51
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)C(=O)[O-])=N2	REAL300013216055	1	46	-2.0	-107.49	359.27	6.22	-101.27
CCC(C)C(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216056	1	55	-2.0	-124.74	413.30	8.41	-116.33
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)CC(=O)[O-])=N2	REAL300013216057	1	46	-2.0	-119.48	359.33	8.36	-111.12
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013216058	1	53	-2.0	-138.81	393.71	10.65	-128.16
CCCC(C)(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216059	1	55	-2.0	-127.14	406.74	8.32	-118.82
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N2	REAL300013216060	1	52	-2.0	-121.66	391.38	9.67	-111.99
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013216061	1	50	-2.0	-122.22	386.40	9.69	-112.53
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1	REAL300013216062	1	50	-2.0	-120.88	393.96	9.91	-110.97
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N2	REAL300013216063	1	55	-2.0	-121.96	417.29	10.62	-111.34
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N2	REAL300013216064	1	49	-2.0	-104.11	371.85	6.62	-97.49
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1CC1)=N2	REAL300013216065	1	53	-2.0	-129.05	397.94	8.39	-120.66
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013216066	1	56	-2.0	-131.42	410.63	9.40	-122.02
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N2	REAL300013216067	1	52	-2.0	-121.66	391.38	9.67	-111.99
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1	REAL300013216068	1	52	-2.0	-120.71	402.65	10.10	-110.61
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1	REAL300013216069	1	49	-2.0	-120.74	381.15	9.34	-111.40
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013216070	1	47	-2.0	-126.48	370.19	3.07	-123.41
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216071	1	55	-2.0	-125.78	412.36	8.20	-117.58
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)C(=O)[O-])=N2	REAL300013216072	1	46	-2.0	-107.49	359.27	6.22	-101.27
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013216073	1	53	-2.0	-130.87	396.11	8.31	-122.56
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(CC)C(=O)[O-])=N2	REAL300013216074	1	52	-2.0	-126.11	385.24	7.56	-118.55
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N2	REAL300013216075	1	46	-2.0	-107.39	359.12	6.24	-101.15
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1	REAL300013216076	1	49	-2.0	-120.74	381.15	9.34	-111.40
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013216077	1	51	-2.0	-133.87	392.92	5.85	-128.02
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N2	REAL300013216078	1	46	-2.0	-107.50	359.25	6.22	-101.28
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC1)=N2	REAL300013216079	1	47	-2.0	-130.52	365.40	7.37	-123.15
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCOCC1C(=O)[O-])=N2	REAL300013216080	1	51	-2.0	-132.20	384.87	8.26	-123.94
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013216081	1	50	-2.0	-124.86	387.98	7.72	-117.14
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CCOC)CC(=O)[O-])=N2	REAL300013216082	1	53	-2.0	-121.56	412.51	8.52	-113.04
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013216083	1	50	-2.0	-133.12	383.79	8.88	-124.24
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC[C@@H]1C(=O)[O-])=N2	REAL300013216084	1	53	-2.0	-138.83	393.67	10.73	-128.10
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013216085	1	51	-2.0	-131.29	393.67	5.59	-125.70
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N2	REAL300013216086	1	49	-2.0	-113.58	373.71	8.48	-105.10
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013216087	1	50	-2.0	-132.04	381.67	9.26	-122.78
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC1)=N2	REAL300013216088	1	50	-2.0	-130.92	382.22	7.89	-123.03
C=CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216089	1	50	-2.0	-122.75	393.59	7.70	-115.05
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(C)C(=O)[O-])=N2	REAL300013216090	1	53	-2.0	-131.64	398.77	9.81	-121.83
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCCCC1C(=O)[O-])=N2	REAL300013216091	1	56	-2.0	-137.76	408.56	11.45	-126.31
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013216092	1	50	-2.0	-124.86	387.98	7.72	-117.14
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N2	REAL300013216093	1	49	-2.0	-114.23	373.31	8.59	-105.64
CCCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216094	1	55	-2.0	-123.83	424.10	8.77	-115.06
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@]1(C)C(=O)[O-])=N2	REAL300013216095	1	53	-2.0	-131.58	398.81	9.79	-121.79
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013216096	1	56	-2.0	-121.38	417.48	10.91	-110.47
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(COC)C(=O)[O-])=N2	REAL300013216097	1	50	-2.0	-125.61	392.96	5.47	-120.14
CCCCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216098	1	58	-2.0	-123.87	445.60	9.56	-114.31
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2	REAL300013216099	1	55	-2.0	-125.45	410.29	8.36	-117.09
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCC1)=N2	REAL300013216100	1	56	-2.0	-132.46	408.68	10.18	-122.28
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C(C)C(=O)[O-])C1CC1)=N2	REAL300013216101	1	53	-2.0	-115.60	392.19	9.57	-106.03
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C1CC1	REAL300013216102	1	56	-2.0	-118.26	415.94	11.25	-107.01
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1	REAL300013216103	1	52	-2.0	-120.71	402.65	10.10	-110.61
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C(C)C(=O)[O-])C1CCC1)=N2	REAL300013216104	1	56	-2.0	-113.18	415.10	10.43	-102.75
CCCN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(CC)C(=O)[O-]	REAL300013216105	1	58	-2.0	-125.18	430.04	12.04	-113.14
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(=O)[O-])=N2	REAL300013216106	1	43	-2.0	-106.31	338.48	5.40	-100.91
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N2	REAL300013216107	1	55	-2.0	-124.93	419.78	8.54	-116.39
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOCC1)=N2	REAL300013216108	1	54	-2.0	-126.74	402.02	6.91	-119.83
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216109	1	53	-2.0	-123.53	415.42	8.56	-114.97
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CF)C(=O)[O-])=N2	REAL300013216110	1	46	-2.0	-107.00	362.89	6.24	-100.76
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC)(CC)C(=O)[O-])=N2	REAL300013216111	1	55	-2.0	-128.28	401.92	8.45	-119.83
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC)(COC)C(=O)[O-])=N2	REAL300013216112	1	56	-2.0	-131.12	420.16	7.75	-123.37
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013216113	1	53	-2.0	-124.60	412.70	8.80	-115.80
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CCOC)C(=O)[O-])=N2	REAL300013216114	1	53	-2.0	-121.33	414.77	6.29	-115.04
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N2	REAL300013216115	1	49	-2.0	-117.93	390.88	7.78	-110.15
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N2	REAL300013216116	1	49	-2.0	-117.89	386.86	7.39	-110.50
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N2	REAL300013216117	1	52	-2.0	-120.63	391.83	7.70	-112.93
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N2	REAL300013216118	1	49	-2.0	-113.52	374.27	8.58	-104.94
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])C3)=N2	REAL300013216119	1	51	-2.0	-136.75	388.06	9.82	-126.93
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2	REAL300013216120	1	55	-2.0	-125.45	410.29	8.36	-117.09
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216121	1	50	-2.0	-120.63	409.54	8.32	-112.31
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216122	1	53	-2.0	-123.14	414.95	8.42	-114.72
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C3CCC1(C(=O)[O-])CC3)=N2	REAL300013216123	1	54	-2.0	-136.37	401.61	10.57	-125.80
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])=N2	REAL300013216124	1	51	-2.0	-130.86	393.69	5.58	-125.28
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013216125	1	50	-2.0	-126.33	388.16	9.34	-116.99
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C(C)(C)CC)CC3)S2)C1	REAL300013216126	1	51	-2.0	-133.22	394.93	9.69	-123.53
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N2	REAL300013216127	1	55	-2.0	-124.93	419.78	8.54	-116.39
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013216128	1	53	-2.0	-124.60	412.70	8.80	-115.80
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N2	REAL300013216129	1	50	-2.0	-127.77	389.26	4.13	-123.64
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CSC)C(=O)[O-])=N2	REAL300013216130	1	50	-2.0	-123.46	403.90	7.69	-115.77
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](COC)C(=O)[O-])=N2	REAL300013216131	1	50	-2.0	-125.48	392.93	5.48	-120.00
CC[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216132	1	49	-2.0	-122.96	381.12	7.23	-115.73
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216133	1	58	-2.0	-126.14	438.04	9.22	-116.92
C=CCCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216134	1	56	-2.0	-123.65	436.92	9.34	-114.31
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013216135	1	51	-2.0	-131.07	393.79	10.69	-120.38
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013216136	1	50	-2.0	-133.12	383.79	8.88	-124.24
CCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216137	1	52	-2.0	-123.48	401.77	8.03	-115.45
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N2	REAL300013216138	1	52	-2.0	-124.69	398.12	7.80	-116.89
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])=N2	REAL300013216139	1	54	-2.0	-139.31	404.49	10.95	-128.36
CCN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(C)(C)C(=O)[O-]	REAL300013216140	1	55	-2.0	-128.85	406.88	10.25	-118.60
CCCN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(C)C(=O)[O-]	REAL300013216141	1	55	-2.0	-123.90	415.33	11.18	-112.72
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216142	1	52	-2.0	-123.63	402.58	8.00	-115.63
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])=N2	REAL300013216143	1	54	-2.0	-133.69	405.15	10.33	-123.36
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N2	REAL300013216144	1	52	-2.0	-127.72	388.39	9.38	-118.34
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013216145	1	50	-2.0	-132.04	381.67	9.26	-122.78
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216147	1	58	-2.0	-126.14	438.04	9.22	-116.92
C#CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216148	1	48	-2.0	-122.72	386.54	7.66	-115.06
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N2	REAL300013216149	1	49	-2.0	-114.23	373.31	8.59	-105.64
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])=N2	REAL300013216150	1	56	-2.0	-124.85	433.79	9.13	-115.72
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N2	REAL300013216151	1	58	-2.0	-118.09	432.46	10.96	-107.13
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216153	1	53	-2.0	-123.53	415.42	8.56	-114.97
CC#CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216154	1	51	-2.0	-124.88	409.20	8.60	-116.28
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@]1(C)C(=O)[O-])=N2	REAL300013216155	1	53	-2.0	-131.63	398.78	9.79	-121.84
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N2	REAL300013216156	1	52	-2.0	-124.50	393.77	7.56	-116.94
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N2	REAL300013216157	1	49	-2.0	-113.52	374.27	8.58	-104.94
CCC[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216158	1	52	-2.0	-123.52	402.58	8.00	-115.52
CCN(C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(C)C(=O)[O-]	REAL300013216159	1	52	-2.0	-116.12	392.73	9.43	-106.69
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013216160	1	56	-2.0	-121.38	417.48	10.91	-110.47
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216161	1	55	-2.0	-125.78	412.36	8.20	-117.58
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1	REAL300013216162	1	52	-2.0	-114.29	394.21	9.56	-104.73
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(CO)C1)=N2	REAL300013216163	1	54	-2.0	-133.54	414.51	5.18	-128.36
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC(C)C1)=N2	REAL300013216164	1	56	-2.0	-131.52	416.28	8.95	-122.57
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CCOC)C(=O)[O-])=N2	REAL300013216165	1	53	-2.0	-121.33	414.77	6.29	-115.04
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C)(C)C1)=N2	REAL300013216166	1	56	-2.0	-132.91	418.67	9.60	-123.31
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1(C)CC1)=N2	REAL300013216167	1	53	-2.0	-127.36	402.53	8.57	-118.79
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])=N2	REAL300013216168	1	51	-2.0	-139.28	392.37	5.77	-133.51
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOC1)=N2	REAL300013216169	1	54	-2.0	-122.09	408.38	6.18	-115.91
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])=N2	REAL300013216170	1	54	-2.0	-136.18	403.86	10.36	-125.82
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])CO3)=N2	REAL300013216171	1	52	-2.0	-131.72	395.56	8.04	-123.68
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(C)CCC1C(=O)[O-])=N2	REAL300013216172	1	56	-2.0	-139.46	414.54	11.22	-128.24
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CC1)=N2	REAL300013216173	1	50	-2.0	-127.55	388.74	9.11	-118.44
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013216174	1	53	-2.0	-126.42	401.24	8.21	-118.21
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013216175	1	53	-2.0	-126.42	401.24	8.21	-118.21
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)C1C(=O)[O-])=N2	REAL300013216176	1	53	-2.0	-133.18	395.45	9.80	-123.38
C=CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216177	1	50	-2.0	-122.75	393.59	7.70	-115.05
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(OC)C1)=N2	REAL300013216178	1	54	-2.0	-127.28	413.97	6.75	-120.53
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)=N2	REAL300013216179	1	54	-2.0	-133.62	414.37	7.16	-126.46
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(CC)C(=O)[O-])=N2	REAL300013216180	1	56	-2.0	-133.67	412.44	10.73	-122.94
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])COC1)=N2	REAL300013216181	1	48	-2.0	-122.04	373.12	4.93	-117.11
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N2	REAL300013216182	1	55	-2.0	-127.69	401.97	8.25	-119.44
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013216183	1	51	-2.0	-137.62	389.01	10.43	-127.19
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013216184	1	54	-2.0	-136.49	404.84	10.03	-126.46
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1	REAL300013216185	1	55	-2.0	-126.38	409.96	10.89	-115.49
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013216186	1	50	-2.0	-126.33	388.16	9.34	-116.99
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C3C=CC(C3)C1C(=O)[O-])=N2	REAL300013216187	1	52	-2.0	-131.37	398.19	10.08	-121.29
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C)C1C(=O)[O-])=N2	REAL300013216188	1	56	-2.0	-135.15	414.03	10.20	-124.95
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N2	REAL300013216189	1	58	-2.0	-124.22	440.84	9.32	-114.90
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N2	REAL300013216190	1	50	-2.0	-128.14	391.04	4.01	-124.13
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013216191	1	47	-2.0	-126.48	370.19	3.07	-123.41
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3CC31)=N2	REAL300013216192	1	54	-2.0	-133.01	403.59	9.14	-123.87
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCC1)=N2	REAL300013216193	1	56	-2.0	-127.30	417.30	8.77	-118.53
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N2	REAL300013216194	1	53	-2.0	-126.29	411.08	6.47	-119.82
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)=N2	REAL300013216195	1	53	-2.0	-132.46	400.27	8.72	-123.74
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(C)(C)CC1C(=O)[O-])=N2	REAL300013216196	1	56	-2.0	-131.41	421.96	10.10	-121.31
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CCCOC)C(=O)[O-])=N2	REAL300013216197	1	56	-2.0	-124.46	435.44	7.09	-117.37
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1	REAL300013216198	1	55	-2.0	-116.17	415.14	10.29	-105.88
CCOCC(NC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013216199	1	53	-2.0	-126.70	414.33	6.45	-120.25
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N2	REAL300013216200	1	58	-2.0	-125.29	431.97	9.65	-115.64
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])=N2	REAL300013216201	1	54	-2.0	-134.61	405.10	8.95	-125.66
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N2	REAL300013216202	1	50	-2.0	-116.69	401.95	7.73	-108.96
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N2	REAL300013216203	1	49	-2.0	-113.58	373.71	8.48	-105.10
COCC1=CC=NC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013216414	0	38	-2.0	-128.85	332.48	5.39	-123.46
CC(C1CC1)N1C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013216713	0	42	-2.0	-121.69	353.32	6.50	-115.19
COC1=CC=C(CN2C=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=N2)C=C1	REAL300013216976	0	46	-2.0	-124.63	392.52	6.74	-117.89
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3CC3)=N2)(C(=O)[O-])C1	REAL300013217220	0	38	-2.0	-127.67	325.38	7.58	-120.09
CC1=CC=NC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C1CC1	REAL300013217519	0	41	-2.0	-130.64	340.71	8.41	-122.23
COCCC1=CC=NC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013217820	0	41	-2.0	-127.68	353.98	6.16	-121.52
O=C([O-])CN(C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C1CC1	REAL300013217870	1	52	-2.0	-115.35	396.64	10.84	-104.51
CC(C)C(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217871	1	54	-2.0	-117.72	408.37	8.96	-108.76
O=C([O-])C1CCCN1C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217872	1	52	-2.0	-125.80	391.96	10.36	-115.44
O=C([O-])CNC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217873	1	45	-2.0	-101.94	348.71	6.55	-95.39
CCC(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217874	1	51	-2.0	-116.23	391.33	8.38	-107.85
CC(C)C(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217875	1	54	-2.0	-117.72	408.37	8.96	-108.76
CN(CC(=O)[O-])C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217876	1	48	-2.0	-113.15	369.56	9.51	-103.64
O=C([O-])C(CO)NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217877	1	49	-2.0	-120.06	380.80	4.27	-115.79
O=C([O-])C(CO)NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217878	1	49	-2.0	-120.06	380.80	4.27	-115.79
CC(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217879	1	48	-2.0	-103.17	369.81	7.33	-95.84
CN(CC(=O)[O-])C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217880	1	48	-2.0	-113.15	369.56	9.51	-103.64
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217881	1	54	-2.0	-114.94	401.60	10.83	-104.11
O=C([O-])CN(C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C1CC1	REAL300013217882	1	52	-2.0	-115.35	396.64	10.84	-104.51
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217883	1	52	-2.0	-120.86	404.18	11.06	-109.80
CC(C)(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217884	1	51	-2.0	-100.77	382.08	7.76	-93.01
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217885	1	54	-2.0	-114.94	401.60	10.83	-104.11
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217886	1	54	-2.0	-120.79	412.87	11.25	-109.54
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217887	1	51	-2.0	-114.10	391.37	10.49	-103.61
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217888	1	49	-2.0	-121.36	380.94	4.21	-117.15
CC(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217889	1	48	-2.0	-103.17	369.81	7.33	-95.84
CCC(C)(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217890	1	54	-2.0	-118.93	395.47	8.67	-110.26
C[C@H](NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217891	1	48	-2.0	-103.42	369.50	7.37	-96.05
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217892	1	51	-2.0	-114.10	391.37	10.49	-103.61
C[C@@H](NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217893	1	48	-2.0	-102.99	369.50	7.37	-95.62
O=C([O-])C1(NC(=O)[N-]C2=NC(CC34CC5CC(CC(C5)C3)C4)=CS2)CC1	REAL300013217894	1	49	-2.0	-122.32	375.67	8.47	-113.85
O=C([O-])C(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C1CC1	REAL300013217895	1	52	-2.0	-118.94	397.73	8.88	-110.06
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217896	1	52	-2.0	-124.75	392.69	10.12	-114.63
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217897	1	51	-2.0	-107.88	384.48	9.73	-98.15
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217898	1	52	-2.0	-126.13	392.66	10.13	-116.00
O=C([O-])C1(NC(=O)[N-]C2=NC(CC34CC5CC(CC(C5)C3)C4)=CS2)CCC1	REAL300013217899	1	52	-2.0	-122.97	392.49	8.99	-113.98
C=CCC(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217900	1	52	-2.0	-116.23	404.37	8.90	-107.33
O=C([O-])C(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C1CC1	REAL300013217901	1	52	-2.0	-118.94	397.73	8.88	-110.06
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217902	1	51	-2.0	-107.85	383.96	9.63	-98.22
COCC(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217903	1	52	-2.0	-119.14	403.05	6.67	-112.47
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217904	1	54	-2.0	-120.79	412.87	11.25	-109.54
O=C([O-])CNC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217905	1	45	-2.0	-101.94	348.71	6.55	-95.39
O=C([O-])C(CF)NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217906	1	48	-2.0	-102.57	373.43	7.36	-95.21
O=C([O-])C(CCF)NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217907	1	51	-2.0	-111.44	397.92	8.52	-102.92
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217908	1	51	-2.0	-108.73	383.96	9.63	-99.10
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217909	1	52	-2.0	-117.14	397.61	5.49	-111.65
COC[C@H](NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217910	1	52	-2.0	-120.36	403.20	6.62	-113.74
CC[C@H](NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217911	1	51	-2.0	-117.49	391.34	8.38	-109.11
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217912	1	52	-2.0	-124.75	392.69	10.12	-114.63
CCCC(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217913	1	54	-2.0	-116.76	412.83	9.15	-107.61
CC(C)[C@@H](NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217914	1	54	-2.0	-117.05	406.45	8.99	-108.06
CCC[C@@H](NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217915	1	54	-2.0	-116.79	412.83	9.16	-107.63
CN(C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(C)(C)C(=O)[O-]	REAL300013217916	1	54	-2.0	-120.44	398.61	10.50	-109.94
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217917	1	52	-2.0	-126.13	392.66	10.13	-116.00
C#CCC(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217918	1	50	-2.0	-116.10	397.60	8.79	-107.31
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217919	1	51	-2.0	-107.85	383.96	9.63	-98.22
CC(C)[C@H](NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217920	1	54	-2.0	-118.45	406.45	8.99	-109.46
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217921	1	51	-2.0	-108.73	383.96	9.63	-99.10
CCC[C@H](NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217922	1	54	-2.0	-118.02	412.84	9.15	-108.87
CCN(C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(C)C(=O)[O-]	REAL300013217923	1	54	-2.0	-108.95	401.13	10.53	-98.42
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217924	1	54	-2.0	-110.26	403.87	10.67	-99.59
CN(C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C1(C(=O)[O-])CC1	REAL300013217925	1	52	-2.0	-121.23	398.96	10.26	-110.97
C=CCC(NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217926	1	52	-2.0	-116.23	404.37	8.90	-107.33
O=C([O-])C1(NC(=O)[N-]C2=NC(CC34CC5CC(CC(C5)C3)C4)=CS2)COC1	REAL300013217927	1	50	-2.0	-114.90	383.28	6.02	-108.88
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013217928	1	52	-2.0	-113.61	395.28	4.92	-108.69
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217929	1	49	-2.0	-121.36	380.94	4.21	-117.15
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013217930	1	51	-2.0	-107.88	384.48	9.73	-98.15
C=CCN(C(=O)[N-]C1=NC(CCC)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013217931	1	47	-2.0	-105.31	394.71	10.43	-94.88
CCCC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300013217932	1	40	-2.0	-115.20	370.19	7.20	-108.00
CCCC1=CSC([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300013217933	1	46	-2.0	-119.54	398.55	8.94	-110.60
CCCC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013217934	1	46	-2.0	-115.59	376.70	7.07	-108.52
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013217935	1	43	-2.0	-116.26	367.61	9.63	-106.63
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300013217936	1	40	-2.0	-120.16	353.72	6.69	-113.47
CCCC1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013217937	1	33	-2.0	-106.68	312.06	4.64	-102.04
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300013217938	1	43	-2.0	-123.06	378.50	8.22	-114.84
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300013217939	1	38	-2.0	-113.10	323.58	5.66	-107.44
CCCC1=CSC([N-]C(=O)NC(C)(COC)C(=O)[O-])=N1	REAL300013217940	1	37	-2.0	-117.28	318.75	3.43	-113.85
CCCC1=CSC([N-]C(=O)N(C)C(COCC)C(=O)[O-])=N1	REAL300013217941	1	40	-2.0	-107.36	340.87	5.46	-101.90
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])C(CC)C2=CC=CC=C2)=N1	REAL300013217942	1	46	-2.0	-116.40	382.52	9.66	-106.74
CCCC1=CSC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300013217943	1	36	-2.0	-108.03	336.04	7.11	-100.92
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013217944	1	43	-2.0	-116.67	349.44	6.15	-110.52
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013217945	1	38	-2.0	-116.98	343.32	3.17	-113.81
CCCC1=CSC([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])=N1	REAL300013217946	1	44	-2.0	-108.75	368.03	6.86	-101.89
CCCC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=N1	REAL300013217947	1	44	-2.0	-128.29	371.79	10.22	-118.07
C=CCOCC(NC(=O)[N-]C1=NC(CCC)=CS1)C(=O)[O-]	REAL300013217948	1	38	-2.0	-116.29	342.85	3.70	-112.59
CCCC1=CSC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013217949	1	38	-2.0	-130.02	316.72	4.66	-125.36
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013217950	1	41	-2.0	-115.86	340.30	3.73	-112.13
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300013217951	1	37	-2.0	-110.08	345.26	6.06	-104.02
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300013217952	1	37	-2.0	-110.66	354.90	6.59	-104.07
CCCC1=CSC([N-]C(=O)N2CCC(OC)CC2C(=O)[O-])=N1	REAL300013217953	1	41	-2.0	-124.41	341.46	6.21	-118.20
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300013217954	1	41	-2.0	-112.47	340.26	3.76	-108.71
CCCC1=CSC([N-]C(=O)N2CCC(C)CC2C(=O)[O-])=N1	REAL300013217955	1	40	-2.0	-125.97	323.15	7.59	-118.38
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=N1	REAL300013217956	1	40	-2.0	-113.08	359.24	6.64	-106.44
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300013217957	1	42	-2.0	-118.56	367.84	5.83	-112.73
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300013217958	1	43	-2.0	-122.30	375.33	7.26	-115.04
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=N1	REAL300013217959	1	43	-2.0	-121.87	370.73	7.22	-114.65
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)=N1	REAL300013217960	1	42	-2.0	-117.53	372.18	3.10	-114.43
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)=N1	REAL300013217961	1	41	-2.0	-116.23	377.84	5.88	-110.35
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013217962	1	37	-2.0	-113.03	349.04	6.54	-106.49
CCCC1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013217963	1	35	-2.0	-117.39	309.05	7.25	-110.14
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013217964	1	40	-2.0	-119.47	325.89	5.99	-113.48
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300013217965	1	43	-2.0	-119.92	331.55	6.64	-113.28
CCCC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013217966	1	40	-2.0	-114.40	354.75	6.88	-107.52
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013217967	1	40	-2.0	-116.04	355.41	8.98	-107.06
CCCC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013217968	1	37	-2.0	-119.88	332.31	6.02	-113.86
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013217969	1	37	-2.0	-119.81	331.90	5.97	-113.84
CCCC1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013217970	1	40	-2.0	-114.40	354.75	6.88	-107.52
CCCC1=CSC([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300013217971	1	41	-2.0	-126.94	347.40	9.44	-117.50
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300013217972	1	34	-2.0	-116.91	324.17	5.02	-111.89
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013217973	1	40	-2.0	-119.47	325.89	5.99	-113.48
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=N1	REAL300013217974	1	40	-2.0	-110.89	372.14	9.50	-101.39
CCCC1=CSC([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013217975	1	44	-2.0	-120.01	382.99	6.97	-113.04
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=N1	REAL300013217976	1	48	-2.0	-120.22	414.41	7.59	-112.63
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300013217977	1	37	-2.0	-113.06	353.61	6.64	-106.42
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300013217978	1	40	-2.0	-110.56	361.82	9.05	-101.51
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013217979	1	41	-2.0	-122.60	350.47	7.03	-115.57
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300013217980	1	37	-2.0	-118.70	342.59	6.12	-112.58
CCCC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013217981	1	40	-2.0	-121.74	340.63	6.65	-115.09
CCCCCCC(C)(NC(=O)[N-]C1=NC(CCC)=CS1)C(=O)[O-]	REAL300013217982	1	48	-2.0	-116.00	386.50	7.23	-108.77
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)=N1	REAL300013217983	1	41	-2.0	-117.63	377.48	6.84	-110.79
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013217984	1	37	-2.0	-113.03	349.04	6.54	-106.49
CCCC1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013217985	1	43	-2.0	-118.97	337.30	7.74	-111.23
CCCC1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013217986	1	43	-2.0	-115.90	377.82	9.76	-106.14
CCCC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013217987	1	40	-2.0	-113.92	341.51	7.82	-106.10
CCCC1=CSC([N-]C(=O)N(CCOC)CC(=O)[O-])=N1	REAL300013217988	1	37	-2.0	-114.35	327.80	5.15	-109.20
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300013217989	1	41	-2.0	-126.67	347.22	6.91	-119.76
CCCC1=CSC([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013217990	1	44	-2.0	-119.91	388.45	6.88	-113.03
CCCC1=CSC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013217991	1	40	-2.0	-124.27	323.98	7.87	-116.40
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300013217992	1	38	-2.0	-118.94	343.33	3.16	-115.78
CCCC1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013217993	1	43	-2.0	-115.90	377.82	9.76	-106.14
CCCC1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013217994	1	43	-2.0	-118.97	337.30	7.74	-111.23
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013217995	1	40	-2.0	-114.39	332.75	7.54	-106.85
CCCCCC(NC(=O)[N-]C1=NC(CCC)=CS1)C(=O)[O-]	REAL300013217996	1	42	-2.0	-112.46	360.62	6.25	-106.21
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(CC)CC2)=N1	REAL300013217997	1	46	-2.0	-119.65	364.95	7.24	-112.41
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013217998	1	41	-2.0	-114.21	341.17	5.87	-108.34
CCCC1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)=N1	REAL300013217999	1	40	-2.0	-123.04	325.28	7.06	-115.98
CCCC1=CSC([N-]C(=O)N(C(CC)C(=O)[O-])C2CC2)=N1	REAL300013218000	1	40	-2.0	-108.19	330.93	7.72	-100.47
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300013218001	1	37	-2.0	-120.02	342.64	6.36	-113.66
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300013218002	1	37	-2.0	-123.81	336.70	6.10	-117.71
CCCC1=CSC([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013218003	1	41	-2.0	-119.27	349.48	8.70	-110.57
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=N1	REAL300013218004	1	43	-2.0	-121.35	365.32	7.06	-114.29
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=N1	REAL300013218005	1	41	-2.0	-116.39	368.03	5.39	-111.00
CCCC1=CSC([N-]C(=O)N(C(COC)C(=O)[O-])C2CC2)=N1	REAL300013218006	1	41	-2.0	-106.03	344.91	7.25	-98.78
CCCC1=CSC([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)=N1	REAL300013218007	1	40	-2.0	-106.29	330.42	7.11	-99.18
CCCC1=CSC([N-]C(=O)N(CCC)C(COC)C(=O)[O-])=N1	REAL300013218008	1	43	-2.0	-110.39	356.63	6.38	-104.01
CCCC1=CSC([N-]C(=O)N(CCC)C(CC)C(=O)[O-])=N1	REAL300013218009	1	42	-2.0	-106.52	344.17	7.59	-98.93
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013218010	1	38	-2.0	-115.09	317.31	3.50	-111.59
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)=N1	REAL300013218011	1	41	-2.0	-117.43	361.81	5.32	-112.11
CCCC1=CSC([N-]C(=O)NC(CC)(COC)C(=O)[O-])=N1	REAL300013218012	1	40	-2.0	-119.30	335.42	4.34	-114.96
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)=N1	REAL300013218013	1	40	-2.0	-114.19	342.35	1.98	-112.21
CCCC1=CSC([N-]C(=O)NC(CCOC)C(=O)[O-])=N1	REAL300013218014	1	37	-2.0	-110.40	330.04	2.92	-107.48
CCCC1=CSC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013218015	1	33	-2.0	-107.82	306.98	4.39	-103.43
CCCC1=CSC([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013218016	1	43	-2.0	-116.79	373.97	8.02	-108.77
CCCC1=CSC([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013218017	1	43	-2.0	-123.10	357.24	7.50	-115.60
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)=N1	REAL300013218018	1	47	-2.0	-119.05	381.89	5.15	-113.90
CCCC1=CSC([N-]C(=O)NC(CC2(OC)CCC2)C(=O)[O-])=N1	REAL300013218019	1	44	-2.0	-116.97	366.46	5.29	-111.68
CCCC1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300013218020	1	44	-2.0	-116.20	370.98	7.11	-109.09
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013218021	1	41	-2.0	-114.21	341.17	5.87	-108.34
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300013218022	1	43	-2.0	-115.68	350.12	8.24	-107.44
CCCC1=CSC([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)=N1	REAL300013218023	1	43	-2.0	-120.15	339.69	6.36	-113.79
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300013218024	1	41	-2.0	-121.55	362.05	5.23	-116.32
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)=N1	REAL300013218025	1	37	-2.0	-119.32	346.62	6.47	-112.85
CCCC1=CSC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013218026	1	36	-2.0	-109.46	307.10	4.29	-105.17
CCCC1=CSC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300013218027	1	38	-2.0	-115.74	332.12	6.88	-108.86
CCCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300013218028	1	41	-2.0	-121.70	362.00	5.23	-116.47
CCCC1=CSC([N-]C(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])=N1	REAL300013218029	1	43	-2.0	-120.47	363.72	7.83	-112.64
CCCC1=CSC([N-]C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])=N1	REAL300013218030	1	44	-2.0	-116.19	384.30	6.19	-110.00
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300013218031	1	46	-2.0	-121.36	353.80	6.85	-114.51
CCCC1=CSC([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=N1	REAL300013218032	1	43	-2.0	-113.74	374.68	7.50	-106.24
CCCC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300013218033	1	42	-2.0	-121.08	368.83	7.32	-113.76
CCCC1=CSC([N-]C(=O)N2CC(OC)CC2(C)C(=O)[O-])=N1	REAL300013218034	1	41	-2.0	-119.47	347.28	5.36	-114.11
CCCC1=CSC([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300013218035	1	44	-2.0	-115.11	363.54	5.37	-109.74
C=C(Cl)CC(NC(=O)[N-]C1=NC(CCC)=CS1)C(=O)[O-]	REAL300013218036	1	34	-2.0	-110.18	324.60	5.05	-105.13
CCCC1=CSC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013218037	1	38	-2.0	-123.55	316.87	7.13	-116.42
CCCC1=CSC([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013218038	1	43	-2.0	-113.56	364.35	7.05	-106.51
CCCC1=CSC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013218039	1	34	-2.0	-109.92	309.93	5.99	-103.93
CCCC1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013218040	1	34	-2.0	-114.92	303.44	5.94	-108.98
CCCC1=CSC([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300013218041	1	44	-2.0	-113.40	367.83	4.68	-108.72
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013218042	1	41	-2.0	-115.86	340.30	3.73	-112.13
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013218043	1	37	-2.0	-119.81	331.90	5.97	-113.84
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300013218044	1	40	-2.0	-114.85	371.04	7.01	-107.84
CCCC1=CSC([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])=N1	REAL300013218045	1	36	-2.0	-112.30	341.35	4.04	-108.26
CCCC1=CSC([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])=N1	REAL300013218046	1	45	-2.0	-112.83	378.19	6.77	-106.06
CCCC1=CSC([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300013218047	1	43	-2.0	-117.64	384.67	7.29	-110.35
CCCC1=CSC([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300013218048	1	41	-2.0	-119.44	352.56	4.24	-115.20
CCCC1=CSC([N-]C(=O)NC(CSC)C(=O)[O-])=N1	REAL300013218049	1	34	-2.0	-112.42	319.83	4.28	-108.14
CCCC1=CSC([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013218050	1	40	-2.0	-110.13	361.20	6.94	-103.19
CCCC1=CSC([N-]C(=O)NC(CC(C)CC)C(=O)[O-])=N1	REAL300013218051	1	42	-2.0	-113.65	353.06	5.89	-107.76
C=CCCCC(NC(=O)[N-]C1=NC(CCC)=CS1)C(=O)[O-]	REAL300013218052	1	40	-2.0	-112.32	351.94	6.04	-106.28
CCCC1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013218053	1	40	-2.0	-110.25	361.15	6.94	-103.31
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=N1	REAL300013218054	1	43	-2.0	-127.93	373.26	8.09	-119.84
CCCC1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013218055	1	35	-2.0	-117.39	309.05	7.25	-110.14
CCCC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013218056	1	40	-2.0	-121.74	340.63	6.65	-115.09
CCCC1=CSC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013218057	1	38	-2.0	-125.97	319.68	7.49	-118.48
CCCC1=CSC([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013218058	1	42	-2.0	-113.64	354.23	7.46	-106.18
CCCC1=CSC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013218059	1	38	-2.0	-126.65	321.06	6.90	-119.75
CCCC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013218060	1	37	-2.0	-119.88	332.31	6.02	-113.86
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300013218061	1	40	-2.0	-111.37	371.05	7.02	-104.35
CCCC1=CSC([N-]C(=O)NC(CC(C)CC)C(=O)[O-])=N1	REAL300013218064	1	42	-2.0	-113.65	353.06	5.89	-107.76
CCCC1=CSC([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])=N1	REAL300013218065	1	43	-2.0	-112.00	360.22	8.92	-103.08
CCCC1=CSC([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])=N1	REAL300013218066	1	40	-2.0	-113.90	349.01	5.77	-108.13
CCCC1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013218067	1	39	-2.0	-111.40	349.93	5.11	-106.29
CCCC1=CSC([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])=N1	REAL300013218068	1	43	-2.0	-108.32	361.75	6.31	-102.01
CCCC1=CSC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N1	REAL300013218069	1	42	-2.0	-107.57	349.21	7.71	-99.86
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1	REAL300013218070	1	36	-2.0	-123.05	328.67	4.43	-118.62
CCCC1=CSC([N-]C(=O)N2CCCC2(CCC)C(=O)[O-])=N1	REAL300013218071	1	43	-2.0	-122.83	351.52	8.31	-114.52
CCCC1=CSC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013218072	1	43	-2.0	-111.84	359.57	8.82	-103.02
CCCC1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013218075	1	39	-2.0	-111.40	349.93	5.11	-106.29
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300013218076	1	36	-2.0	-116.50	327.19	4.22	-112.28
CCCC1=CSC([N-]C(=O)N2CCCC2(COC)C(=O)[O-])=N1	REAL300013218077	1	41	-2.0	-121.53	342.53	6.58	-114.95
CCCC1=CSC([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=N1	REAL300013218078	0	41	-2.0	-123.76	350.91	9.83	-113.93
CCCC1=CSC([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])=N1	REAL300013218079	0	44	-2.0	-118.28	361.62	9.31	-108.97
CCCC1=CSC([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013218080	1	42	-2.0	-112.18	371.82	5.91	-106.27
CCCC1=CSC([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300013218081	1	36	-2.0	-113.49	341.31	3.88	-109.61
CCCC1=CSC([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300013218082	1	37	-2.0	-106.41	360.84	5.70	-100.71
CCCC1=CSC([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=N1	REAL300013218083	1	38	-2.0	-114.47	325.46	5.17	-109.30
CCCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013218084	1	37	-2.0	-120.14	332.49	5.94	-114.20
CCCC1=CSC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300013218085	1	40	-2.0	-120.57	346.33	5.22	-115.35
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013218086	1	40	-2.0	-114.39	332.75	7.54	-106.85
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013218087	1	38	-2.0	-120.92	329.78	1.77	-119.15
CCCC1=CSC([N-]C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013218088	1	46	-2.0	-119.65	380.18	10.03	-109.62
CCCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N1	REAL300013218089	1	46	-2.0	-118.58	376.81	5.05	-113.53
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)=N1	REAL300013218090	1	40	-2.0	-119.91	331.40	5.48	-114.43
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300013218091	1	43	-2.0	-121.99	341.91	6.25	-115.74
CCCC1=CSC([N-]C(=O)NC(CCOC)C(=O)[O-])=N1	REAL300013218092	1	37	-2.0	-110.40	330.04	2.92	-107.48
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013218093	1	40	-2.0	-120.11	333.92	6.17	-113.94
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=N1	REAL300013218094	1	47	-2.0	-128.72	381.40	8.22	-120.50
CCCC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N1	REAL300013218095	1	46	-2.0	-118.78	380.41	5.08	-113.70
CCCC1=CSC([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013218096	1	45	-2.0	-124.55	376.92	9.70	-114.85
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013218097	1	38	-2.0	-110.94	323.60	2.80	-108.14
CCCC1=CSC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013218098	1	38	-2.0	-123.74	319.11	6.94	-116.80
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=N1	REAL300013218099	1	41	-2.0	-125.66	364.22	6.08	-119.58
CCCC1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013218100	1	36	-2.0	-119.18	310.81	4.61	-114.57
CCCC1=CSC([N-]C(=O)N2CC(C)CCC2C(=O)[O-])=N1	REAL300013218101	1	40	-2.0	-125.69	329.81	7.78	-117.91
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013218102	1	43	-2.0	-116.05	371.52	7.30	-108.75
CCCC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013218103	1	44	-2.0	-115.21	368.22	7.03	-108.18
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=N1	REAL300013218104	1	50	-2.0	-118.30	389.79	6.56	-111.74
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013218105	1	43	-2.0	-116.67	349.44	6.15	-110.52
CCCC1=CSC([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300013218106	1	44	-2.0	-116.80	368.60	5.60	-111.20
CCCC1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300013218107	1	44	-2.0	-129.75	348.52	8.07	-121.68
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=N1	REAL300013218108	1	44	-2.0	-116.19	346.40	4.78	-111.41
CCCC1=CSC([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013218109	1	43	-2.0	-116.45	392.74	8.21	-108.24
CCCC1=CSC([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])=N1	REAL300013218110	1	44	-2.0	-120.11	367.11	9.24	-110.87
CCCC1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013218111	1	44	-2.0	-115.21	368.22	7.03	-108.18
CCCC1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013218112	1	40	-2.0	-111.74	360.97	7.01	-104.73
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(OC)C2)=N1	REAL300013218113	1	38	-2.0	-115.40	329.07	3.34	-112.06
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013218114	1	34	-2.0	-112.29	305.92	4.50	-107.79
CCCC1=CSC([N-]C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)=N1	REAL300013218115	1	38	-2.0	-115.13	329.33	3.33	-111.80
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300013218116	1	37	-2.0	-111.22	336.49	5.62	-105.60
CCCC1=CSC([N-]C(=O)N2CCCC2(CC)C(=O)[O-])=N1	REAL300013218117	1	40	-2.0	-121.92	327.45	7.63	-114.29
CCCC1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013218118	1	33	-2.0	-106.68	312.06	4.64	-102.04
CCCC1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013218119	1	41	-2.0	-113.14	350.18	3.88	-109.26
CCCC1=CSC([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300013218120	1	37	-2.0	-112.71	346.99	5.88	-106.83
CCCC1=CSC([N-]C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013218121	1	44	-2.0	-122.92	373.32	5.82	-117.10
CCCC1=CSC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013218122	1	38	-2.0	-123.93	320.07	6.50	-117.43
CCCC1=CSC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013218123	1	43	-2.0	-111.84	359.57	8.82	-103.02
CCCC1=CSC([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])=N1	REAL300013218124	1	44	-2.0	-115.90	393.99	6.48	-109.42
CCCC1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013218125	1	46	-2.0	-115.59	376.70	7.07	-108.52
CCCC1=CSC([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013218126	1	43	-2.0	-114.65	377.77	7.65	-107.00
CCCC1=CSC([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013218127	1	43	-2.0	-114.50	377.77	7.65	-106.85
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300013218128	1	44	-2.0	-118.83	358.65	6.51	-112.32
CCCC1=CSC([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013218129	1	46	-2.0	-115.37	376.46	7.15	-108.22
CCCC1=CSC([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013218130	1	46	-2.0	-115.49	375.87	7.09	-108.40
CCCC1=CSC([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300013218131	1	44	-2.0	-124.86	359.26	7.89	-116.97
CCCC1=CSC([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300013218132	1	44	-2.0	-124.21	354.69	7.67	-116.54
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)=N1	REAL300013218133	1	44	-2.0	-120.20	396.92	6.49	-113.71
CCCC1=CSC([N-]C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])=N1	REAL300013218134	1	44	-2.0	-114.48	383.40	6.21	-108.27
C=CCSCC(NC(=O)[N-]C1=NC(CCC)=CS1)C(=O)[O-]	REAL300013218135	1	38	-2.0	-113.08	354.10	5.74	-107.34
CCCC1=CSC([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=N1	REAL300013218136	1	41	-2.0	-109.53	375.54	7.29	-102.24
CCCC1=CSC([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=N1	REAL300013218137	1	44	-2.0	-125.58	394.20	6.93	-118.65
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2(OC)CCC2)=N1	REAL300013218138	1	41	-2.0	-113.57	343.31	3.50	-110.07
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=N1	REAL300013218139	1	43	-2.0	-115.14	358.29	6.82	-108.32
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=N1	REAL300013218140	1	44	-2.0	-123.12	363.84	7.90	-115.22
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300013218141	1	37	-2.0	-114.80	327.61	5.20	-109.60
CCCC1=CSC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013218142	0	37	-2.0	-115.40	329.62	6.28	-109.12
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013218142	1	36	-3.0	-191.85	325.01	4.96	-186.89
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300013218143	1	49	-2.0	-120.03	408.76	8.27	-111.76
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300013218144	1	46	-2.0	-119.80	392.78	7.87	-111.93
CCCC1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013218145	1	34	-2.0	-114.92	303.44	5.94	-108.98
CCCC1=CSC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013218146	1	36	-2.0	-122.13	312.81	6.70	-115.43
CCCC1=CSC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013218147	1	40	-2.0	-123.23	330.93	6.63	-116.60
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC)C=C2)=N1	REAL300013218148	1	44	-2.0	-117.33	383.64	6.23	-111.10
CCCC1=CSC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300013218149	1	44	-2.0	-127.54	353.20	8.82	-118.72
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300013218150	1	44	-2.0	-111.50	370.30	8.22	-103.28
CCCC1=CSC([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013218151	1	44	-2.0	-120.77	374.96	6.89	-113.88
CCCC1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=N1	REAL300013218152	1	40	-2.0	-112.80	368.75	6.86	-105.94
CCCC1=CSC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N1	REAL300013218153	1	42	-2.0	-112.86	356.94	5.92	-106.94
CCCC1=CSC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300013218154	1	41	-2.0	-126.65	346.61	7.41	-119.24
CCCC1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013218155	1	41	-2.0	-113.14	350.18	3.88	-109.26
CCCC1=CSC([N-]C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])=N1	REAL300013218156	1	38	-2.0	-116.34	340.25	7.00	-109.34
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300013218157	1	41	-2.0	-122.41	331.71	6.62	-115.79
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013218158	1	38	-2.0	-121.04	318.86	5.72	-115.32
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300013218159	1	41	-2.0	-120.11	340.12	6.09	-114.02
CCCC1=CSC([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=N1	REAL300013218160	1	47	-2.0	-126.22	373.47	8.36	-117.86
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013218161	1	40	-2.0	-115.87	332.58	5.39	-110.48
CCCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N1	REAL300013218162	1	37	-2.0	-115.41	326.36	3.11	-112.30
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013218163	1	40	-2.0	-116.04	355.41	8.98	-107.06
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300013218164	1	47	-2.0	-120.68	406.74	9.35	-111.33
CCCC1=CSC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013218165	1	40	-2.0	-124.20	337.22	6.72	-117.48
CCCC1=CSC([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=N1	REAL300013218166	1	41	-2.0	-117.28	358.11	9.18	-108.10
CCCC1=CSC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300013218167	1	37	-2.0	-115.94	320.30	7.40	-108.54
CCCC1=CSC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013218168	1	34	-2.0	-116.93	308.64	5.98	-110.95
CCCC1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013218169	1	40	-2.0	-111.74	360.97	7.01	-104.73
CCCC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013218170	1	37	-2.0	-111.99	344.79	5.82	-106.17
CCCC1=CSC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300013218171	1	37	-2.0	-109.65	326.16	6.51	-103.14
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=N1	REAL300013218172	1	41	-2.0	-118.49	359.31	6.52	-111.97
CCCC1=CSC([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=N1	REAL300013218173	1	45	-2.0	-120.07	384.21	8.23	-111.84
CCCC1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013218174	1	37	-2.0	-111.99	344.79	5.82	-106.17
CCCC1=CSC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013218175	1	41	-2.0	-124.92	335.25	7.24	-117.68
CCCC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013218176	1	38	-2.0	-117.03	343.53	3.09	-113.94
CCCC1=CSC([N-]C(=O)NC(CCCOC)C(=O)[O-])=N1	REAL300013218177	1	40	-2.0	-113.23	351.54	3.70	-109.53
CCCC1=CSC([N-]C(=O)NC(COCC)C(=O)[O-])=N1	REAL300013218178	1	37	-2.0	-115.44	330.08	3.07	-112.37
CCCC1=CSC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300013218179	1	42	-2.0	-113.90	346.96	6.34	-107.56
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300013218180	1	41	-2.0	-118.08	347.11	4.42	-113.66
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300013218181	1	37	-2.0	-115.57	353.84	6.56	-109.01
CCCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013218182	1	41	-2.0	-122.60	350.47	7.03	-115.57
CCCC1=CSC([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=N1	REAL300013218183	1	38	-2.0	-120.70	320.13	5.40	-115.30
CCCC1=CSC([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=N1	REAL300013218184	1	40	-2.0	-105.79	339.66	7.06	-98.73
CCCC1=CSC([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=N1	REAL300013218185	1	51	-2.0	-122.21	387.31	7.98	-114.23
CCCC1=CSC([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013218186	1	43	-2.0	-117.03	380.13	7.24	-109.79
CCCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1	REAL300013218187	1	37	-2.0	-113.66	337.07	7.12	-106.54
CCCC1=CSC([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=N1	REAL300013218188	1	48	-2.0	-126.91	371.51	7.73	-119.18
CCCC1=CSC([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300013218189	1	39	-2.0	-110.59	366.36	5.57	-105.02
CCCC1=CSC([N-]C(=O)N2C[C@H](OCC)C[C@H]2C(=O)[O-])=N1	REAL300013218190	1	41	-2.0	-122.24	352.10	5.79	-116.45
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])S2	REAL300013218191	1	53	-2.0	-122.18	412.39	8.53	-113.65
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218192	1	50	-2.0	-122.85	404.15	11.03	-111.82
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(=O)[O-])C=C1	REAL300013218193	1	47	-2.0	-127.21	390.48	8.05	-119.16
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S2	REAL300013218194	1	40	-2.0	-113.24	348.82	6.01	-107.23
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCSCC1)S2	REAL300013218195	1	45	-2.0	-119.80	360.10	7.11	-112.69
COCC(C)(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218196	1	44	-2.0	-124.17	355.27	4.88	-119.29
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218197	1	47	-2.0	-113.50	377.57	7.04	-106.46
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218198	1	46	-2.0	-119.53	368.85	8.47	-111.06
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CC1)S2	REAL300013218199	1	41	-2.0	-117.62	334.06	7.65	-109.97
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S2	REAL300013218200	1	43	-2.0	-114.09	372.57	8.56	-105.53
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCOC1)S2	REAL300013218201	1	42	-2.0	-120.48	338.59	3.74	-116.74
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)S2	REAL300013218202	1	50	-2.0	-121.97	388.71	7.73	-114.24
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(O)C=C1)S2	REAL300013218203	1	45	-2.0	-123.83	380.08	4.52	-119.31
CN(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(COC1CCC1)C(=O)[O-]	REAL300013218204	1	51	-2.0	-115.13	404.54	8.30	-106.83
CC1(C)CCCC2=C1N=C([N-]C(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)S2	REAL300013218205	1	51	-2.0	-135.89	408.30	11.66	-124.23
C=CCOCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218206	1	45	-2.0	-122.40	379.01	5.10	-117.30
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCCC(O)C1C(=O)[O-])S2	REAL300013218207	1	45	-2.0	-136.56	356.27	5.39	-131.17
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218208	1	44	-2.0	-120.52	359.11	6.19	-114.33
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)S2	REAL300013218209	1	48	-2.0	-122.93	377.39	5.11	-117.82
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)S2	REAL300013218210	1	44	-2.0	-116.66	381.54	7.58	-109.08
COC1CCN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(C(=O)[O-])C1	REAL300013218211	1	48	-2.0	-131.48	377.99	7.66	-123.82
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCOC1)S2	REAL300013218212	1	48	-2.0	-119.47	377.36	5.12	-114.35
CC1CCN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(C(=O)[O-])C1	REAL300013218213	1	47	-2.0	-132.79	366.43	9.27	-123.52
CC1=CC(C(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(=O)[O-])=CC=C1F	REAL300013218214	1	47	-2.0	-119.76	395.77	8.08	-111.68
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(=O)[O-])=C1	REAL300013218215	1	50	-2.0	-129.19	411.84	8.72	-120.47
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(=O)[O-])C=C1C	REAL300013218216	1	50	-2.0	-129.01	407.49	8.58	-120.43
CC(C)C(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218217	1	43	-2.0	-119.99	345.00	5.64	-114.35
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCCCC1C(=O)[O-])S2	REAL300013218218	1	44	-2.0	-132.22	345.58	8.66	-123.56
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)S2	REAL300013218219	1	44	-2.0	-119.79	385.56	7.98	-111.81
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCSCC1C(=O)[O-])S2	REAL300013218220	1	42	-2.0	-124.32	345.53	8.68	-115.64
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCCC1)S2	REAL300013218221	1	47	-2.0	-126.37	362.40	7.43	-118.94
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCCC1C(=O)[O-])S2	REAL300013218222	1	41	-2.0	-126.91	333.53	7.29	-119.62
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC1)S2	REAL300013218223	1	44	-2.0	-125.71	347.89	6.33	-119.38
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCCCC1)S2	REAL300013218224	1	50	-2.0	-126.88	368.10	8.10	-118.78
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])S2	REAL300013218225	1	47	-2.0	-120.88	390.43	8.34	-112.54
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)S2	REAL300013218226	1	47	-2.0	-122.55	391.94	10.43	-112.12
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)S2	REAL300013218227	1	44	-2.0	-126.87	369.08	7.38	-119.49
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013218228	1	44	-2.0	-126.87	369.05	7.39	-119.48
CCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218229	1	40	-2.0	-118.49	332.05	5.33	-113.16
CC(C)C(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218230	1	43	-2.0	-119.99	345.00	5.64	-114.35
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CO)C(=O)[O-])S2	REAL300013218231	1	38	-2.0	-122.32	322.01	1.14	-121.18
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CO)C(=O)[O-])S2	REAL300013218232	1	38	-2.0	-122.32	322.01	1.14	-121.18
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])S2	REAL300013218233	1	47	-2.0	-120.88	390.43	8.34	-112.54
CCC(C)C(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218234	1	46	-2.0	-121.00	362.83	6.34	-114.66
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCCCC1C(=O)[O-])S2	REAL300013218235	1	44	-2.0	-132.22	345.58	8.66	-123.56
CCCC(C)(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218236	1	46	-2.0	-122.30	358.52	6.35	-115.95
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218237	1	43	-2.0	-117.43	343.16	7.75	-109.68
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CC1)S2	REAL300013218238	1	41	-2.0	-117.62	334.06	7.65	-109.97
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218239	1	41	-2.0	-119.70	345.75	7.98	-111.72
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218240	1	46	-2.0	-119.53	368.85	8.47	-111.06
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CC3=CC=CC=C3CC1C(=O)[O-])S2	REAL300013218241	1	48	-2.0	-134.37	383.89	10.85	-123.52
CC(C)(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218242	1	40	-2.0	-102.15	323.63	4.69	-97.46
CC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)(C(=O)[O-])C1CC1	REAL300013218243	1	44	-2.0	-124.26	349.82	6.42	-117.84
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CS1)S2	REAL300013218244	1	41	-2.0	-123.73	360.05	6.50	-117.23
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCCC1)S2	REAL300013218245	1	47	-2.0	-126.37	362.40	7.43	-118.94
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218246	1	43	-2.0	-117.43	343.16	7.75	-109.68
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218247	1	43	-2.0	-119.57	354.43	8.18	-111.39
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218248	1	40	-2.0	-116.54	332.94	7.42	-109.12
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S2	REAL300013218249	1	38	-2.0	-122.20	322.50	1.14	-121.06
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218250	1	46	-2.0	-120.75	362.48	6.27	-114.48
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC1)S2	REAL300013218251	1	44	-2.0	-125.71	347.89	6.33	-119.38
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)S2	REAL300013218252	1	47	-2.0	-116.76	398.34	10.49	-106.27
CCC(C)(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218253	1	43	-2.0	-121.32	337.03	5.60	-115.72
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)S2	REAL300013218254	1	48	-2.0	-129.90	388.60	8.58	-121.32
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)S2	REAL300013218255	1	44	-2.0	-125.71	379.63	7.61	-118.10
CC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013218256	1	47	-2.0	-128.63	377.15	8.09	-120.54
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218257	1	40	-2.0	-116.54	332.94	7.42	-109.12
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218258	1	55	-2.0	-122.96	423.02	8.68	-114.28
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])S2	REAL300013218259	1	42	-2.0	-128.74	345.58	3.63	-125.11
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC1)S2	REAL300013218260	1	38	-2.0	-124.93	317.22	5.39	-119.54
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)S2	REAL300013218261	1	44	-2.0	-119.79	385.56	7.98	-111.81
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCOCC1C(=O)[O-])S2	REAL300013218262	1	42	-2.0	-125.66	336.66	6.28	-119.38
CN(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C1(C(=O)[O-])CCCCC1	REAL300013218263	1	50	-2.0	-125.62	373.82	9.18	-116.44
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CC1)S2	REAL300013218264	1	41	-2.0	-120.30	339.80	5.80	-114.50
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])S2	REAL300013218265	1	50	-2.0	-122.62	414.34	11.20	-111.42
CN(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013218266	1	47	-2.0	-121.86	382.00	9.56	-112.30
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218267	1	44	-2.0	-120.81	364.31	6.59	-114.22
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC3=CC=CC=C31)S2	REAL300013218268	1	48	-2.0	-134.29	383.76	8.38	-125.91
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])S2	REAL300013218269	1	41	-2.0	-127.36	334.31	7.04	-120.32
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCCC[C@@H]1C(=O)[O-])S2	REAL300013218270	1	44	-2.0	-132.15	345.48	8.73	-123.42
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])S2	REAL300013218271	1	42	-2.0	-125.73	344.74	3.89	-121.84
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218272	1	40	-2.0	-110.48	324.97	6.61	-103.87
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC[C@H]1C(=O)[O-])S2	REAL300013218273	1	41	-2.0	-126.91	333.48	7.29	-119.62
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC1)S2	REAL300013218274	1	41	-2.0	-125.53	334.13	5.90	-119.63
C=CCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218275	1	41	-2.0	-118.25	346.20	5.76	-112.49
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218276	1	44	-2.0	-126.71	350.65	7.84	-118.87
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCCCCC1C(=O)[O-])S2	REAL300013218277	1	47	-2.0	-131.63	360.51	9.31	-122.32
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CC1)S2	REAL300013218278	1	41	-2.0	-120.30	339.80	5.80	-114.50
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218279	1	40	-2.0	-110.53	325.10	6.67	-103.86
CCCCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218280	1	46	-2.0	-119.20	375.88	6.86	-112.34
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC(O)=C1)S2	REAL300013218281	1	45	-2.0	-126.53	379.44	4.57	-121.96
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])S2	REAL300013218282	1	50	-2.0	-122.62	414.34	11.20	-111.42
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218283	1	44	-2.0	-126.61	350.63	7.84	-118.77
CN(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C1(C(=O)[O-])CCCCC1	REAL300013218284	1	50	-2.0	-125.62	373.82	9.18	-116.44
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCCC1)S2	REAL300013218285	1	47	-2.0	-120.67	369.27	8.98	-111.69
COCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218286	1	41	-2.0	-121.43	344.26	3.55	-117.88
CCCCCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218287	1	49	-2.0	-119.20	397.38	7.64	-111.56
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218288	1	46	-2.0	-121.43	363.69	6.42	-115.01
CCC1CCC(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)(C(=O)[O-])CC1	REAL300013218289	1	53	-2.0	-126.68	401.46	8.68	-118.00
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)S2	REAL300013218290	1	48	-2.0	-120.63	377.80	7.31	-113.32
CN(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C1(C(=O)[O-])CCCC1	REAL300013218291	1	47	-2.0	-127.51	360.45	8.23	-119.28
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C1CC1	REAL300013218292	1	44	-2.0	-111.74	343.96	7.64	-104.10
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C1CC1	REAL300013218293	1	47	-2.0	-114.54	367.73	9.32	-105.22
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)S2	REAL300013218294	1	44	-2.0	-126.94	379.82	7.86	-119.08
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1F)S2	REAL300013218295	1	44	-2.0	-130.69	373.22	7.55	-123.14
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC3=CC=CC=C3C1C(=O)[O-])S2	REAL300013218296	1	48	-2.0	-126.03	386.00	10.14	-115.89
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(=O)[O-])=C1C	REAL300013218297	1	50	-2.0	-127.83	398.09	8.41	-119.42
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218298	1	43	-2.0	-119.57	354.43	8.18	-111.39
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C1CC1	REAL300013218299	1	48	-2.0	-112.25	380.51	8.71	-103.54
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C1CCC1	REAL300013218300	1	47	-2.0	-125.54	365.69	9.67	-115.87
CCCN(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(COC)C(=O)[O-]	REAL300013218301	1	50	-2.0	-124.60	397.20	8.93	-115.67
CCCN(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(CC)C(=O)[O-]	REAL300013218302	1	49	-2.0	-113.56	382.14	9.18	-104.38
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218303	1	46	-2.0	-120.28	371.60	6.61	-113.67
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCOCC1)S2	REAL300013218304	1	45	-2.0	-121.93	353.83	4.94	-116.99
C=CCCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218305	1	44	-2.0	-118.96	367.20	6.64	-112.32
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CF)C(=O)[O-])S2	REAL300013218306	1	37	-2.0	-103.99	314.52	4.33	-99.66
CCC(CC)(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218307	1	46	-2.0	-123.25	353.70	6.47	-116.78
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(=O)[O-])C=C1	REAL300013218308	1	48	-2.0	-124.34	398.52	6.68	-117.66
CCC(COC)(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218309	1	47	-2.0	-126.09	371.71	5.79	-120.30
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1CC1)C(=O)[O-])S2	REAL300013218310	1	44	-2.0	-119.98	364.51	6.87	-113.11
COCCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218311	1	44	-2.0	-116.90	366.56	4.38	-112.52
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S2	REAL300013218312	1	40	-2.0	-113.31	344.41	5.62	-107.69
CCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013218313	1	50	-2.0	-130.06	393.87	8.97	-121.09
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(=O)[O-])C1	REAL300013218314	1	54	-2.0	-123.64	421.14	6.73	-116.91
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CCF)C(=O)[O-])S2	REAL300013218315	1	40	-2.0	-113.71	339.48	5.46	-108.25
COC1(CC(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(=O)[O-])CCC1	REAL300013218316	1	51	-2.0	-123.94	402.86	6.65	-117.29
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)S2	REAL300013218317	1	48	-2.0	-120.63	377.80	7.31	-113.32
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCCCC1)S2	REAL300013218318	1	50	-2.0	-122.02	386.67	9.70	-112.32
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)(C(=O)[O-])CC1	REAL300013218319	1	50	-2.0	-127.08	376.21	7.82	-119.26
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(=O)[O-])=C1	REAL300013218320	1	48	-2.0	-128.54	398.52	6.68	-121.86
CC(CCF)(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218321	1	43	-2.0	-116.21	343.62	5.73	-110.48
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC3=C(C=CO3)C1C(=O)[O-])S2	REAL300013218322	1	45	-2.0	-121.95	368.63	8.32	-113.63
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(=O)[O-])=C1	REAL300013218323	1	48	-2.0	-128.52	398.54	6.67	-121.85
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218324	1	40	-2.0	-109.89	325.53	6.56	-103.33
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1	REAL300013218325	1	50	-2.0	-127.36	400.25	9.27	-118.09
CC1(C)CCCC(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)(C(=O)[O-])C1	REAL300013218326	1	53	-2.0	-128.24	390.34	8.30	-119.94
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CC3CC1(C(=O)[O-])C3)S2	REAL300013218327	1	42	-2.0	-130.77	339.84	7.84	-122.93
COC1CN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(C)(C(=O)[O-])C1	REAL300013218328	1	48	-2.0	-126.13	383.80	6.80	-119.33
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1CCCOC1)C(=O)[O-])S2	REAL300013218329	1	51	-2.0	-122.53	404.05	6.21	-116.32
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218330	1	46	-2.0	-121.43	363.69	6.42	-115.01
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218331	1	41	-2.0	-116.10	361.32	6.39	-109.71
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218332	1	44	-2.0	-118.54	365.90	6.53	-112.01
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C3CCC1(C(=O)[O-])CC3)S2	REAL300013218333	1	45	-2.0	-130.50	353.38	8.58	-121.92
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])S2	REAL300013218334	1	42	-2.0	-126.22	345.53	3.64	-122.58
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])S2	REAL300013218335	1	41	-2.0	-116.40	346.46	7.44	-108.96
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])S2	REAL300013218336	1	41	-2.0	-121.48	340.06	7.38	-114.10
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1	REAL300013218337	1	42	-2.0	-127.91	346.70	7.74	-120.17
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1CCOCC1)C(=O)[O-])S2	REAL300013218338	1	51	-2.0	-118.83	400.14	6.80	-112.03
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218339	1	46	-2.0	-120.28	371.60	6.61	-113.67
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)S2	REAL300013218340	1	48	-2.0	-122.93	377.39	5.11	-117.82
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013218341	1	44	-2.0	-126.87	369.05	7.39	-119.48
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1CC1)C(=O)[O-])S2	REAL300013218342	1	44	-2.0	-119.98	364.51	6.87	-113.11
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1=CN=CS1)C(=O)[O-])S2	REAL300013218343	1	43	-2.0	-118.80	377.87	5.49	-113.31
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218344	1	52	-2.0	-119.60	414.95	8.15	-111.45
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1CCCO1)C(=O)[O-])S2	REAL300013218345	1	48	-2.0	-126.30	388.84	5.75	-120.55
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218346	1	41	-2.0	-117.88	339.65	2.42	-115.46
CSCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218347	1	41	-2.0	-119.05	355.68	5.76	-113.29
COC[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218348	1	41	-2.0	-121.26	344.76	3.54	-117.72
CC[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218349	1	40	-2.0	-118.49	332.90	5.31	-113.18
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])S2	REAL300013218350	1	47	-2.0	-116.70	397.74	8.39	-108.31
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218351	1	49	-2.0	-121.35	389.82	7.31	-114.04
C=CCCCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218352	1	47	-2.0	-118.99	387.86	7.45	-111.54
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])S2	REAL300013218353	1	47	-2.0	-116.65	397.44	8.46	-108.19
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCSCC1C(=O)[O-])S2	REAL300013218354	1	42	-2.0	-124.32	345.53	8.68	-115.64
CC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013218355	1	47	-2.0	-128.63	377.15	8.09	-120.54
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])S2	REAL300013218356	1	41	-2.0	-127.36	334.31	7.04	-120.32
CCCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218357	1	43	-2.0	-118.93	353.55	6.09	-112.84
CC(C)[C@@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218358	1	43	-2.0	-119.98	349.91	5.88	-114.10
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])S2	REAL300013218359	1	45	-2.0	-132.90	356.30	8.97	-123.93
CCN(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(C)(C)C(=O)[O-]	REAL300013218360	1	46	-2.0	-124.17	358.66	8.28	-115.89
CCCN(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(C)C(=O)[O-]	REAL300013218361	1	46	-2.0	-114.86	365.84	8.35	-106.51
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218362	1	43	-2.0	-119.05	354.15	6.14	-112.91
CC1(C)CCCC2=C1N=C([N-]C(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])S2	REAL300013218363	1	45	-2.0	-134.70	357.31	8.34	-126.36
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)S2	REAL300013218364	1	44	-2.0	-126.87	369.08	7.38	-119.49
CN(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(C)(C)C(=O)[O-]	REAL300013218365	1	43	-2.0	-122.93	340.17	7.42	-115.51
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC[C@H]1C(=O)[O-])S2	REAL300013218366	1	41	-2.0	-126.91	333.48	7.29	-119.62
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218369	1	49	-2.0	-121.35	389.82	7.31	-114.04
C#CCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218370	1	39	-2.0	-118.33	339.15	5.73	-112.60
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218371	1	50	-2.0	-125.40	403.28	11.71	-113.69
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218372	1	40	-2.0	-110.53	325.10	6.67	-103.86
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218373	1	47	-2.0	-120.69	384.47	7.22	-113.47
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])S2	REAL300013218374	1	46	-2.0	-117.98	386.14	6.63	-111.35
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218375	1	50	-2.0	-114.34	397.85	7.79	-106.55
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218376	1	49	-2.0	-112.71	383.25	9.09	-103.62
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=N1)S2	REAL300013218377	1	43	-2.0	-129.94	365.20	5.87	-124.07
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218378	1	50	-2.0	-129.58	388.04	9.75	-119.83
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218379	1	50	-2.0	-118.32	396.77	10.39	-107.93
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])S2	REAL300013218382	1	46	-2.0	-117.98	386.14	6.63	-111.35
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CN=C1)S2	REAL300013218383	1	43	-2.0	-123.35	363.95	5.59	-117.76
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218384	1	48	-2.0	-128.39	379.90	8.06	-120.33
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218385	0	48	-2.0	-130.59	387.40	11.29	-119.30
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)[C@H]1C(=O)[O-]	REAL300013218386	0	51	-2.0	-124.70	398.28	10.77	-113.93
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])S2	REAL300013218387	1	49	-2.0	-118.75	408.94	7.39	-111.36
C=CCCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218388	1	44	-2.0	-118.96	367.20	6.64	-112.32
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1=NC=CS1)C(=O)[O-])S2	REAL300013218389	1	43	-2.0	-120.10	377.61	5.39	-114.71
CC#CCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218390	1	42	-2.0	-120.23	360.98	6.68	-113.55
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)CC1=O	REAL300013218391	1	45	-2.0	-121.53	361.86	6.64	-114.89
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218392	1	44	-2.0	-126.81	350.58	7.84	-118.97
CC(C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218393	1	43	-2.0	-119.94	345.61	5.64	-114.30
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)S2	REAL300013218394	1	44	-2.0	-126.88	369.03	7.39	-119.49
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218395	1	47	-2.0	-124.41	378.51	6.64	-117.77
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218396	1	40	-2.0	-109.89	325.53	6.56	-103.33
CCC[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218397	1	43	-2.0	-118.94	353.56	6.09	-112.85
CCN(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(C)C(=O)[O-]	REAL300013218398	1	43	-2.0	-120.26	346.39	8.03	-112.23
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCCC1)S2	REAL300013218399	1	47	-2.0	-120.67	369.27	8.98	-111.69
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218400	1	46	-2.0	-120.75	362.48	6.27	-114.48
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218401	1	43	-2.0	-110.74	345.98	7.64	-103.10
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(CO)C1)S2	REAL300013218402	1	45	-2.0	-128.08	366.35	3.22	-124.86
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218403	1	53	-2.0	-125.72	416.37	6.62	-119.10
CC1CCC(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)(C(=O)[O-])C1	REAL300013218404	1	47	-2.0	-126.99	367.94	6.93	-120.06
CC1(C)CCCC1(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218405	1	50	-2.0	-129.45	376.87	7.58	-121.87
COCCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218406	1	44	-2.0	-116.90	366.56	4.38	-112.52
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)(C(=O)[O-])C1	REAL300013218407	1	47	-2.0	-127.19	370.46	7.63	-119.56
CC1(C(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(=O)[O-])CC1	REAL300013218408	1	44	-2.0	-122.91	356.50	6.67	-116.24
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218409	1	53	-2.0	-125.69	417.24	6.54	-119.15
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])S2	REAL300013218410	1	42	-2.0	-134.46	345.53	3.83	-130.63
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCOC1)S2	REAL300013218411	1	45	-2.0	-116.22	362.99	4.34	-111.88
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])S2	REAL300013218412	1	45	-2.0	-130.39	355.51	8.40	-121.99
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CNC3=CC=CC=C13)S2	REAL300013218413	1	48	-2.0	-132.74	400.93	7.51	-125.23
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CC3CC1(C(=O)[O-])CO3)S2	REAL300013218414	1	43	-2.0	-126.29	348.41	5.94	-120.35
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1	REAL300013218415	1	47	-2.0	-133.11	361.76	9.52	-123.59
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218416	1	50	-2.0	-121.80	406.42	8.68	-113.12
CN(C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C1(C(=O)[O-])CC1	REAL300013218417	1	41	-2.0	-122.56	340.52	7.18	-115.38
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])S2	REAL300013218418	1	51	-2.0	-121.49	400.89	9.19	-112.30
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCC1)S2	REAL300013218419	1	44	-2.0	-121.22	357.26	6.31	-114.91
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)S2	REAL300013218420	1	50	-2.0	-121.97	388.71	7.73	-114.24
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCC1)S2	REAL300013218421	1	44	-2.0	-121.22	357.26	6.31	-114.91
CC1CCN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1C(=O)[O-]	REAL300013218422	1	44	-2.0	-129.39	351.10	7.43	-121.96
C=CCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218423	1	41	-2.0	-118.25	346.20	5.76	-112.49
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1CCCCO1)C(=O)[O-])S2	REAL300013218424	1	51	-2.0	-124.36	407.10	6.48	-117.88
CC1(C)CCCC2=C1N=C([N-]C(=O)N1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)S2	REAL300013218425	1	51	-2.0	-132.92	381.05	9.23	-123.69
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)(C(=O)[O-])CCO1	REAL300013218426	1	51	-2.0	-122.91	382.96	6.24	-116.67
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC3=C(CCCC3(C)C)S1)C2C(=O)[O-]	REAL300013218427	1	51	-2.0	-126.90	403.58	10.69	-116.21
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])S2	REAL300013218428	1	51	-2.0	-121.49	400.89	9.19	-112.30
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])S2	REAL300013218429	1	47	-2.0	-118.34	397.74	8.39	-109.95
COC1CC(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)(C(=O)[O-])C1	REAL300013218430	1	45	-2.0	-122.32	365.61	4.79	-117.53
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(F)(F)C1)S2	REAL300013218431	1	41	-2.0	-119.02	342.61	5.94	-113.08
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)(C(=O)[O-])C1	REAL300013218432	1	45	-2.0	-122.24	365.61	4.78	-117.46
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)S2	REAL300013218433	1	44	-2.0	-117.29	370.85	7.08	-110.21
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218434	1	47	-2.0	-128.84	363.97	9.07	-119.77
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S2	REAL300013218435	1	40	-2.0	-113.24	348.82	6.01	-107.23
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])S2	REAL300013218436	1	48	-2.0	-118.00	387.75	5.37	-112.63
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])COC1)S2	REAL300013218437	1	39	-2.0	-117.30	324.84	2.95	-114.35
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=CS1)C(=O)[O-])S2	REAL300013218438	1	44	-2.0	-119.38	383.28	7.38	-112.00
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218439	1	46	-2.0	-122.66	351.95	6.22	-116.44
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])S2	REAL300013218440	1	42	-2.0	-131.44	340.81	8.42	-123.02
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])S2	REAL300013218441	1	45	-2.0	-131.02	356.68	7.94	-123.08
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218442	1	50	-2.0	-118.32	396.77	10.39	-107.93
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])S2	REAL300013218443	1	53	-2.0	-122.18	412.39	8.53	-113.65
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])S2	REAL300013218444	1	50	-2.0	-121.20	413.47	9.12	-112.08
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])S2	REAL300013218445	1	50	-2.0	-121.31	414.30	9.09	-112.22
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CC3CCC1C3)S2	REAL300013218446	1	51	-2.0	-124.68	394.70	8.17	-116.51
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])S2	REAL300013218447	1	53	-2.0	-122.29	413.00	8.59	-113.70
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])S2	REAL300013218448	1	53	-2.0	-122.30	412.38	8.52	-113.78
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CC3(CCCC3)CC1C(=O)[O-])S2	REAL300013218449	1	51	-2.0	-132.51	395.86	9.33	-123.18
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C[C@H]3CCCC[C@H]3[C@@H]1C(=O)[O-])S2	REAL300013218450	1	51	-2.0	-131.73	392.34	9.06	-122.67
C=CCSCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218451	1	45	-2.0	-119.71	390.63	7.18	-112.53
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])S2	REAL300013218452	1	48	-2.0	-115.70	411.87	8.78	-106.92
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218453	1	46	-2.0	-112.63	360.64	8.44	-104.19
COC1(C(NC(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C(=O)[O-])CCC1	REAL300013218454	1	48	-2.0	-120.38	379.83	4.94	-115.44
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC3=CC=CC=C3C1)S2	REAL300013218455	1	51	-2.0	-130.03	400.36	9.34	-120.69
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(C(F)F)C1)S2	REAL300013218456	1	44	-2.0	-127.21	366.08	6.77	-120.44
CC1(C)CCCC2=C1N=C(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)S2	REAL300013218457	0	44	-2.0	-118.58	366.14	7.72	-110.86
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)S2	REAL300013218457	1	43	-3.0	-203.75	362.95	6.52	-197.23
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])S2	REAL300013218458	1	41	-2.0	-121.48	340.06	7.38	-114.10
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C3C=CC(C3)C1C(=O)[O-])S2	REAL300013218459	1	43	-2.0	-131.94	349.98	8.15	-123.79
CC1(C)CCN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1C(=O)[O-]	REAL300013218460	1	47	-2.0	-129.62	365.80	8.24	-121.38
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CC3(CCC3)CCC1C(=O)[O-])S2	REAL300013218461	1	51	-2.0	-135.48	391.13	10.37	-125.11
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCC3=CC=CC=C31)S2	REAL300013218462	1	51	-2.0	-117.87	406.84	9.66	-108.21
CC(C)CCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218463	1	49	-2.0	-119.62	392.62	7.39	-112.23
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CC3(CCC3)CC1C(=O)[O-])S2	REAL300013218464	1	48	-2.0	-133.86	383.11	8.86	-125.00
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])S2	REAL300013218465	1	48	-2.0	-118.00	387.75	5.37	-112.63
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1	REAL300013218466	1	45	-2.0	-123.34	377.72	8.26	-115.08
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218467	1	41	-2.0	-123.25	341.53	2.67	-120.58
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S2	REAL300013218468	1	38	-2.0	-122.20	322.50	1.14	-121.06
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC3CC31)S2	REAL300013218469	1	48	-2.0	-129.15	368.25	8.07	-121.08
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC3CC31)S2	REAL300013218470	1	45	-2.0	-127.84	355.38	7.17	-120.67
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3(CCC3)C1)S2	REAL300013218471	1	48	-2.0	-128.40	382.70	7.79	-120.61
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CC3(CC1C(=O)[O-])CCCCC3)S2	REAL300013218472	1	54	-2.0	-133.86	409.92	9.81	-124.05
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCC1)S2	REAL300013218473	1	47	-2.0	-121.66	372.21	6.96	-114.70
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218474	1	44	-2.0	-122.11	362.40	4.54	-117.57
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218475	1	44	-2.0	-125.71	347.13	6.44	-119.27
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)S2	REAL300013218476	1	47	-2.0	-122.55	391.94	10.43	-112.12
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1	REAL300013218477	1	47	-2.0	-131.77	373.68	8.15	-123.62
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC(F)(F)CC1C(=O)[O-])S2	REAL300013218478	1	44	-2.0	-122.68	356.90	8.77	-113.91
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC(F)(F)C1C(=O)[O-])S2	REAL300013218479	1	41	-2.0	-123.38	345.17	7.42	-115.96
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])S2	REAL300013218480	1	47	-2.0	-118.34	397.74	8.39	-109.95
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])S2	REAL300013218481	1	44	-2.0	-118.58	382.13	7.24	-111.34
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218482	1	44	-2.0	-120.34	363.08	8.05	-112.29
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3(CC(F)(F)C3)C1)S2	REAL300013218483	1	48	-2.0	-125.45	395.83	7.97	-117.48
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])S2	REAL300013218484	1	44	-2.0	-118.58	382.13	7.24	-111.34
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])S2	REAL300013218485	1	48	-2.0	-131.04	371.43	8.43	-122.61
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=C(O)C=C1)S2	REAL300013218486	1	45	-2.0	-123.88	380.07	4.53	-119.35
COCCCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218487	1	47	-2.0	-119.84	387.23	5.17	-114.67
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218488	1	46	-2.0	-112.34	366.89	8.53	-103.81
CCOCC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218489	1	44	-2.0	-122.09	366.60	4.53	-117.56
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218490	1	49	-2.0	-120.67	383.74	7.72	-112.95
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCCO1)S2	REAL300013218491	1	48	-2.0	-125.68	383.38	5.45	-120.23
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)S2	REAL300013218492	1	48	-2.0	-129.90	388.60	8.58	-121.32
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)[C@@H]1C(=O)[O-]	REAL300013218493	1	45	-2.0	-127.74	356.72	6.86	-120.88
CC1(C)CCCC2=C1N=C([N-]C(=O)NC(CCC#N)C(=O)[O-])S2	REAL300013218494	1	41	-2.0	-112.76	353.74	5.82	-106.94
CC1(C)CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=CO1)S2	REAL300013218495	1	44	-2.0	-122.20	373.60	8.57	-113.63
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013218496	1	40	-2.0	-110.48	324.97	6.61	-103.87
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1	REAL300013218497	1	48	-2.0	-122.77	387.93	7.30	-115.47
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218684	1	54	-2.0	-119.27	409.08	8.70	-110.57
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218685	1	51	-2.0	-119.87	400.00	11.23	-108.64
CC1=CC=C(C(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C(=O)[O-])C=C1	REAL300013218686	1	48	-2.0	-123.74	386.06	8.35	-115.39
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218687	1	41	-2.0	-110.35	344.44	6.27	-104.08
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCSCC1	REAL300013218688	1	46	-2.0	-116.36	355.95	7.29	-109.07
COCC(C)(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218689	1	45	-2.0	-121.21	351.13	5.07	-116.14
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218690	1	48	-2.0	-111.10	373.87	7.21	-103.89
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218691	1	47	-2.0	-116.59	364.71	8.66	-107.93
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CC1	REAL300013218692	1	42	-2.0	-114.39	329.91	7.84	-106.55
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218693	1	44	-2.0	-111.16	368.43	8.75	-102.41
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCOC1	REAL300013218694	1	43	-2.0	-117.04	334.40	3.91	-113.13
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCCCC1	REAL300013218695	1	51	-2.0	-119.66	387.43	7.97	-111.69
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=CC=C(O)C=C1	REAL300013218696	1	46	-2.0	-120.72	375.95	4.73	-115.99
CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(COC1CCC1)C(=O)[O-]	REAL300013218697	1	52	-2.0	-112.51	401.03	8.60	-103.91
C=CCOCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218698	1	46	-2.0	-119.88	375.37	5.28	-114.60
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218699	1	46	-2.0	-133.83	349.12	6.31	-127.52
C=CC(C)C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218700	1	45	-2.0	-116.63	353.27	6.35	-110.28
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCOCC1	REAL300013218701	1	49	-2.0	-116.24	375.84	5.51	-110.73
COC1CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C(C(=O)[O-])C1	REAL300013218702	1	49	-2.0	-130.15	372.02	8.07	-122.08
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCCOC1	REAL300013218703	1	49	-2.0	-116.51	373.22	5.31	-111.20
CC1CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C(C(=O)[O-])C1	REAL300013218704	1	48	-2.0	-129.92	355.55	9.23	-120.69
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C(=O)[O-])=C1	REAL300013218705	1	51	-2.0	-125.49	407.11	8.93	-116.56
CC1=CC=C(C(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C(=O)[O-])C=C1C	REAL300013218706	1	51	-2.0	-125.34	402.73	8.83	-116.51
CC(C)C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218707	1	44	-2.0	-117.08	345.79	6.07	-111.01
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218708	1	45	-2.0	-128.83	341.34	8.93	-119.90
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218709	1	43	-2.0	-120.87	341.46	8.89	-111.98
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCCCC1	REAL300013218710	1	48	-2.0	-122.94	358.27	7.63	-115.31
O=C([O-])C1CCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218711	1	42	-2.0	-123.42	329.34	7.48	-115.94
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCCC1	REAL300013218712	1	45	-2.0	-122.20	343.79	6.53	-115.67
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCCCCC1	REAL300013218713	1	51	-2.0	-123.93	363.92	8.29	-115.64
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218714	1	48	-2.0	-117.62	387.12	8.51	-109.11
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218715	1	48	-2.0	-119.48	387.80	10.62	-108.86
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=CC=CC=C1	REAL300013218716	1	45	-2.0	-123.70	364.94	7.58	-116.12
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=CC=CC=C1	REAL300013218717	1	45	-2.0	-123.35	364.68	7.66	-115.69
CCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218718	1	41	-2.0	-115.51	328.51	5.56	-109.95
CC(C)C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218719	1	44	-2.0	-117.08	345.79	6.07	-111.01
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218720	1	38	-2.0	-112.59	306.99	6.63	-105.96
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218721	1	39	-2.0	-119.38	318.22	1.38	-118.00
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218722	1	39	-2.0	-119.38	318.22	1.38	-118.00
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218723	1	48	-2.0	-117.62	387.12	8.51	-109.11
CC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218724	1	38	-2.0	-101.84	306.93	4.49	-97.35
CCC(C)C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218725	1	47	-2.0	-116.62	360.95	6.66	-109.96
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218726	1	38	-2.0	-112.59	306.99	6.63	-105.96
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218727	1	45	-2.0	-128.83	341.34	8.93	-119.90
CCCC(C)(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218728	1	47	-2.0	-119.24	354.39	6.54	-112.70
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218729	1	44	-2.0	-114.54	339.03	7.95	-106.59
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CC1	REAL300013218730	1	42	-2.0	-114.39	329.91	7.84	-106.55
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218731	1	42	-2.0	-116.61	341.61	8.17	-108.44
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218732	1	47	-2.0	-116.59	364.71	8.66	-107.93
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218733	1	49	-2.0	-130.79	379.80	11.08	-119.71
CC(C)(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218734	1	41	-2.0	-99.49	319.50	4.88	-94.61
CC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)(C(=O)[O-])C1CC1	REAL300013218735	1	45	-2.0	-120.53	343.00	6.49	-114.04
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=CC=CS1	REAL300013218736	1	42	-2.0	-120.70	356.31	6.74	-113.96
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCCCC1	REAL300013218737	1	48	-2.0	-122.94	358.27	7.63	-115.31
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218738	1	44	-2.0	-114.54	339.03	7.95	-106.59
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218739	1	44	-2.0	-116.51	350.30	8.37	-108.14
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218740	1	41	-2.0	-113.73	328.80	7.61	-106.12
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218741	1	39	-2.0	-118.89	317.88	1.34	-117.55
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218742	1	47	-2.0	-117.71	359.99	6.47	-111.24
CC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218743	1	38	-2.0	-101.84	306.93	4.49	-97.35
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCCC1	REAL300013218744	1	45	-2.0	-122.20	343.79	6.53	-115.67
CCC(C)(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218745	1	44	-2.0	-118.37	332.89	5.79	-112.58
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC2=CC=CC=C2C1	REAL300013218746	1	49	-2.0	-126.62	382.87	8.68	-117.94
CC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013218747	1	48	-2.0	-125.14	373.01	8.28	-116.86
C[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218748	1	38	-2.0	-101.88	307.25	4.45	-97.43
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218749	1	41	-2.0	-113.73	328.80	7.61	-106.12
CCCCCCC(C)(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218750	1	56	-2.0	-119.52	418.89	8.87	-110.65
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218751	1	43	-2.0	-124.22	347.12	5.02	-119.20
C[C@@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218752	1	38	-2.0	-101.99	307.25	4.45	-97.54
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013218753	1	39	-2.0	-121.68	313.08	5.59	-116.09
O=C([O-])C1COCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218754	1	43	-2.0	-122.39	332.51	6.47	-115.92
CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013218755	1	51	-2.0	-122.81	369.69	9.38	-113.43
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CC1	REAL300013218756	1	42	-2.0	-118.20	335.15	6.01	-112.19
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218757	1	51	-2.0	-119.39	410.20	11.39	-108.00
CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013218758	1	48	-2.0	-117.09	377.30	10.05	-107.04
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218759	1	45	-2.0	-117.81	360.14	6.77	-111.04
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCC2=CC=CC=C21	REAL300013218760	1	49	-2.0	-130.14	379.61	8.55	-121.59
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218761	1	42	-2.0	-123.97	337.79	7.39	-116.58
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218762	1	45	-2.0	-128.11	347.97	9.09	-119.02
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218763	1	43	-2.0	-121.61	346.77	4.34	-117.27
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218764	1	41	-2.0	-107.17	321.90	6.86	-100.31
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218765	1	42	-2.0	-123.47	335.69	8.36	-115.11
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCC1	REAL300013218766	1	42	-2.0	-122.11	329.99	6.10	-116.01
C=CCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218767	1	42	-2.0	-115.59	342.03	5.95	-109.64
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218768	1	45	-2.0	-123.24	346.51	8.04	-115.20
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218769	1	48	-2.0	-128.50	356.38	9.52	-118.98
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CC1	REAL300013218770	1	42	-2.0	-118.20	335.15	6.01	-112.19
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218771	1	41	-2.0	-107.18	321.92	6.86	-100.32
CCCCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218772	1	47	-2.0	-116.20	371.75	7.04	-109.16
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=CC=CC(O)=C1	REAL300013218773	1	46	-2.0	-122.74	375.95	4.70	-118.04
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218774	1	51	-2.0	-119.39	410.20	11.39	-108.00
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218775	1	45	-2.0	-122.68	352.78	8.26	-114.42
CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013218776	1	51	-2.0	-122.81	369.69	9.38	-113.43
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCCC1	REAL300013218777	1	48	-2.0	-117.85	365.14	9.17	-108.68
COCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218778	1	42	-2.0	-118.36	340.61	3.73	-114.63
CCCCCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218779	1	50	-2.0	-116.19	393.01	7.89	-108.30
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218780	1	47	-2.0	-117.38	357.94	6.64	-110.74
CCC1CCC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)(C(=O)[O-])CC1	REAL300013218781	1	54	-2.0	-123.73	397.33	8.88	-114.85
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCOCC1	REAL300013218782	1	49	-2.0	-117.68	373.58	7.51	-110.17
CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1(C(=O)[O-])CCCC1	REAL300013218783	1	48	-2.0	-127.19	357.66	8.70	-118.49
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CC1	REAL300013218784	1	45	-2.0	-106.69	346.53	9.31	-97.38
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CC1	REAL300013218785	1	48	-2.0	-111.58	363.36	9.34	-102.24
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=CC=CC=C1F	REAL300013218786	1	45	-2.0	-127.02	369.13	7.73	-119.29
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218787	1	49	-2.0	-122.97	381.88	10.34	-112.63
CC1=CC=CC(C(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C(=O)[O-])=C1C	REAL300013218788	1	51	-2.0	-124.90	395.66	8.72	-116.18
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218789	1	44	-2.0	-116.51	350.30	8.37	-108.14
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CC1	REAL300013218790	1	49	-2.0	-108.99	377.27	8.89	-100.10
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCC1	REAL300013218791	1	48	-2.0	-124.39	362.41	9.69	-114.70
CCCN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(COC)C(=O)[O-]	REAL300013218792	1	51	-2.0	-113.80	388.60	7.94	-105.86
CCCN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(CC)C(=O)[O-]	REAL300013218793	1	50	-2.0	-109.96	376.57	9.23	-100.73
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218794	1	47	-2.0	-116.81	366.63	6.89	-109.92
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCOCC1	REAL300013218795	1	46	-2.0	-118.99	349.70	5.14	-113.85
C=CCCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218796	1	45	-2.0	-115.93	363.06	6.82	-109.11
O=C([O-])C(CF)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218797	1	38	-2.0	-101.18	310.54	4.50	-96.68
CCC(CC)(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218798	1	47	-2.0	-120.31	349.28	6.67	-113.64
CCC(COC)(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218799	1	48	-2.0	-123.07	367.58	5.98	-117.09
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218800	1	45	-2.0	-116.48	359.53	7.08	-109.40
COCCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218801	1	45	-2.0	-114.02	362.43	4.56	-109.46
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218802	1	41	-2.0	-110.36	341.10	5.78	-104.58
CCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013218803	1	51	-2.0	-126.99	389.74	9.17	-117.82
O=C([O-])C(CCF)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218804	1	41	-2.0	-110.85	335.34	5.64	-105.21
COC1(CC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C(=O)[O-])CCC1	REAL300013218805	1	52	-2.0	-121.55	399.11	6.61	-114.94
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCOCC1	REAL300013218806	1	49	-2.0	-117.68	373.58	7.51	-110.17
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCCCC1	REAL300013218807	1	51	-2.0	-119.65	382.54	9.89	-109.76
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)(C(=O)[O-])CC1	REAL300013218808	1	51	-2.0	-122.91	378.43	8.24	-114.67
CC(CCF)(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218809	1	44	-2.0	-112.86	339.48	5.93	-106.93
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC(C3CC4CCC3C4)=CS1)OC=C2	REAL300013218810	1	46	-2.0	-118.68	364.51	8.52	-110.16
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218811	1	41	-2.0	-107.47	320.97	6.87	-100.60
CC1(C)CCCC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)(C(=O)[O-])C1	REAL300013218812	1	54	-2.0	-124.97	386.19	8.50	-116.47
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218813	1	43	-2.0	-127.29	335.73	8.04	-119.25
COC1CN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C(C)(C(=O)[O-])C1	REAL300013218814	1	49	-2.0	-123.26	379.66	7.00	-116.26
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218815	1	52	-2.0	-118.37	395.69	7.09	-111.28
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218816	1	47	-2.0	-117.38	357.94	6.64	-110.74
C=C(Cl)CC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218817	1	42	-2.0	-113.98	357.22	6.62	-107.36
C=C(C)CC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218818	1	45	-2.0	-115.64	361.89	6.81	-108.83
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218819	1	46	-2.0	-127.17	349.26	8.78	-118.39
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218820	1	43	-2.0	-122.33	347.85	4.07	-118.26
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218821	1	42	-2.0	-112.61	348.53	7.88	-104.73
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218822	1	42	-2.0	-117.75	341.99	7.82	-109.93
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013218823	1	43	-2.0	-124.00	348.84	8.16	-115.84
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218824	1	52	-2.0	-116.62	400.21	6.31	-110.31
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218825	1	47	-2.0	-116.81	366.63	6.89	-109.92
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCOCC1	REAL300013218826	1	49	-2.0	-116.24	375.84	5.51	-110.73
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=CC=CC=C1	REAL300013218827	1	45	-2.0	-123.35	364.68	7.66	-115.69
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218828	1	45	-2.0	-116.48	359.53	7.08	-109.40
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218829	1	44	-2.0	-115.64	373.74	5.67	-109.97
CC(C)CCCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218830	1	53	-2.0	-116.68	410.82	8.34	-108.34
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218831	1	49	-2.0	-122.31	391.13	6.18	-116.13
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218832	1	42	-2.0	-120.08	337.39	2.40	-117.68
CSCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218833	1	42	-2.0	-116.14	352.45	5.84	-110.30
COC[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218834	1	42	-2.0	-118.00	340.13	3.75	-114.25
CC[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218835	1	41	-2.0	-115.20	328.76	5.51	-109.69
CCC(C)CC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218836	1	50	-2.0	-117.50	385.69	7.45	-110.05
C=CCCCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218837	1	48	-2.0	-116.05	384.32	7.67	-108.38
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218838	1	43	-2.0	-120.87	341.46	8.89	-111.98
CC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013218839	1	48	-2.0	-125.14	373.01	8.28	-116.86
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218840	1	42	-2.0	-123.97	337.79	7.39	-116.58
CCCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218841	1	44	-2.0	-116.00	350.01	6.33	-109.67
CC(C)[C@@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218842	1	44	-2.0	-116.92	340.88	5.84	-111.08
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218843	1	46	-2.0	-129.33	351.28	9.18	-120.15
CCN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(C)(C)C(=O)[O-]	REAL300013218844	1	47	-2.0	-121.34	354.53	8.49	-112.85
CCCN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(C)C(=O)[O-]	REAL300013218845	1	47	-2.0	-110.44	359.52	8.37	-102.07
CCC[C@@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218846	1	44	-2.0	-116.00	350.02	6.34	-109.66
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218847	1	46	-2.0	-131.08	353.94	8.47	-122.61
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=CC=CC=C1	REAL300013218848	1	45	-2.0	-123.70	364.94	7.58	-116.12
CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(C)(C)C(=O)[O-]	REAL300013218849	1	44	-2.0	-120.11	336.05	7.64	-112.47
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218850	1	42	-2.0	-123.47	335.69	8.36	-115.11
CCC(C)CC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218853	1	50	-2.0	-117.50	385.69	7.45	-110.05
C#CCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218854	1	40	-2.0	-115.35	335.02	5.91	-109.44
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218855	1	51	-2.0	-115.25	391.99	10.45	-104.80
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218856	1	41	-2.0	-107.18	321.92	6.86	-100.32
CC(C)=CCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218857	1	48	-2.0	-118.02	381.05	7.39	-110.63
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218858	1	47	-2.0	-114.97	382.06	6.81	-108.16
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218859	1	51	-2.0	-111.91	394.15	7.95	-103.96
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218860	1	50	-2.0	-111.16	381.05	9.24	-101.92
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=CC=CC=N1	REAL300013218861	1	44	-2.0	-126.35	361.06	6.08	-120.27
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218862	1	51	-2.0	-126.13	383.91	9.95	-116.18
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218863	1	51	-2.0	-115.13	391.94	10.46	-104.67
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218866	1	47	-2.0	-114.97	382.06	6.81	-108.16
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=CC=CN=C1	REAL300013218867	1	44	-2.0	-120.33	359.82	5.80	-114.53
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218868	1	49	-2.0	-124.86	374.92	8.21	-116.65
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218869	0	49	-2.0	-127.00	383.26	11.48	-115.52
C=CCCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218870	1	45	-2.0	-115.93	363.06	6.82	-109.11
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218871	1	44	-2.0	-117.13	373.46	5.58	-111.55
CC#CCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218872	1	43	-2.0	-117.20	356.85	6.86	-110.34
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1=O	REAL300013218873	1	46	-2.0	-118.03	357.57	6.81	-111.22
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218874	1	45	-2.0	-123.65	346.37	8.03	-115.62
CC(C)[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218875	1	44	-2.0	-115.59	342.94	6.06	-109.53
O=C([O-])[C@@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=CC=CC=C1	REAL300013218876	1	45	-2.0	-123.45	364.89	7.59	-115.86
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218877	1	48	-2.0	-124.03	378.71	6.88	-117.15
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218878	1	41	-2.0	-107.47	320.97	6.87	-100.60
CCC[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218879	1	44	-2.0	-115.66	350.26	6.27	-109.39
CCN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(C)C(=O)[O-]	REAL300013218880	1	44	-2.0	-108.37	338.58	7.64	-100.73
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCCC1	REAL300013218881	1	48	-2.0	-117.85	365.14	9.17	-108.68
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218882	1	47	-2.0	-117.71	359.99	6.47	-111.24
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218883	1	44	-2.0	-108.26	341.30	7.80	-100.46
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC(CO)C1	REAL300013218884	1	46	-2.0	-127.29	360.41	3.29	-124.00
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218885	1	54	-2.0	-121.89	409.20	6.68	-115.21
CC1CCC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)(C(=O)[O-])C1	REAL300013218886	1	48	-2.0	-123.92	363.81	7.13	-116.79
CC1(C)CCCC1(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218887	1	51	-2.0	-125.74	372.63	7.76	-117.98
COCCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218888	1	45	-2.0	-114.02	362.43	4.56	-109.46
CC1(C)CC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)(C(=O)[O-])C1	REAL300013218889	1	48	-2.0	-124.18	366.30	7.84	-116.34
CC1(C(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C(=O)[O-])CC1	REAL300013218890	1	45	-2.0	-119.98	352.37	6.87	-113.11
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218891	1	54	-2.0	-122.66	412.80	6.72	-115.94
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218892	1	43	-2.0	-130.11	346.38	4.27	-125.84
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCOC1	REAL300013218893	1	46	-2.0	-114.61	355.93	4.52	-110.09
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218894	1	46	-2.0	-126.49	357.74	8.84	-117.65
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC(C3CC4CCC3C4)=CS1)C2	REAL300013218895	1	44	-2.0	-122.68	343.20	6.26	-116.42
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013218896	1	48	-2.0	-129.52	362.23	9.42	-120.10
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218897	1	51	-2.0	-118.26	401.17	8.84	-109.42
CN(C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1(C(=O)[O-])CC1	REAL300013218898	1	42	-2.0	-119.23	336.39	7.38	-111.85
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218899	1	52	-2.0	-118.48	400.61	8.67	-109.81
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCC1	REAL300013218900	1	45	-2.0	-118.18	355.53	6.56	-111.62
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCCCC1	REAL300013218901	1	51	-2.0	-119.66	387.43	7.97	-111.69
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCC1	REAL300013218902	1	45	-2.0	-118.18	355.53	6.56	-111.62
CC1CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1C(=O)[O-]	REAL300013218903	1	45	-2.0	-126.68	352.06	7.73	-118.95
C=CCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218904	1	42	-2.0	-115.59	342.03	5.95	-109.64
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218905	1	52	-2.0	-120.83	402.12	6.70	-114.13
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218906	1	52	-2.0	-130.07	383.23	9.62	-120.45
CC1(C)CC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)(C(=O)[O-])CCO1	REAL300013218907	1	52	-2.0	-119.63	378.82	6.44	-113.19
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218908	1	52	-2.0	-118.48	400.61	8.67	-109.81
COC1CC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)(C(=O)[O-])C1	REAL300013218909	1	46	-2.0	-118.84	361.49	4.97	-113.87
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC(F)(F)C1	REAL300013218910	1	42	-2.0	-115.56	338.34	6.14	-109.42
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)(C(=O)[O-])C1	REAL300013218911	1	46	-2.0	-118.20	368.09	5.21	-112.99
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218912	1	48	-2.0	-125.74	359.85	9.27	-116.47
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218913	1	41	-2.0	-110.35	344.44	6.27	-104.08
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218914	1	49	-2.0	-114.66	383.62	5.58	-109.08
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)COC1	REAL300013218915	1	40	-2.0	-114.07	320.86	3.14	-110.93
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218916	1	45	-2.0	-116.32	379.14	7.58	-108.74
CC(C)C(C)(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218917	1	47	-2.0	-119.78	349.63	6.48	-113.30
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218918	1	43	-2.0	-127.94	336.86	8.59	-119.35
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218919	1	46	-2.0	-126.95	358.75	8.37	-118.58
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218920	1	51	-2.0	-115.13	391.94	10.46	-104.67
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218921	1	54	-2.0	-119.27	409.08	8.70	-110.57
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218922	1	51	-2.0	-117.93	410.17	9.30	-108.63
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218923	1	51	-2.0	-118.24	409.93	9.36	-108.88
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CC2CCC1C2	REAL300013218924	1	52	-2.0	-121.76	389.20	8.18	-113.58
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218925	1	54	-2.0	-119.22	408.89	8.79	-110.43
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218926	1	54	-2.0	-118.82	408.25	8.73	-110.09
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218927	1	52	-2.0	-129.42	391.55	9.55	-119.87
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218928	1	52	-2.0	-127.05	393.37	9.55	-117.50
C=CCSCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218929	1	46	-2.0	-116.83	386.73	7.30	-109.53
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218930	1	47	-2.0	-109.00	355.07	8.50	-100.50
COC1(C(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C(=O)[O-])CCC1	REAL300013218931	1	49	-2.0	-117.09	376.35	5.16	-111.93
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC(C(F)F)C1	REAL300013218932	1	45	-2.0	-121.76	361.75	6.95	-114.81
O=C([O-])C1CC(NC(=O)NC2=NC(C3CC4CCC3C4)=CS2)(C(=O)[O-])C1	REAL300013218933	0	45	-2.0	-110.35	360.66	7.79	-102.56
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)(C(=O)[O-])C1	REAL300013218933	1	44	-3.0	-200.19	358.77	6.71	-193.48
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218934	1	42	-2.0	-117.75	341.99	7.82	-109.93
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218935	1	44	-2.0	-125.74	345.20	8.35	-117.39
CC1(C)CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1C(=O)[O-]	REAL300013218936	1	48	-2.0	-127.71	365.52	8.21	-119.50
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218937	1	52	-2.0	-132.33	387.00	10.57	-121.76
CC(C)CCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218938	1	50	-2.0	-116.61	389.08	7.62	-108.99
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218939	1	49	-2.0	-129.16	377.53	9.03	-120.13
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218940	1	49	-2.0	-114.66	383.62	5.58	-109.08
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013218941	1	46	-2.0	-119.18	378.80	8.87	-110.31
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218942	1	42	-2.0	-111.11	332.70	2.04	-109.07
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218943	1	39	-2.0	-118.89	317.88	1.34	-117.55
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCCC2CC21	REAL300013218944	1	49	-2.0	-125.84	364.10	8.26	-117.58
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCC2CC21	REAL300013218945	1	46	-2.0	-124.33	351.17	7.37	-116.96
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC2(CCC2)C1	REAL300013218946	1	49	-2.0	-125.23	378.56	7.99	-117.24
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCCC1	REAL300013218947	1	48	-2.0	-118.18	368.08	7.16	-111.02
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218948	1	45	-2.0	-118.61	358.77	4.75	-113.86
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218949	1	45	-2.0	-122.42	349.05	7.57	-114.85
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218950	1	48	-2.0	-119.48	387.80	10.62	-108.86
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013218951	1	48	-2.0	-129.03	369.62	8.36	-120.67
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218952	1	45	-2.0	-119.57	352.77	8.97	-110.60
O=C([O-])C1N(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCC1(F)F	REAL300013218953	1	42	-2.0	-120.44	341.06	7.62	-112.82
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218954	1	45	-2.0	-115.31	378.00	7.42	-107.89
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218955	1	45	-2.0	-112.19	364.96	8.38	-103.81
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218956	1	45	-2.0	-115.31	378.00	7.42	-107.89
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218957	1	49	-2.0	-127.48	373.84	8.94	-118.54
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=CC=C(O)C=C1	REAL300013218958	1	46	-2.0	-120.66	375.69	4.81	-115.85
COCCCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218959	1	48	-2.0	-116.95	383.68	5.40	-111.55
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218960	1	47	-2.0	-108.95	363.36	8.61	-100.34
CCOCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218961	1	45	-2.0	-119.17	362.47	4.71	-114.46
CC(C)(C)CC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218962	1	50	-2.0	-117.38	379.62	7.92	-109.46
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CCCCO1	REAL300013218963	1	49	-2.0	-121.41	379.87	6.11	-115.30
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC2=CC=CC=C2C1	REAL300013218964	1	49	-2.0	-126.62	382.87	8.68	-117.94
C[C@H]1OCCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)[C@@H]1C(=O)[O-]	REAL300013218965	1	46	-2.0	-124.28	352.97	7.04	-117.24
N#CCCC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218966	1	42	-2.0	-110.03	349.37	6.06	-103.97
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218967	1	45	-2.0	-118.69	375.89	9.00	-109.69
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013218968	1	41	-2.0	-107.17	321.90	6.86	-100.31
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013218969	1	49	-2.0	-119.80	391.18	8.26	-111.54
COCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013218972	1	44	-2.0	-130.26	385.47	6.80	-123.46
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013218973	1	46	-2.0	-123.44	399.29	10.57	-112.87
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013218974	1	41	-2.0	-123.31	365.23	9.55	-113.76
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013218975	1	42	-2.0	-125.66	365.58	5.56	-120.10
C=CC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013218976	1	44	-2.0	-123.68	394.63	8.33	-115.35
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013218977	1	43	-2.0	-125.21	374.21	7.51	-117.70
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013218978	1	44	-2.0	-139.28	372.37	10.55	-128.73
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013218979	1	41	-2.0	-133.23	363.70	9.20	-124.03
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013218980	1	44	-2.0	-131.83	374.94	8.16	-123.67
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013218981	1	34	-2.0	-107.59	320.46	5.35	-102.24
CCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013218982	1	40	-2.0	-124.06	362.26	7.21	-116.85
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013218983	1	43	-2.0	-125.21	374.21	7.51	-117.70
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013218984	1	37	-2.0	-120.34	341.32	8.31	-112.03
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013218985	1	38	-2.0	-127.81	352.69	3.02	-124.79
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013218986	1	38	-2.0	-127.81	352.69	3.02	-124.79
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013218987	1	37	-2.0	-108.90	341.25	6.18	-102.72
CCC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013218988	1	46	-2.0	-125.82	395.29	8.36	-117.46
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013218989	1	37	-2.0	-120.34	341.32	8.31	-112.03
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013218990	1	44	-2.0	-139.28	372.37	10.55	-128.73
CCCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013218991	1	46	-2.0	-128.24	388.72	8.27	-119.97
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013218992	1	43	-2.0	-122.45	373.37	9.64	-112.81
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013218993	1	41	-2.0	-123.31	365.23	9.55	-113.76
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1	REAL300013218994	1	41	-2.0	-122.45	375.95	9.86	-112.59
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013218995	1	46	-2.0	-123.44	399.29	10.57	-112.87
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013218996	1	40	-2.0	-105.48	353.83	6.58	-98.90
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013218997	1	44	-2.0	-130.07	376.79	8.25	-121.82
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013218998	1	43	-2.0	-122.45	373.37	9.64	-112.81
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1	REAL300013218999	1	43	-2.0	-122.30	384.63	10.06	-112.24
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1	REAL300013219000	1	40	-2.0	-121.45	363.13	9.30	-112.15
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013219001	1	38	-2.0	-127.81	352.69	3.02	-124.79
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219002	1	46	-2.0	-126.24	391.17	8.06	-118.18
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013219003	1	37	-2.0	-108.90	341.25	6.18	-102.72
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013219004	1	44	-2.0	-131.83	374.94	8.16	-123.67
CCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219005	1	43	-2.0	-127.30	367.23	7.52	-119.78
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013219006	1	37	-2.0	-108.90	341.25	6.18	-102.72
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1	REAL300013219007	1	40	-2.0	-121.45	363.13	9.30	-112.15
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013219008	1	42	-2.0	-134.49	372.60	5.44	-129.05
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013219009	1	37	-2.0	-108.88	338.41	6.03	-102.85
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013219010	1	38	-2.0	-131.09	347.39	7.32	-123.77
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013219011	1	42	-2.0	-132.84	363.69	8.13	-124.71
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013219012	1	41	-2.0	-125.22	366.83	7.58	-117.64
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1	REAL300013219013	1	44	-2.0	-123.15	394.51	8.47	-114.68
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013219014	1	41	-2.0	-132.91	364.45	8.93	-123.98
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013219015	1	44	-2.0	-138.41	374.87	10.38	-128.03
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013219016	1	42	-2.0	-132.01	374.91	5.81	-126.20
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013219017	1	40	-2.0	-114.80	352.56	8.34	-106.46
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013219018	1	41	-2.0	-133.20	363.67	9.22	-123.98
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013219019	1	41	-2.0	-131.85	361.09	7.75	-124.10
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219020	1	41	-2.0	-123.94	375.57	7.65	-116.29
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013219021	1	44	-2.0	-132.53	377.67	9.66	-122.87
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013219022	1	41	-2.0	-125.22	366.83	7.58	-117.64
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013219023	1	40	-2.0	-115.54	355.15	8.49	-107.05
CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219024	1	46	-2.0	-124.87	405.25	8.75	-116.12
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013219025	1	44	-2.0	-132.57	380.76	9.76	-122.81
COCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219026	1	41	-2.0	-126.92	374.46	5.42	-121.50
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013219027	1	46	-2.0	-126.54	390.71	8.20	-118.34
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)=N1	REAL300013219028	1	44	-2.0	-114.96	377.70	10.90	-104.06
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1	REAL300013219029	1	43	-2.0	-122.30	384.63	10.06	-112.24
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013219030	1	34	-2.0	-107.59	320.46	5.35	-102.24
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013219031	1	46	-2.0	-125.41	398.63	8.39	-117.02
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219032	1	44	-2.0	-124.87	397.40	8.52	-116.35
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013219033	1	37	-2.0	-108.18	344.70	6.21	-101.97
CCC(CC)(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219034	1	46	-2.0	-128.66	383.61	8.42	-120.24
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013219035	1	44	-2.0	-125.71	393.86	8.76	-116.95
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219036	1	44	-2.0	-122.58	396.76	6.26	-116.32
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013219037	1	40	-2.0	-119.12	368.84	7.35	-111.77
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013219038	1	40	-2.0	-114.30	352.57	8.34	-105.96
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013219039	1	42	-2.0	-137.30	366.87	9.69	-127.61
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013219040	1	46	-2.0	-126.54	390.71	8.20	-118.34
C=C(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219041	1	44	-2.0	-124.28	396.10	8.41	-115.87
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013219042	1	42	-2.0	-131.76	375.66	5.54	-126.22
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013219043	1	41	-2.0	-127.51	370.10	9.30	-118.21
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013219044	1	42	-2.0	-134.27	376.92	9.65	-124.62
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013219045	1	46	-2.0	-125.41	398.63	8.39	-117.02
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013219046	1	44	-2.0	-125.71	393.86	8.76	-116.95
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300013219047	1	41	-2.0	-123.65	369.84	4.30	-119.35
COC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219048	1	41	-2.0	-126.03	371.79	5.33	-120.70
CC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219049	1	40	-2.0	-123.44	359.94	7.09	-116.35
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013219050	1	41	-2.0	-132.91	364.45	8.93	-123.98
CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219051	1	43	-2.0	-124.84	384.59	7.96	-116.88
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300013219052	1	43	-2.0	-125.60	372.04	7.42	-118.18
CCN(C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(C)(C)C(=O)[O-]	REAL300013219053	1	46	-2.0	-129.77	388.86	10.24	-119.53
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(C)C(=O)[O-]	REAL300013219054	1	46	-2.0	-125.59	397.28	11.14	-114.45
CCC[C@@H](NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219055	1	43	-2.0	-124.60	381.19	7.92	-116.68
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300013219056	1	43	-2.0	-128.42	370.34	9.32	-119.10
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013219057	1	41	-2.0	-133.20	363.67	9.22	-123.98
C#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219059	1	39	-2.0	-124.10	369.36	7.61	-116.49
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013219060	1	40	-2.0	-115.54	355.15	8.49	-107.05
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219062	1	44	-2.0	-124.87	397.40	8.52	-116.35
CC#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219063	1	42	-2.0	-125.92	390.35	8.58	-117.34
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013219064	1	44	-2.0	-131.97	380.69	9.74	-122.23
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013219065	1	43	-2.0	-123.92	374.13	7.64	-116.28
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013219066	1	40	-2.0	-114.30	352.57	8.34	-105.96
CCC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219067	1	43	-2.0	-124.84	384.59	7.96	-116.88
CCN(C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(C)C(=O)[O-]	REAL300013219068	1	43	-2.0	-117.39	374.87	9.37	-108.02
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219069	1	46	-2.0	-126.24	391.17	8.06	-118.18
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1	REAL300013219070	1	43	-2.0	-115.16	373.01	9.42	-105.74
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219071	1	44	-2.0	-122.58	396.76	6.26	-116.32
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013219072	1	44	-2.0	-128.82	383.53	8.45	-120.37
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013219073	1	42	-2.0	-140.53	372.58	5.61	-134.92
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300013219074	1	41	-2.0	-127.96	367.56	8.96	-119.00
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013219075	1	44	-2.0	-126.76	380.05	8.07	-118.69
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013219076	1	44	-2.0	-126.76	380.05	8.07	-118.69
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300013219077	1	44	-2.0	-136.13	383.23	9.32	-126.81
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219078	1	41	-2.0	-123.94	375.57	7.65	-116.29
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013219079	1	39	-2.0	-122.62	351.87	4.78	-117.84
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300013219080	1	46	-2.0	-128.65	382.15	8.14	-120.51
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013219081	1	42	-2.0	-137.98	370.01	10.34	-127.64
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1	REAL300013219082	1	46	-2.0	-127.11	391.08	10.89	-116.22
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013219083	1	41	-2.0	-127.51	370.10	9.30	-118.21
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300013219084	1	41	-2.0	-119.87	367.02	3.71	-116.16
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013219085	1	38	-2.0	-127.81	352.69	3.02	-124.79
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219086	1	44	-2.0	-127.59	392.58	6.44	-121.15
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300013219087	1	44	-2.0	-133.94	386.03	8.86	-125.08
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1	REAL300013219088	1	46	-2.0	-117.53	397.12	10.25	-107.28
CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013219089	1	44	-2.0	-127.89	396.31	6.40	-121.49
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013219090	1	41	-2.0	-118.07	383.11	7.71	-110.36
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013219091	1	40	-2.0	-114.80	352.56	8.34	-106.46
COCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219092	1	44	-2.0	-127.66	390.38	6.92	-120.74
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013219093	1	46	-2.0	-122.11	404.20	10.70	-111.41
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013219094	1	41	-2.0	-121.16	364.04	9.52	-111.64
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013219095	1	42	-2.0	-123.86	373.65	5.80	-118.06
C=CC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219096	1	44	-2.0	-122.24	399.54	8.46	-113.78
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013219097	1	43	-2.0	-123.16	379.12	7.64	-115.52
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013219098	1	44	-2.0	-137.96	371.18	10.52	-127.44
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013219099	1	41	-2.0	-131.13	359.32	9.08	-122.05
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013219100	1	44	-2.0	-129.49	373.72	8.14	-121.35
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013219101	1	34	-2.0	-106.65	325.38	5.48	-101.17
CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219102	1	40	-2.0	-121.95	367.17	7.34	-114.61
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013219103	1	43	-2.0	-123.16	379.12	7.64	-115.52
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013219104	1	37	-2.0	-118.89	346.24	8.44	-110.45
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013219105	1	38	-2.0	-125.73	357.12	3.15	-122.58
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013219106	1	38	-2.0	-125.73	357.12	3.15	-122.58
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013219107	1	37	-2.0	-107.61	346.00	6.32	-101.29
CCC(C)C(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219108	1	46	-2.0	-125.03	402.99	8.52	-116.51
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013219109	1	37	-2.0	-118.89	346.24	8.44	-110.45
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013219110	1	44	-2.0	-137.96	371.18	10.52	-127.44
CCCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219111	1	46	-2.0	-125.65	393.64	8.39	-117.26
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013219112	1	43	-2.0	-120.85	378.28	9.77	-111.08
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013219113	1	41	-2.0	-121.16	364.04	9.52	-111.64
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1	REAL300013219114	1	41	-2.0	-121.10	380.86	9.99	-111.11
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013219115	1	46	-2.0	-122.11	404.20	10.70	-111.41
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013219116	1	40	-2.0	-104.58	358.75	6.71	-97.87
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013219117	1	44	-2.0	-127.37	384.54	8.46	-118.91
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013219118	1	43	-2.0	-120.85	378.28	9.77	-111.08
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1	REAL300013219119	1	43	-2.0	-121.01	389.55	10.19	-110.82
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1	REAL300013219120	1	40	-2.0	-119.88	368.05	9.43	-110.45
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013219121	1	38	-2.0	-125.76	357.61	3.15	-122.61
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219122	1	46	-2.0	-124.91	399.25	8.29	-116.62
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013219123	1	37	-2.0	-107.61	346.00	6.32	-101.29
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013219124	1	44	-2.0	-129.49	373.72	8.14	-121.35
CCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219125	1	43	-2.0	-124.65	372.14	7.64	-117.01
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013219126	1	37	-2.0	-107.63	346.00	6.32	-101.31
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1	REAL300013219127	1	40	-2.0	-119.88	368.05	9.43	-110.45
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013219128	1	42	-2.0	-132.55	376.60	5.53	-127.02
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013219129	1	37	-2.0	-107.78	346.17	6.31	-101.47
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013219130	1	38	-2.0	-128.52	352.26	7.45	-121.07
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013219131	1	42	-2.0	-131.42	362.61	7.97	-123.45
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013219132	1	41	-2.0	-124.64	377.73	7.87	-116.77
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1	REAL300013219133	1	44	-2.0	-121.98	399.42	8.60	-113.38
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013219134	1	41	-2.0	-130.87	369.30	9.06	-121.81
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013219135	1	44	-2.0	-138.09	371.32	10.56	-127.53
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013219136	1	42	-2.0	-129.76	379.88	5.95	-123.81
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013219137	1	40	-2.0	-113.23	360.63	8.56	-104.67
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013219138	1	41	-2.0	-131.63	360.05	8.82	-122.81
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013219139	1	41	-2.0	-129.67	359.87	7.72	-121.95
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219140	1	41	-2.0	-121.93	381.32	7.76	-114.17
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013219141	1	44	-2.0	-129.86	385.73	9.88	-119.98
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013219142	1	41	-2.0	-124.64	377.73	7.87	-116.77
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013219143	1	40	-2.0	-113.93	360.21	8.68	-105.25
CCCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219144	1	46	-2.0	-122.89	411.00	8.86	-114.03
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013219145	1	44	-2.0	-129.88	381.75	9.74	-120.14
COCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219146	1	41	-2.0	-124.88	379.37	5.55	-119.33
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013219147	1	46	-2.0	-125.15	398.80	8.43	-116.72
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)=N1	REAL300013219148	1	44	-2.0	-115.01	378.95	9.65	-105.36
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1	REAL300013219149	1	43	-2.0	-121.01	389.55	10.19	-110.82
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013219150	1	34	-2.0	-106.65	325.38	5.48	-101.17
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013219151	1	46	-2.0	-123.87	406.46	8.68	-115.19
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219152	1	44	-2.0	-122.70	402.31	8.64	-114.06
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013219153	1	37	-2.0	-106.94	349.62	6.34	-100.60
CCC(CC)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219154	1	46	-2.0	-126.55	388.81	8.54	-118.01
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013219155	1	44	-2.0	-123.48	398.78	8.89	-114.59
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219156	1	44	-2.0	-120.44	400.84	6.40	-114.04
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013219157	1	40	-2.0	-117.13	374.59	7.45	-109.68
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013219158	1	40	-2.0	-113.24	360.64	8.56	-104.68
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013219159	1	42	-2.0	-135.85	365.67	9.67	-126.18
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013219160	1	46	-2.0	-125.15	398.80	8.43	-116.72
C=C(C)CC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219161	1	44	-2.0	-122.15	401.89	8.51	-113.64
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013219162	1	42	-2.0	-129.97	380.63	5.67	-124.30
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013219163	1	41	-2.0	-125.02	374.99	9.43	-115.59
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(CC3=CC=C(F)C=C3F)S2)C1	REAL300013219164	1	42	-2.0	-131.66	381.78	9.78	-121.88
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013219165	1	46	-2.0	-123.87	406.46	8.68	-115.19
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013219166	1	44	-2.0	-123.48	398.78	8.89	-114.59
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300013219167	1	41	-2.0	-121.75	374.27	4.42	-117.33
COC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219168	1	41	-2.0	-124.80	379.86	5.55	-119.25
CC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219169	1	40	-2.0	-122.16	368.00	7.32	-114.84
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013219170	1	41	-2.0	-130.87	369.30	9.06	-121.81
CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219171	1	43	-2.0	-122.54	388.67	8.10	-114.44
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300013219172	1	43	-2.0	-123.72	385.03	7.90	-115.82
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(C)(C)C(=O)[O-]	REAL300013219173	1	46	-2.0	-126.89	394.12	10.30	-116.59
CCCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(C)C(=O)[O-]	REAL300013219174	1	46	-2.0	-124.05	401.92	11.23	-112.82
CCC[C@@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219175	1	43	-2.0	-122.65	389.50	8.08	-114.57
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300013219176	1	43	-2.0	-126.73	374.33	9.45	-117.28
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013219177	1	41	-2.0	-131.63	360.05	8.82	-122.81
C#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219179	1	39	-2.0	-121.78	373.44	7.75	-114.03
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013219180	1	40	-2.0	-113.93	360.21	8.68	-105.25
C=CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219182	1	44	-2.0	-122.70	402.31	8.64	-114.06
CC#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219183	1	42	-2.0	-123.68	395.27	8.71	-114.97
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013219184	1	44	-2.0	-129.97	385.59	9.88	-120.09
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013219185	1	43	-2.0	-123.75	385.04	7.89	-115.86
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013219186	1	40	-2.0	-113.24	360.64	8.56	-104.68
CCC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219187	1	43	-2.0	-122.73	389.50	8.08	-114.65
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(C)C(=O)[O-]	REAL300013219188	1	43	-2.0	-115.74	379.04	9.49	-106.25
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219189	1	46	-2.0	-124.91	399.25	8.29	-116.62
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1	REAL300013219190	1	43	-2.0	-114.03	381.09	9.65	-104.38
COCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219191	1	44	-2.0	-120.44	400.84	6.40	-114.04
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013219192	1	44	-2.0	-126.32	389.46	8.66	-117.66
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013219193	1	42	-2.0	-137.43	375.23	5.71	-131.72
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300013219194	1	41	-2.0	-126.70	366.33	8.94	-117.76
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013219195	1	44	-2.0	-125.58	388.65	8.22	-117.36
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013219196	1	44	-2.0	-125.58	388.65	8.22	-117.36
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300013219197	1	44	-2.0	-133.99	382.04	9.29	-124.70
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219198	1	41	-2.0	-121.93	381.32	7.76	-114.17
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013219199	1	39	-2.0	-121.16	350.67	4.76	-116.40
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300013219200	1	46	-2.0	-126.15	388.87	8.33	-117.82
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013219201	1	42	-2.0	-135.35	371.85	10.36	-124.99
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1	REAL300013219202	1	46	-2.0	-115.31	395.67	10.42	-104.89
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013219203	1	41	-2.0	-125.02	374.99	9.43	-115.59
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300013219204	1	41	-2.0	-117.90	371.95	3.85	-114.05
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013219205	1	38	-2.0	-125.76	357.61	3.15	-122.61
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219206	1	44	-2.0	-125.42	398.00	6.56	-118.86
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300013219207	1	44	-2.0	-131.21	386.89	8.84	-122.37
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1	REAL300013219208	1	46	-2.0	-115.69	402.04	10.38	-105.31
CCOCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013219209	1	44	-2.0	-125.63	401.71	6.53	-119.10
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013219210	1	41	-2.0	-116.05	388.86	7.81	-108.24
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013219211	1	40	-2.0	-113.23	360.63	8.56	-104.67
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013219212	1	41	-2.0	-121.04	374.38	9.97	-111.07
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013219213	1	43	-2.0	-123.03	389.45	8.10	-114.93
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013219214	1	41	-2.0	-130.89	369.66	9.53	-121.36
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013219215	1	34	-2.0	-106.43	335.71	5.94	-100.49
CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013219216	1	40	-2.0	-121.91	377.49	7.79	-114.12
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013219217	1	43	-2.0	-123.03	389.45	8.10	-114.93
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013219218	1	37	-2.0	-118.71	356.56	8.90	-109.81
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013219219	1	38	-2.0	-125.66	367.44	3.60	-122.06
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013219220	1	38	-2.0	-125.66	367.44	3.60	-122.06
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013219221	1	37	-2.0	-107.46	356.33	6.78	-100.68
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013219222	1	37	-2.0	-118.71	356.56	8.90	-109.81
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013219223	1	43	-2.0	-120.63	388.60	10.22	-110.41
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013219224	1	41	-2.0	-121.04	374.38	9.97	-111.07
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1	REAL300013219225	1	41	-2.0	-120.96	391.18	10.44	-110.52
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013219226	1	40	-2.0	-104.40	369.07	7.16	-97.24
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013219227	1	43	-2.0	-120.63	388.60	10.22	-110.41
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1	REAL300013219228	1	43	-2.0	-120.82	399.80	10.64	-110.18
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1	REAL300013219229	1	40	-2.0	-119.80	378.37	9.88	-109.92
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013219230	1	38	-2.0	-125.65	367.44	3.60	-122.05
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013219231	1	37	-2.0	-107.46	356.33	6.78	-100.68
CCC(C)(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013219232	1	43	-2.0	-124.54	382.46	8.10	-116.44
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013219233	1	37	-2.0	-107.51	356.49	6.76	-100.75
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1	REAL300013219234	1	40	-2.0	-119.80	378.37	9.88	-109.92
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013219235	1	37	-2.0	-107.57	356.49	6.76	-100.81
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013219236	1	38	-2.0	-128.45	362.59	7.91	-120.54
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013219237	1	41	-2.0	-123.89	385.23	8.26	-115.63
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013219238	1	41	-2.0	-130.76	379.62	9.51	-121.25
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013219239	1	40	-2.0	-113.08	370.96	9.01	-104.07
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013219240	1	41	-2.0	-131.38	370.37	9.28	-122.10
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013219241	1	41	-2.0	-129.53	370.19	8.18	-121.35
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013219242	1	41	-2.0	-121.83	391.64	8.21	-113.62
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013219243	1	41	-2.0	-123.89	385.23	8.26	-115.63
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013219244	1	40	-2.0	-113.65	370.39	9.07	-104.58
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1	REAL300013219245	1	43	-2.0	-120.82	399.80	10.64	-110.18
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013219246	1	34	-2.0	-106.43	335.71	5.94	-100.49
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013219247	1	37	-2.0	-106.86	360.11	6.78	-100.08
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013219248	1	40	-2.0	-113.12	370.96	9.02	-104.10
CC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013219249	1	40	-2.0	-122.07	378.32	7.77	-114.30
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013219250	1	41	-2.0	-130.76	379.62	9.51	-121.25
CCCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013219251	1	43	-2.0	-122.58	399.82	8.53	-114.05
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300013219252	1	43	-2.0	-123.25	389.77	8.18	-115.07
CCC[C@@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013219253	1	43	-2.0	-122.48	399.58	8.60	-113.88
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300013219254	1	43	-2.0	-126.54	384.66	9.90	-116.64
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013219255	1	41	-2.0	-131.38	370.37	9.28	-122.10
C#CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013219256	1	39	-2.0	-121.84	384.59	8.18	-113.66
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013219257	1	40	-2.0	-113.65	370.39	9.07	-104.58
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013219258	1	43	-2.0	-122.48	392.50	8.32	-114.16
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013219259	1	40	-2.0	-113.12	370.96	9.02	-104.10
CCC[C@H](NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013219260	1	43	-2.0	-122.55	399.82	8.54	-114.01
CCN(C(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1)C(C)C(=O)[O-]	REAL300013219261	1	43	-2.0	-115.54	389.37	9.94	-105.60
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1	REAL300013219262	1	43	-2.0	-113.82	391.41	10.10	-103.72
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300013219263	1	41	-2.0	-126.52	376.67	9.39	-117.13
C=CCC(NC(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013219264	1	41	-2.0	-121.83	391.64	8.21	-113.62
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013219265	1	39	-2.0	-120.93	361.00	5.21	-115.72
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013219266	1	38	-2.0	-125.65	367.44	3.60	-122.05
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013219267	1	40	-2.0	-113.08	370.96	9.01	-104.07
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219268	1	51	-2.0	-115.55	405.02	6.28	-109.27
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219269	1	48	-2.0	-116.21	396.76	8.82	-107.39
CC1=CC=C(C(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(=O)[O-])C=C1	REAL300013219270	1	45	-2.0	-120.48	382.82	5.90	-114.58
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219271	1	38	-2.0	-107.11	341.45	3.76	-103.35
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCSCC1	REAL300013219272	1	43	-2.0	-113.20	352.72	4.85	-108.35
COCC(C)(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219273	1	42	-2.0	-117.88	347.90	2.63	-115.25
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219274	1	45	-2.0	-107.99	370.63	4.75	-103.24
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219275	1	44	-2.0	-113.04	361.48	6.22	-106.82
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CC1	REAL300013219276	1	39	-2.0	-111.78	330.82	5.52	-106.26
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219277	1	41	-2.0	-107.89	365.20	6.31	-101.58
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCOC1	REAL300013219278	1	40	-2.0	-114.00	331.17	1.47	-112.53
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCCCC1	REAL300013219279	1	48	-2.0	-117.43	379.26	5.27	-112.16
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=C(O)C=C1	REAL300013219280	1	43	-2.0	-117.37	372.47	2.36	-115.01
CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(COC1CCC1)C(=O)[O-]	REAL300013219281	1	49	-2.0	-109.09	397.18	6.05	-103.04
C=CCOCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219282	1	43	-2.0	-116.65	372.00	2.90	-113.75
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219283	1	43	-2.0	-130.53	345.88	3.85	-126.68
C=CC(C)C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219284	1	42	-2.0	-111.79	355.54	4.22	-107.57
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCOCC1	REAL300013219285	1	46	-2.0	-116.30	369.45	2.93	-113.37
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=C(F)C(F)=C1	REAL300013219286	1	42	-2.0	-110.39	374.16	5.33	-105.06
COC1CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(C(=O)[O-])C1	REAL300013219287	1	46	-2.0	-124.85	370.61	5.41	-119.44
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCCOC1	REAL300013219288	1	46	-2.0	-112.83	369.41	2.95	-109.88
CC1CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(C(=O)[O-])C1	REAL300013219289	1	45	-2.0	-126.52	352.31	6.78	-119.74
CC1=CC(C(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(=O)[O-])=CC=C1F	REAL300013219290	1	45	-2.0	-113.46	388.40	5.84	-107.62
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(=O)[O-])=C1	REAL300013219291	1	48	-2.0	-122.13	403.87	6.50	-115.63
CC1=CC=C(C(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(=O)[O-])C=C1C	REAL300013219292	1	48	-2.0	-122.40	400.12	6.34	-116.06
CC(C)C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219293	1	41	-2.0	-113.58	342.56	3.63	-109.95
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219294	1	42	-2.0	-125.46	337.97	6.45	-119.01
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=C(Cl)C=C1	REAL300013219295	1	42	-2.0	-113.49	378.43	5.66	-107.83
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219296	1	40	-2.0	-117.85	338.20	6.44	-111.41
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCCCC1	REAL300013219297	1	45	-2.0	-119.71	355.04	5.18	-114.53
O=C([O-])C1CCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219298	1	39	-2.0	-120.33	326.12	5.05	-115.28
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCCC1	REAL300013219299	1	42	-2.0	-119.86	339.99	4.04	-115.82
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCCCCC1	REAL300013219300	1	48	-2.0	-120.49	360.70	5.84	-114.65
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219301	1	45	-2.0	-114.51	383.89	6.07	-108.44
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219302	1	45	-2.0	-115.85	384.56	8.17	-107.68
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=CC=C1	REAL300013219303	1	42	-2.0	-120.26	361.45	5.21	-115.05
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=CC=C1	REAL300013219304	1	42	-2.0	-120.25	361.65	5.13	-115.12
CCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219305	1	38	-2.0	-112.22	325.28	3.12	-109.10
CC(C)C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219306	1	41	-2.0	-113.58	342.56	3.63	-109.95
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219307	1	36	-2.0	-116.00	315.13	-1.10	-117.10
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219308	1	36	-2.0	-116.00	315.13	-1.10	-117.10
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219309	1	45	-2.0	-114.51	383.89	6.07	-108.44
CCC(C)C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219310	1	44	-2.0	-114.80	356.17	4.04	-110.76
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219311	1	42	-2.0	-125.46	337.97	6.45	-119.01
CCCC(C)(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219312	1	44	-2.0	-115.81	351.16	4.10	-111.71
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219313	1	41	-2.0	-111.40	335.79	5.51	-105.89
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CC1	REAL300013219314	1	39	-2.0	-111.78	330.82	5.52	-106.26
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219315	1	39	-2.0	-113.06	338.38	5.73	-107.33
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219316	1	44	-2.0	-113.04	361.48	6.22	-106.82
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219317	1	46	-2.0	-127.33	376.56	8.63	-118.70
CC(C)(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219318	1	38	-2.0	-96.60	316.27	2.44	-94.16
CC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)(C(=O)[O-])C1CC1	REAL300013219319	1	42	-2.0	-117.28	339.76	4.05	-113.23
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=CS1	REAL300013219320	1	39	-2.0	-117.34	353.32	4.23	-113.11
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCCCC1	REAL300013219321	1	45	-2.0	-119.71	355.04	5.18	-114.53
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219322	1	41	-2.0	-111.40	335.79	5.51	-105.89
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219323	1	41	-2.0	-112.93	347.06	5.93	-107.00
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219324	1	38	-2.0	-110.51	325.57	5.17	-105.34
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219325	1	36	-2.0	-115.80	314.63	-1.11	-116.91
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219326	1	44	-2.0	-114.56	356.76	4.03	-110.53
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCCC1	REAL300013219327	1	42	-2.0	-119.86	339.99	4.04	-115.82
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219328	1	45	-2.0	-110.42	390.97	8.24	-102.18
CCC(C)(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219329	1	41	-2.0	-114.92	329.66	3.34	-111.58
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC2=CC=CC=C2C1	REAL300013219330	1	46	-2.0	-123.06	379.64	6.23	-116.83
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC(F)=CC=C1F	REAL300013219331	1	42	-2.0	-118.75	371.74	5.31	-113.44
CC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013219332	1	45	-2.0	-121.87	369.78	5.84	-116.03
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219333	1	38	-2.0	-110.51	325.57	5.17	-105.34
CCCCCCC(C)(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219334	1	53	-2.0	-116.51	415.65	6.43	-110.08
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219335	1	40	-2.0	-121.82	337.38	1.64	-120.18
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013219336	1	36	-2.0	-118.20	309.85	3.14	-115.06
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=C(Cl)C=C1	REAL300013219337	1	42	-2.0	-113.49	378.43	5.66	-107.83
O=C([O-])C1COCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219338	1	40	-2.0	-119.28	329.29	4.02	-115.26
CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013219339	1	48	-2.0	-119.75	366.32	6.72	-113.03
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CC1	REAL300013219340	1	39	-2.0	-114.61	329.75	3.54	-111.07
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219341	1	48	-2.0	-115.78	406.97	8.95	-106.83
CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013219342	1	45	-2.0	-114.17	371.23	7.12	-107.05
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219343	1	42	-2.0	-114.21	356.94	4.34	-109.87
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCC2=CC=CC=C21	REAL300013219344	1	46	-2.0	-126.89	376.37	6.11	-120.78
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219345	1	39	-2.0	-120.66	326.93	4.79	-115.87
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219346	1	42	-2.0	-125.52	338.05	6.48	-119.04
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219347	1	40	-2.0	-119.65	338.10	1.40	-118.25
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219348	1	38	-2.0	-104.11	318.66	4.41	-99.70
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219349	1	39	-2.0	-120.74	326.96	4.79	-115.95
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCC1	REAL300013219350	1	39	-2.0	-118.96	326.68	3.66	-115.30
C=CCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219351	1	39	-2.0	-112.27	338.56	3.58	-108.69
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219352	1	42	-2.0	-120.16	343.27	5.59	-114.57
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219353	1	45	-2.0	-125.00	353.14	7.07	-117.93
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CC1	REAL300013219354	1	39	-2.0	-114.61	329.75	3.54	-111.07
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219355	1	38	-2.0	-104.01	318.15	4.30	-99.71
CCCCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219356	1	44	-2.0	-112.80	368.28	4.67	-108.13
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=CC(O)=C1	REAL300013219357	1	43	-2.0	-119.40	372.48	2.35	-117.05
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219358	1	48	-2.0	-115.78	406.97	8.95	-106.83
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219359	1	42	-2.0	-120.37	343.23	5.58	-114.79
CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013219360	1	48	-2.0	-119.75	366.32	6.72	-113.03
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCCC1	REAL300013219361	1	45	-2.0	-114.39	362.88	6.81	-107.58
COCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219362	1	39	-2.0	-115.01	337.38	1.30	-113.71
CCCCCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219363	1	47	-2.0	-112.98	390.02	5.39	-107.59
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219364	1	44	-2.0	-114.29	354.69	4.18	-110.11
CCC1CCC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)(C(=O)[O-])CC1	REAL300013219365	1	51	-2.0	-120.29	394.11	6.42	-113.87
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCOCC1	REAL300013219366	1	46	-2.0	-114.12	370.34	5.06	-109.06
CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1(C(=O)[O-])CCCC1	REAL300013219367	1	45	-2.0	-123.65	354.43	6.25	-117.40
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CC1	REAL300013219368	1	42	-2.0	-103.88	343.28	6.86	-97.02
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CC1	REAL300013219369	1	45	-2.0	-108.61	360.35	7.08	-101.53
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=CC=C1Cl	REAL300013219370	1	42	-2.0	-120.22	372.44	5.61	-114.61
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=CC=C1F	REAL300013219371	1	42	-2.0	-123.93	365.85	5.30	-118.63
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219372	1	46	-2.0	-119.75	378.65	7.89	-111.86
CC1=CC=CC(C(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(=O)[O-])=C1C	REAL300013219373	1	48	-2.0	-121.84	394.46	6.26	-115.58
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219374	1	41	-2.0	-112.93	347.06	5.93	-107.00
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CC1	REAL300013219375	1	46	-2.0	-106.27	374.06	6.44	-99.83
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCC1	REAL300013219376	1	45	-2.0	-106.49	359.38	6.24	-100.25
CCCN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(COC)C(=O)[O-]	REAL300013219377	1	48	-2.0	-110.54	385.10	5.47	-105.07
CCCN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(CC)C(=O)[O-]	REAL300013219378	1	47	-2.0	-107.08	373.85	6.88	-100.20
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219379	1	44	-2.0	-113.81	364.22	4.36	-109.45
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCOCC1	REAL300013219380	1	43	-2.0	-115.67	346.48	2.69	-112.98
C=CCCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219381	1	42	-2.0	-112.60	359.59	4.45	-108.15
O=C([O-])C(CF)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219382	1	35	-2.0	-98.21	307.31	2.06	-96.15
CCC(CC)(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219383	1	44	-2.0	-116.89	346.05	4.23	-112.66
COC1=CC=C(C(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(=O)[O-])C=C1	REAL300013219384	1	46	-2.0	-117.85	391.20	4.44	-113.41
CCC(COC)(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219385	1	45	-2.0	-119.55	364.58	3.53	-116.02
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219386	1	42	-2.0	-113.35	357.40	4.56	-108.79
COCCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219387	1	42	-2.0	-110.84	358.95	2.18	-108.66
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219388	1	38	-2.0	-107.38	337.63	3.41	-103.97
CCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013219389	1	48	-2.0	-123.34	386.39	6.69	-116.65
COC1CCCC(C(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(=O)[O-])C1	REAL300013219390	1	52	-2.0	-119.80	411.73	4.27	-115.53
O=C([O-])C(CCF)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219391	1	38	-2.0	-107.73	331.87	3.26	-104.47
COC1(CC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(=O)[O-])CCC1	REAL300013219392	1	49	-2.0	-117.00	395.61	4.48	-112.52
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCOCC1	REAL300013219393	1	46	-2.0	-114.12	370.34	5.06	-109.06
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCCCC1	REAL300013219394	1	48	-2.0	-115.69	379.30	7.44	-108.25
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)(C(=O)[O-])CC1	REAL300013219395	1	48	-2.0	-120.43	368.86	5.57	-114.86
COC1=CC=CC(C(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(=O)[O-])=C1	REAL300013219396	1	46	-2.0	-121.95	390.96	4.50	-117.45
CC(CCF)(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219397	1	41	-2.0	-109.99	336.25	3.48	-106.51
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC(C3CCOCC3)=CS1)OC=C2	REAL300013219398	1	43	-2.0	-115.86	361.26	6.07	-109.79
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(=O)[O-])=C1	REAL300013219399	1	46	-2.0	-121.87	391.15	4.42	-117.45
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219400	1	38	-2.0	-104.01	318.66	4.41	-99.60
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013219401	1	48	-2.0	-120.98	392.88	7.02	-113.96
CC1(C)CCCC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)(C(=O)[O-])C1	REAL300013219402	1	51	-2.0	-121.76	382.96	6.05	-115.71
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219403	1	40	-2.0	-124.17	332.47	5.59	-118.58
COC1CN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(C)(C(=O)[O-])C1	REAL300013219404	1	46	-2.0	-121.36	375.02	4.63	-116.73
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219405	1	49	-2.0	-115.32	392.69	4.57	-110.75
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219406	1	44	-2.0	-114.29	354.69	4.18	-110.11
C=C(Cl)CC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219407	1	39	-2.0	-110.69	353.99	4.19	-106.50
C=C(C)CC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219408	1	42	-2.0	-112.32	358.67	4.36	-107.96
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219409	1	43	-2.0	-124.06	346.02	6.33	-117.73
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219410	1	40	-2.0	-119.30	338.17	1.40	-117.90
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219411	1	39	-2.0	-110.26	339.13	5.19	-105.07
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219412	1	39	-2.0	-115.09	332.60	5.13	-109.96
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013219413	1	40	-2.0	-121.22	339.35	5.48	-115.74
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219414	1	49	-2.0	-113.43	396.15	3.90	-109.53
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219415	1	44	-2.0	-113.81	364.22	4.36	-109.45
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCOCC1	REAL300013219416	1	46	-2.0	-116.30	369.45	2.93	-113.37
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=CC=C1	REAL300013219417	1	42	-2.0	-120.25	361.65	5.13	-115.12
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219418	1	42	-2.0	-113.35	357.40	4.56	-108.79
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219419	1	41	-2.0	-112.36	369.67	3.26	-109.10
CC(C)CCCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219420	1	50	-2.0	-113.35	407.35	5.95	-107.40
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219421	1	46	-2.0	-119.70	381.47	3.50	-116.20
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219422	1	39	-2.0	-111.61	332.27	0.17	-111.44
CSCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219423	1	39	-2.0	-112.75	348.98	3.48	-109.27
COC[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219424	1	39	-2.0	-114.85	336.89	1.29	-113.56
CC[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219425	1	38	-2.0	-111.92	324.69	3.08	-108.84
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219426	1	45	-2.0	-110.50	390.12	6.20	-104.30
CCC(C)CC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219427	1	47	-2.0	-114.08	382.21	5.08	-109.00
C=CCCCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219428	1	45	-2.0	-112.80	381.33	5.17	-107.63
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219429	1	45	-2.0	-110.48	390.31	6.14	-104.34
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219430	1	40	-2.0	-117.85	338.20	6.44	-111.41
CC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013219431	1	45	-2.0	-121.87	369.78	5.84	-116.03
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219432	1	39	-2.0	-120.66	326.93	4.79	-115.87
CCCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219433	1	41	-2.0	-112.67	346.78	3.89	-108.78
CC(C)[C@@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219434	1	41	-2.0	-113.37	336.97	3.47	-109.90
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219435	1	43	-2.0	-126.42	348.84	6.68	-119.74
CCN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(C)(C)C(=O)[O-]	REAL300013219436	1	44	-2.0	-118.03	351.30	6.04	-111.99
CCCN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(C)C(=O)[O-]	REAL300013219437	1	44	-2.0	-107.13	356.29	5.93	-101.20
CCC[C@@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219438	1	41	-2.0	-112.66	346.77	3.89	-108.77
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219439	1	43	-2.0	-126.96	350.25	6.09	-120.87
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=CC=C1	REAL300013219440	1	42	-2.0	-120.26	361.45	5.21	-115.05
CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(C)(C)C(=O)[O-]	REAL300013219441	1	41	-2.0	-116.76	332.80	5.18	-111.58
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219442	1	39	-2.0	-120.74	326.96	4.79	-115.95
CCC(C)CC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219445	1	47	-2.0	-114.08	382.21	5.08	-109.00
C#CCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219446	1	37	-2.0	-112.10	331.79	3.48	-108.62
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219447	1	48	-2.0	-111.93	388.76	8.01	-103.92
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219448	1	38	-2.0	-104.01	318.15	4.30	-99.71
CC(C)=CCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219449	1	45	-2.0	-114.23	377.92	5.03	-109.20
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219450	1	44	-2.0	-111.78	378.83	4.37	-107.41
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219451	1	48	-2.0	-108.45	390.29	5.41	-103.04
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219452	1	47	-2.0	-108.00	377.81	6.79	-101.21
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=CC=N1	REAL300013219453	1	41	-2.0	-123.38	358.06	3.56	-119.82
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219454	1	48	-2.0	-122.91	380.67	7.50	-115.41
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219455	1	48	-2.0	-111.86	389.32	8.14	-103.72
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219458	1	44	-2.0	-111.78	378.83	4.37	-107.41
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=CN=C1	REAL300013219459	1	41	-2.0	-117.02	356.59	3.35	-113.67
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219460	1	46	-2.0	-121.73	371.68	5.77	-115.96
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219461	0	46	-2.0	-123.83	380.07	9.02	-114.81
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219462	1	47	-2.0	-112.35	400.97	5.10	-107.25
C=CCCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219463	1	42	-2.0	-112.60	359.59	4.45	-108.15
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219464	1	41	-2.0	-113.91	370.23	3.13	-110.78
CC#CCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219465	1	40	-2.0	-113.90	353.62	4.43	-109.47
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1=O	REAL300013219466	1	43	-2.0	-114.89	354.62	4.37	-110.52
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219467	1	42	-2.0	-120.37	343.21	5.58	-114.79
CC(C)[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219468	1	41	-2.0	-112.87	340.65	3.67	-109.20
O=C([O-])[C@@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=CC=C1	REAL300013219469	1	42	-2.0	-119.91	361.04	5.16	-114.75
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219470	1	45	-2.0	-120.75	375.48	4.41	-116.34
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219471	1	38	-2.0	-104.01	318.66	4.41	-99.60
CCC[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219472	1	41	-2.0	-112.35	346.18	3.84	-108.51
CCN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(C)C(=O)[O-]	REAL300013219473	1	41	-2.0	-105.33	335.34	5.20	-100.13
O=C([O-])CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCCC1	REAL300013219474	1	45	-2.0	-114.39	362.88	6.81	-107.58
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219475	1	44	-2.0	-114.56	356.76	4.03	-110.53
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219476	1	41	-2.0	-105.37	338.05	5.35	-100.02
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC(CO)C1	REAL300013219477	1	43	-2.0	-123.78	357.20	0.83	-122.95
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219478	1	51	-2.0	-119.17	409.00	4.37	-114.80
CC1CCC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)(C(=O)[O-])C1	REAL300013219479	1	45	-2.0	-120.45	360.56	4.68	-115.77
CC1(C)CCCC1(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219480	1	48	-2.0	-122.43	369.39	5.31	-117.12
COCCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219481	1	42	-2.0	-110.84	358.95	2.18	-108.66
CC1(C)CC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)(C(=O)[O-])C1	REAL300013219482	1	45	-2.0	-120.70	363.09	5.36	-115.34
CC1(C(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(=O)[O-])CC1	REAL300013219483	1	42	-2.0	-115.54	354.25	4.19	-111.35
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219484	1	51	-2.0	-119.13	409.41	4.34	-114.79
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219485	1	40	-2.0	-127.85	338.16	1.58	-126.27
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCOC1	REAL300013219486	1	43	-2.0	-111.37	352.69	2.07	-109.30
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219487	1	43	-2.0	-123.74	348.50	6.18	-117.56
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC(C3CCOCC3)=CS1)C2	REAL300013219488	1	41	-2.0	-119.54	339.97	3.81	-115.73
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013219489	1	45	-2.0	-126.18	359.04	7.00	-119.18
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219490	1	48	-2.0	-115.47	398.84	6.40	-109.07
CN(C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1(C(=O)[O-])CC1	REAL300013219491	1	39	-2.0	-113.25	332.16	4.83	-108.42
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219492	1	49	-2.0	-115.54	398.35	6.20	-109.34
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCC1	REAL300013219493	1	42	-2.0	-114.89	350.39	4.11	-110.78
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCCCC1	REAL300013219494	1	48	-2.0	-117.43	379.26	5.27	-112.16
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCC1	REAL300013219495	1	42	-2.0	-114.89	350.39	4.11	-110.78
CC1CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1C(=O)[O-]	REAL300013219496	1	42	-2.0	-123.28	348.82	5.29	-117.99
C=CCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219497	1	39	-2.0	-112.27	338.56	3.58	-108.69
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219498	1	49	-2.0	-117.32	397.76	4.80	-112.52
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219499	1	49	-2.0	-125.84	373.62	6.94	-118.90
CC1(C)CC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)(C(=O)[O-])CCO1	REAL300013219500	1	49	-2.0	-116.78	375.55	3.98	-112.80
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219501	1	49	-2.0	-115.54	398.35	6.20	-109.34
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219502	1	45	-2.0	-112.22	390.12	6.20	-106.02
COC1CC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)(C(=O)[O-])C1	REAL300013219503	1	43	-2.0	-115.68	358.23	2.53	-113.15
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC(F)(F)C1	REAL300013219504	1	39	-2.0	-112.74	335.24	3.69	-109.05
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)(C(=O)[O-])C1	REAL300013219505	1	43	-2.0	-121.38	358.58	2.93	-118.45
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1(C(F)(F)F)CC1	REAL300013219506	1	42	-2.0	-109.54	366.00	4.57	-104.97
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219507	1	45	-2.0	-122.28	356.50	6.79	-115.49
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219508	1	38	-2.0	-107.11	341.45	3.76	-103.35
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219509	1	46	-2.0	-113.63	379.09	3.14	-110.49
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)COC1	REAL300013219510	1	37	-2.0	-110.98	317.47	0.70	-110.28
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219511	1	42	-2.0	-113.18	376.15	5.07	-108.11
CC(C)C(C)(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219512	1	44	-2.0	-116.20	344.58	3.97	-112.23
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219513	1	40	-2.0	-125.16	333.54	6.14	-119.02
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219514	1	43	-2.0	-124.33	349.25	5.69	-118.64
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219515	1	48	-2.0	-111.86	389.32	8.14	-103.72
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219516	1	51	-2.0	-115.55	405.02	6.28	-109.27
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219517	1	48	-2.0	-114.80	406.92	6.84	-107.96
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219518	1	48	-2.0	-114.88	406.68	6.91	-107.97
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CC2CCC1C2	REAL300013219519	1	49	-2.0	-118.16	387.31	5.92	-112.24
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219520	1	51	-2.0	-115.86	405.63	6.34	-109.52
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219521	1	51	-2.0	-115.75	405.86	6.27	-109.48
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219522	1	49	-2.0	-125.14	388.42	7.08	-118.06
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219523	1	49	-2.0	-125.04	384.95	6.81	-118.23
C=CCSCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219524	1	43	-2.0	-113.53	383.50	4.86	-108.67
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219525	1	44	-2.0	-106.15	352.35	6.17	-99.98
COC1(C(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C(=O)[O-])CCC1	REAL300013219526	1	46	-2.0	-119.84	373.76	2.84	-117.00
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC(C(F)F)C1	REAL300013219527	1	42	-2.0	-118.66	358.48	4.49	-114.17
O=C([O-])C1CC(NC(=O)NC2=NC(C3CCOCC3)=CS2)(C(=O)[O-])C1	REAL300013219528	0	42	-2.0	-115.54	358.78	5.46	-110.08
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)(C(=O)[O-])C1	REAL300013219528	1	41	-3.0	-195.03	355.87	4.23	-190.80
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219529	1	39	-2.0	-115.09	332.60	5.13	-109.96
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219530	1	41	-2.0	-121.77	341.96	5.90	-115.87
CC1(C)CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1C(=O)[O-]	REAL300013219531	1	45	-2.0	-123.77	360.09	5.82	-117.95
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219532	1	49	-2.0	-128.09	382.36	8.01	-120.08
CC(C)CCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219533	1	47	-2.0	-113.31	386.09	5.13	-108.18
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219534	1	46	-2.0	-126.27	375.77	6.60	-119.67
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219535	1	46	-2.0	-113.63	379.09	3.14	-110.49
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013219536	1	43	-2.0	-116.58	369.42	6.20	-110.38
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219537	1	39	-2.0	-108.43	331.43	-0.31	-108.74
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219538	1	36	-2.0	-115.80	314.63	-1.11	-116.91
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCCC2CC21	REAL300013219539	1	46	-2.0	-121.01	363.36	5.55	-115.46
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCC2CC21	REAL300013219540	1	43	-2.0	-120.55	349.16	4.68	-115.87
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC2(CCC2)C1	REAL300013219541	1	46	-2.0	-120.75	369.27	5.28	-115.47
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC(C3CCOCC3)=CS1)CCCCC2	REAL300013219542	1	52	-2.0	-125.78	402.58	7.59	-118.19
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCCC1	REAL300013219543	1	45	-2.0	-116.24	361.73	4.58	-111.66
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219544	1	42	-2.0	-115.46	355.04	2.31	-113.15
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219545	1	42	-2.0	-118.83	339.71	4.19	-114.64
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219546	1	45	-2.0	-115.85	384.56	8.17	-107.68
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013219547	1	45	-2.0	-125.01	367.18	5.87	-119.14
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219548	1	42	-2.0	-116.42	349.45	6.59	-109.83
O=C([O-])C1N(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCC1(F)F	REAL300013219549	1	39	-2.0	-117.19	337.80	5.17	-112.02
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219550	1	45	-2.0	-112.22	390.12	6.20	-106.02
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219551	1	42	-2.0	-112.59	374.54	5.08	-107.51
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219552	1	42	-2.0	-109.78	355.31	5.70	-104.08
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219553	1	42	-2.0	-112.59	374.54	5.08	-107.51
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219554	1	46	-2.0	-125.41	364.41	6.44	-118.97
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=CC=C(O)C=C1	REAL300013219555	1	43	-2.0	-117.41	372.71	2.26	-115.15
COCCCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219556	1	45	-2.0	-113.64	380.45	2.96	-110.68
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219557	1	44	-2.0	-105.84	360.10	6.16	-99.68
CCOCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219558	1	42	-2.0	-115.96	359.10	2.32	-113.64
CC(C)(C)CC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219559	1	47	-2.0	-114.40	376.11	5.53	-108.87
O=C([O-])C(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CCCCO1	REAL300013219560	1	46	-2.0	-118.21	376.27	3.61	-114.60
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC2=CC=CC=C2C1	REAL300013219561	1	46	-2.0	-123.06	379.64	6.23	-116.83
C[C@H]1OCCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)[C@@H]1C(=O)[O-]	REAL300013219562	1	43	-2.0	-121.28	349.22	4.58	-116.70
N#CCCC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219563	1	39	-2.0	-107.08	346.37	3.57	-103.51
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219564	1	42	-2.0	-114.04	366.22	6.31	-107.73
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013219565	1	38	-2.0	-104.11	318.66	4.41	-99.70
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013219566	1	46	-2.0	-122.42	381.25	4.98	-117.44
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219567	1	43	-2.0	-114.57	372.00	6.88	-107.69
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219568	1	40	-2.0	-115.83	363.74	9.42	-106.41
CC1=CC=C(C(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300013219569	1	37	-2.0	-118.73	349.85	6.48	-112.25
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219570	1	30	-2.0	-105.51	308.19	4.43	-101.08
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCSCC1	REAL300013219571	1	35	-2.0	-111.81	319.70	5.45	-106.36
COCC(C)(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219572	1	34	-2.0	-115.62	314.86	3.22	-112.40
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219573	1	37	-2.0	-106.72	337.61	5.34	-101.38
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219574	1	36	-2.0	-112.77	328.44	6.82	-105.95
O=C([O-])CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CC1	REAL300013219575	1	31	-2.0	-109.83	297.78	6.11	-103.72
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219576	1	33	-2.0	-107.89	332.16	6.90	-100.99
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCOC1	REAL300013219577	1	32	-2.0	-112.64	298.15	2.08	-110.56
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCCCC1	REAL300013219578	1	40	-2.0	-115.18	345.57	5.94	-109.24
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=C(O)C=C1	REAL300013219579	1	35	-2.0	-115.73	339.69	2.88	-112.85
CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(COC1CCC1)C(=O)[O-]	REAL300013219580	1	41	-2.0	-107.85	364.14	6.66	-101.19
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219581	1	41	-2.0	-126.44	367.92	10.01	-116.43
C=CCOCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219582	1	35	-2.0	-114.71	339.10	3.45	-111.26
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219583	1	35	-2.0	-128.05	312.85	4.45	-123.60
C=CC(C)C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219584	1	34	-2.0	-110.10	322.49	4.82	-105.28
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCOCC1	REAL300013219585	1	38	-2.0	-114.50	336.41	3.52	-110.98
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=C(F)C(F)=C1	REAL300013219586	1	34	-2.0	-108.74	341.13	5.93	-102.81
COC1CCN(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(C(=O)[O-])C1	REAL300013219587	1	38	-2.0	-122.76	337.58	6.00	-116.76
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCCOC1	REAL300013219588	1	38	-2.0	-111.09	336.37	3.55	-107.54
CC1CCN(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(C(=O)[O-])C1	REAL300013219589	1	37	-2.0	-123.84	319.28	7.37	-116.47
CC1=CC(C(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])=CC=C1F	REAL300013219590	1	37	-2.0	-111.71	355.36	6.42	-105.29
CC1=CC(C(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])=CC(C)=C1	REAL300013219591	1	40	-2.0	-121.22	370.84	7.10	-114.12
CC1=CC=C(C(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])C=C1C	REAL300013219592	1	40	-2.0	-120.47	367.09	6.93	-113.54
CC(C)C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219593	1	33	-2.0	-111.84	304.59	3.98	-107.86
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219594	1	34	-2.0	-123.01	304.93	7.05	-115.96
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=C(Cl)C=C1	REAL300013219595	1	34	-2.0	-111.73	345.41	6.25	-105.48
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219596	1	32	-2.0	-115.72	305.16	7.03	-108.69
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCCCC1	REAL300013219597	1	37	-2.0	-118.21	322.00	5.78	-112.43
O=C([O-])C1CCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219598	1	31	-2.0	-119.00	293.08	5.64	-113.36
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCCC1	REAL300013219599	1	34	-2.0	-118.43	306.97	4.64	-113.79
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCCCCC1	REAL300013219600	1	40	-2.0	-117.80	327.66	6.43	-111.37
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219601	1	37	-2.0	-113.65	350.86	6.66	-106.99
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219602	1	37	-2.0	-115.64	351.54	8.77	-106.87
O=C([O-])[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=CC=C1	REAL300013219603	1	34	-2.0	-118.57	328.68	5.72	-112.85
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=CC=C1	REAL300013219604	1	34	-2.0	-119.05	328.01	5.77	-113.28
CCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219605	1	30	-2.0	-110.48	292.25	3.72	-106.76
CC(C)C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219606	1	33	-2.0	-111.84	304.59	3.98	-107.86
O=C([O-])C(CO)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219607	1	28	-2.0	-114.29	282.09	-0.51	-114.80
O=C([O-])C(CO)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219608	1	28	-2.0	-114.29	282.09	-0.51	-114.80
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219609	1	37	-2.0	-113.65	350.86	6.66	-106.99
CCC(C)C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219610	1	36	-2.0	-113.03	323.13	4.63	-108.40
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219611	1	34	-2.0	-123.01	304.93	7.05	-115.96
CCCC(C)(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219612	1	36	-2.0	-114.33	318.12	4.70	-109.63
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219613	1	33	-2.0	-109.45	302.83	6.10	-103.35
O=C([O-])CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CC1	REAL300013219614	1	31	-2.0	-109.83	297.78	6.11	-103.72
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219615	1	31	-2.0	-112.91	305.34	6.33	-106.58
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219616	1	36	-2.0	-112.77	328.44	6.82	-105.95
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219617	1	38	-2.0	-125.01	343.53	9.22	-115.79
CC(C)(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219618	1	30	-2.0	-95.96	283.23	3.03	-92.93
CC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)(C(=O)[O-])C1CC1	REAL300013219619	1	34	-2.0	-116.00	306.73	4.64	-111.36
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=CS1	REAL300013219620	1	31	-2.0	-115.70	320.05	4.88	-110.82
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCCCC1	REAL300013219621	1	37	-2.0	-118.21	322.00	5.78	-112.43
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219622	1	33	-2.0	-109.45	302.83	6.10	-103.35
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219623	1	33	-2.0	-112.84	314.02	6.52	-106.32
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219624	1	30	-2.0	-108.71	292.53	5.76	-102.95
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219625	1	28	-2.0	-115.12	281.61	-0.51	-115.63
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219626	1	36	-2.0	-113.73	323.74	4.62	-109.11
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCCC1	REAL300013219627	1	34	-2.0	-118.43	306.97	4.64	-113.79
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219628	1	37	-2.0	-105.08	351.89	8.55	-96.53
CCC(C)(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219629	1	33	-2.0	-112.63	296.62	3.94	-108.69
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC2=CC=CC=C2C1	REAL300013219630	1	38	-2.0	-120.61	346.62	6.82	-113.79
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC(F)=CC=C1F	REAL300013219631	1	34	-2.0	-117.95	338.72	5.90	-112.05
CC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013219632	1	37	-2.0	-120.46	336.74	6.44	-114.02
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219633	1	30	-2.0	-108.71	292.53	5.76	-102.95
CCCCCCC(C)(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219634	1	45	-2.0	-114.18	382.61	7.03	-107.15
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219635	1	32	-2.0	-119.62	304.37	2.23	-117.39
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC1	REAL300013219636	1	28	-2.0	-116.75	276.83	3.74	-113.01
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=C(Cl)C=C1	REAL300013219637	1	34	-2.0	-111.73	345.41	6.25	-105.48
O=C([O-])C1COCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219638	1	32	-2.0	-117.02	296.25	4.62	-112.40
CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013219639	1	40	-2.0	-117.83	333.42	7.53	-110.30
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CC1	REAL300013219640	1	31	-2.0	-112.79	296.73	4.13	-108.66
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219641	1	40	-2.0	-115.51	373.93	9.55	-105.96
CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013219642	1	37	-2.0	-113.72	337.69	7.63	-106.09
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219643	1	34	-2.0	-114.10	323.90	4.94	-109.16
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCC2=CC=CC=C21	REAL300013219644	1	38	-2.0	-125.21	343.34	6.70	-118.51
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219645	1	31	-2.0	-119.29	295.18	5.30	-113.99
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219646	1	34	-2.0	-123.06	305.04	7.06	-116.00
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219647	1	32	-2.0	-117.80	304.35	2.26	-115.54
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219648	1	30	-2.0	-102.72	285.13	4.90	-97.82
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219649	1	31	-2.0	-118.96	293.08	5.63	-113.33
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCC1	REAL300013219650	1	31	-2.0	-116.60	293.66	4.26	-112.34
C=CCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219651	1	31	-2.0	-110.48	305.52	4.17	-106.31
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219652	1	34	-2.0	-118.82	310.24	6.18	-112.64
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219653	1	37	-2.0	-122.08	320.10	7.66	-114.42
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CC1	REAL300013219654	1	31	-2.0	-112.79	296.73	4.13	-108.66
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219655	1	30	-2.0	-102.77	285.64	5.00	-97.77
CCCCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219656	1	36	-2.0	-111.14	335.24	5.26	-105.88
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=CC(O)=C1	REAL300013219657	1	35	-2.0	-117.63	339.69	2.87	-114.76
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219658	1	40	-2.0	-115.51	373.93	9.55	-105.96
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219659	1	34	-2.0	-118.81	310.18	6.17	-112.64
CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013219660	1	40	-2.0	-117.83	333.42	7.53	-110.30
O=C([O-])CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCCC1	REAL300013219661	1	37	-2.0	-112.67	329.86	7.40	-105.27
COCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219662	1	31	-2.0	-113.43	304.21	1.94	-111.49
CCCCCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219663	1	39	-2.0	-111.09	356.74	6.04	-105.05
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219664	1	36	-2.0	-113.41	321.67	4.77	-108.64
CCC1CCC(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)(C(=O)[O-])CC1	REAL300013219665	1	43	-2.0	-117.74	361.07	7.02	-110.72
O=C([O-])CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCOCC1	REAL300013219666	1	38	-2.0	-113.74	337.30	5.66	-108.08
CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1(C(=O)[O-])CCCC1	REAL300013219667	1	37	-2.0	-120.87	321.39	6.85	-114.02
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CC1	REAL300013219668	1	34	-2.0	-102.19	310.25	7.46	-94.73
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CC1	REAL300013219669	1	37	-2.0	-107.77	327.31	7.68	-100.09
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=CC=C1Cl	REAL300013219670	1	34	-2.0	-119.33	340.64	6.16	-113.17
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=CC=C1F	REAL300013219671	1	34	-2.0	-123.25	333.07	5.81	-117.44
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219672	1	38	-2.0	-117.71	345.63	8.49	-109.22
CC1=CC=CC(C(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])=C1C	REAL300013219673	1	40	-2.0	-119.89	361.44	6.86	-113.03
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219674	1	33	-2.0	-112.84	314.02	6.52	-106.32
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CC1	REAL300013219675	1	38	-2.0	-105.14	339.89	6.90	-98.24
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCC1	REAL300013219676	1	37	-2.0	-105.99	326.55	6.90	-99.09
CCCN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(COC)C(=O)[O-]	REAL300013219677	1	40	-2.0	-109.20	352.75	6.17	-103.03
CCCN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(CC)C(=O)[O-]	REAL300013219678	1	39	-2.0	-105.31	340.30	7.38	-97.93
CC(C)C[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219679	1	36	-2.0	-112.92	331.15	5.01	-107.91
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCOCC1	REAL300013219680	1	35	-2.0	-113.33	313.45	3.27	-110.06
C=CCCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219681	1	34	-2.0	-110.91	326.80	4.99	-105.92
O=C([O-])C(CF)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219682	1	27	-2.0	-97.33	274.27	2.65	-94.68
CCC(CC)(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219683	1	36	-2.0	-114.39	313.01	4.83	-109.56
COC1=CC=C(C(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300013219684	1	38	-2.0	-116.11	358.17	5.03	-111.08
CCC(COC)(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219685	1	37	-2.0	-118.18	331.54	4.13	-114.05
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219686	1	34	-2.0	-111.56	324.38	5.15	-106.41
COCCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219687	1	34	-2.0	-109.18	325.92	2.78	-106.40
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219688	1	30	-2.0	-105.75	304.84	3.95	-101.80
CCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013219689	1	40	-2.0	-120.95	353.46	7.31	-113.64
COC1CCCC(C(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])C1	REAL300013219690	1	44	-2.0	-117.49	378.01	4.94	-112.55
O=C([O-])C(CCF)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219691	1	30	-2.0	-106.10	299.08	3.80	-102.30
COC1(CC(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])CCC1	REAL300013219692	1	41	-2.0	-116.19	362.46	4.99	-111.20
O=C([O-])CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCOCC1	REAL300013219693	1	38	-2.0	-113.74	337.30	5.66	-108.08
O=C([O-])CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCCCC1	REAL300013219694	1	40	-2.0	-114.03	346.28	8.03	-106.00
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)(C(=O)[O-])CC1	REAL300013219695	1	40	-2.0	-118.86	335.82	6.15	-112.71
COC1=CC=CC(C(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300013219696	1	38	-2.0	-120.06	357.92	5.10	-114.96
CC(CCF)(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219697	1	33	-2.0	-107.85	303.21	4.08	-103.77
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)OC=C2	REAL300013219698	1	35	-2.0	-115.00	328.24	6.65	-108.35
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300013219699	1	38	-2.0	-120.76	358.13	5.02	-115.74
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219700	1	30	-2.0	-103.27	285.12	4.90	-98.37
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300013219701	1	40	-2.0	-118.54	359.86	7.61	-110.93
CC1(C)CCCC(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)(C(=O)[O-])C1	REAL300013219702	1	43	-2.0	-119.05	349.94	6.65	-112.40
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219703	1	32	-2.0	-122.08	299.43	6.19	-115.89
COC1CN(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(C)(C(=O)[O-])C1	REAL300013219704	1	38	-2.0	-118.47	343.41	5.15	-113.32
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219705	1	41	-2.0	-114.18	359.67	5.16	-109.02
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219706	1	36	-2.0	-113.41	321.67	4.77	-108.64
C=C(Cl)CC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219707	1	31	-2.0	-108.90	320.73	4.84	-104.06
C=C(C)CC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219708	1	34	-2.0	-110.57	325.64	4.97	-105.60
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219709	1	35	-2.0	-121.68	312.99	6.92	-114.76
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219710	1	32	-2.0	-117.67	305.14	1.98	-115.69
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219711	1	31	-2.0	-108.96	306.05	5.78	-103.18
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219712	1	31	-2.0	-114.02	299.56	5.73	-108.29
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300013219713	1	32	-2.0	-119.94	306.31	6.08	-113.86
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219714	1	41	-2.0	-112.67	363.94	4.47	-108.20
CC(C)C[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219715	1	36	-2.0	-112.92	331.15	5.01	-107.91
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCOCC1	REAL300013219716	1	38	-2.0	-114.50	336.41	3.52	-110.98
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=CC=C1	REAL300013219717	1	34	-2.0	-119.05	328.01	5.77	-113.28
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219718	1	34	-2.0	-111.56	324.38	5.15	-106.41
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219719	1	33	-2.0	-111.65	337.48	3.83	-107.82
CC(C)CCCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219720	1	42	-2.0	-111.46	374.31	6.56	-104.90
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219721	1	38	-2.0	-118.04	346.73	4.56	-113.48
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219722	1	31	-2.0	-116.24	300.64	0.55	-115.69
CSCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219723	1	31	-2.0	-111.08	315.94	4.07	-107.01
COC[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219724	1	31	-2.0	-114.08	304.35	1.89	-112.19
CC[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219725	1	30	-2.0	-111.29	292.50	3.65	-107.64
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219726	1	37	-2.0	-108.81	357.34	6.73	-102.08
CCC(C)CC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219727	1	39	-2.0	-112.31	349.18	5.67	-106.64
C=CCCCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219728	1	37	-2.0	-111.04	348.29	5.77	-105.27
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219729	1	37	-2.0	-109.42	356.45	6.76	-102.66
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219730	1	32	-2.0	-115.72	305.16	7.03	-108.69
CC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013219731	1	37	-2.0	-120.46	336.74	6.44	-114.02
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219732	1	31	-2.0	-119.29	295.18	5.30	-113.99
CCCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219733	1	33	-2.0	-110.99	313.98	4.42	-106.57
CC(C)[C@@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219734	1	33	-2.0	-111.34	307.62	4.26	-107.08
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219735	1	35	-2.0	-124.39	315.82	7.26	-117.13
CCN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(C)(C)C(=O)[O-]	REAL300013219736	1	36	-2.0	-115.47	318.26	6.63	-108.84
CCCN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(C)C(=O)[O-]	REAL300013219737	1	36	-2.0	-107.01	323.76	6.63	-100.38
CCC[C@@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219738	1	33	-2.0	-111.04	314.00	4.42	-106.62
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219739	1	35	-2.0	-124.99	317.19	6.68	-118.31
O=C([O-])[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=CC=C1	REAL300013219740	1	34	-2.0	-118.57	328.68	5.72	-112.85
CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(C)(C)C(=O)[O-]	REAL300013219741	1	33	-2.0	-114.30	299.78	5.77	-108.53
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219742	1	31	-2.0	-118.96	293.08	5.63	-113.33
CCC(C)CC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219745	1	39	-2.0	-112.31	349.18	5.67	-106.64
C#CCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219746	1	29	-2.0	-110.42	298.75	4.07	-106.35
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219747	1	40	-2.0	-111.52	355.73	8.61	-102.91
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219748	1	30	-2.0	-102.77	285.64	5.00	-97.77
CC(C)=CCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219749	1	37	-2.0	-112.45	344.89	5.62	-106.83
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219750	1	36	-2.0	-110.13	346.04	4.89	-105.24
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219751	1	40	-2.0	-107.21	357.27	6.00	-101.21
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219752	1	39	-2.0	-104.81	343.95	7.43	-97.38
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=CC=N1	REAL300013219753	1	33	-2.0	-122.47	325.04	4.15	-118.32
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219754	1	40	-2.0	-120.56	347.69	8.00	-112.56
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219755	1	40	-2.0	-111.47	356.29	8.73	-102.74
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219758	1	36	-2.0	-110.13	346.04	4.89	-105.24
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=CN=C1	REAL300013219759	1	33	-2.0	-115.23	323.31	4.01	-111.22
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219760	1	38	-2.0	-119.55	339.10	6.38	-113.17
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219761	0	38	-2.0	-122.49	347.03	9.62	-112.87
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)[C@H]1C(=O)[O-]	REAL300013219762	0	41	-2.0	-117.99	357.78	9.10	-108.89
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219763	1	39	-2.0	-110.88	368.77	5.68	-105.20
C=CCCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219764	1	34	-2.0	-110.91	326.80	4.99	-105.92
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219765	1	33	-2.0	-112.09	337.19	3.73	-108.36
CC#CCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219766	1	32	-2.0	-112.18	320.58	5.03	-107.15
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC1=O	REAL300013219767	1	35	-2.0	-112.99	321.59	4.96	-108.03
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219768	1	34	-2.0	-117.98	310.19	6.18	-111.80
CC(C)[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219769	1	33	-2.0	-112.09	307.61	4.26	-107.83
O=C([O-])[C@@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=CC=C1	REAL300013219770	1	34	-2.0	-119.30	328.63	5.73	-113.57
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219771	1	37	-2.0	-119.38	342.45	5.00	-114.38
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219772	1	30	-2.0	-103.27	285.12	4.90	-98.37
CCC[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219773	1	33	-2.0	-111.71	314.00	4.41	-107.30
CCN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(C)C(=O)[O-]	REAL300013219774	1	33	-2.0	-103.82	302.28	5.80	-98.02
O=C([O-])CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCCC1	REAL300013219775	1	37	-2.0	-112.67	329.86	7.40	-105.27
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219776	1	36	-2.0	-113.73	323.74	4.62	-109.11
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219777	1	33	-2.0	-104.79	305.00	6.10	-98.69
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC(CO)C1	REAL300013219778	1	35	-2.0	-122.28	324.17	1.43	-120.85
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219779	1	43	-2.0	-117.77	372.94	4.83	-112.94
CC1CCC(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)(C(=O)[O-])C1	REAL300013219780	1	37	-2.0	-117.99	327.53	5.27	-112.72
CC1(C)CCCC1(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219781	1	40	-2.0	-120.86	336.37	5.90	-114.96
COCCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219782	1	34	-2.0	-109.18	325.92	2.78	-106.40
CC1(C)CC(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)(C(=O)[O-])C1	REAL300013219783	1	37	-2.0	-118.29	330.07	5.94	-112.35
CC1(C(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])CC1	REAL300013219784	1	34	-2.0	-114.71	316.10	5.01	-109.70
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219785	1	43	-2.0	-117.36	376.54	4.87	-112.49
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219786	1	32	-2.0	-125.67	305.14	2.18	-123.49
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCOC1	REAL300013219787	1	35	-2.0	-109.84	325.21	2.80	-107.04
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219788	1	35	-2.0	-122.11	315.48	6.76	-115.35
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CNC2=CC=CC=C12	REAL300013219789	1	38	-2.0	-124.70	360.59	5.80	-118.90
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C2	REAL300013219790	1	33	-2.0	-117.67	306.95	4.39	-113.28
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300013219791	1	37	-2.0	-123.56	326.02	7.59	-115.97
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219792	1	40	-2.0	-115.48	358.29	6.73	-108.75
CN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1(C(=O)[O-])CC1	REAL300013219793	1	31	-2.0	-115.09	300.11	5.53	-109.56
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219794	1	41	-2.0	-114.47	365.33	6.80	-107.67
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCC1	REAL300013219795	1	34	-2.0	-113.09	317.37	4.70	-108.39
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCCCC1	REAL300013219796	1	40	-2.0	-115.18	345.57	5.94	-109.24
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCC1	REAL300013219797	1	34	-2.0	-113.09	317.37	4.70	-108.39
CC1CCN(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1C(=O)[O-]	REAL300013219798	1	34	-2.0	-121.06	315.79	5.88	-115.18
C=CCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219799	1	31	-2.0	-110.48	305.52	4.17	-106.31
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219800	1	41	-2.0	-115.26	364.49	5.46	-109.80
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219801	1	41	-2.0	-123.65	340.57	7.53	-116.12
CC1(C)CC(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)(C(=O)[O-])CCO1	REAL300013219802	1	41	-2.0	-114.23	342.53	4.57	-109.66
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C2C(=O)[O-]	REAL300013219803	1	41	-2.0	-129.80	359.43	9.56	-120.24
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219804	1	41	-2.0	-114.47	365.33	6.80	-107.67
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219805	1	37	-2.0	-110.31	357.34	6.74	-103.57
COC1CC(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)(C(=O)[O-])C1	REAL300013219806	1	35	-2.0	-114.25	325.20	3.13	-111.12
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC(F)(F)C1	REAL300013219807	1	31	-2.0	-111.39	302.22	4.28	-107.11
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)(C(=O)[O-])C1	REAL300013219808	1	35	-2.0	-119.72	325.59	3.52	-116.20
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1(C(F)(F)F)CC1	REAL300013219809	1	34	-2.0	-109.93	332.62	5.40	-104.53
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219810	1	37	-2.0	-120.68	323.46	7.38	-113.30
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219811	1	30	-2.0	-105.51	308.19	4.43	-101.08
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219812	1	38	-2.0	-111.85	346.07	3.73	-108.12
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)COC1	REAL300013219813	1	29	-2.0	-109.71	284.59	1.29	-108.42
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219814	1	34	-2.0	-111.37	343.12	5.67	-105.70
CC(C)C(C)(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219815	1	36	-2.0	-113.81	311.53	4.56	-109.25
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219816	1	32	-2.0	-122.60	300.41	6.78	-115.82
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219817	1	35	-2.0	-122.12	316.19	6.28	-115.84
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219818	1	40	-2.0	-111.47	356.29	8.73	-102.74
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219819	1	43	-2.0	-114.57	372.00	6.88	-107.69
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219820	1	40	-2.0	-113.71	373.07	7.46	-106.25
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219821	1	40	-2.0	-113.16	373.66	7.50	-105.66
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CC2CCC1C2	REAL300013219822	1	41	-2.0	-117.33	354.78	6.31	-111.02
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219823	1	43	-2.0	-114.07	372.84	6.86	-107.21
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219824	1	43	-2.0	-114.77	372.83	6.85	-107.92
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219825	1	41	-2.0	-123.27	355.40	7.68	-115.59
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219826	1	41	-2.0	-122.74	351.91	7.40	-115.34
C=CCSCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219827	1	35	-2.0	-111.82	350.46	5.46	-106.36
N#CC1=CC=C(CC(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300013219828	1	38	-2.0	-108.66	370.85	7.09	-101.57
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219829	1	36	-2.0	-104.44	318.80	6.65	-97.79
COC1(C(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C(=O)[O-])CCC1	REAL300013219830	1	38	-2.0	-112.92	339.44	3.29	-109.63
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCC2=CC=CC=C2C1	REAL300013219831	1	41	-2.0	-120.94	359.92	7.70	-113.24
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC(C(F)F)C1	REAL300013219832	1	34	-2.0	-117.33	325.44	5.08	-112.25
O=C([O-])C1CC(NC(=O)NC2=NC(CC(F)(F)F)=CS2)(C(=O)[O-])C1	REAL300013219833	0	34	-2.0	-116.50	325.75	6.04	-110.46
O=C([O-])C1CC(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)(C(=O)[O-])C1	REAL300013219833	1	33	-3.0	-193.20	322.84	4.82	-188.38
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219834	1	31	-2.0	-114.02	299.56	5.73	-108.29
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219835	1	33	-2.0	-121.70	308.94	6.49	-115.21
CC1(C)CCN(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1C(=O)[O-]	REAL300013219836	1	37	-2.0	-121.37	327.05	6.42	-114.95
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219837	1	41	-2.0	-125.31	349.34	8.61	-116.70
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCC2=CC=CC=C21	REAL300013219838	1	41	-2.0	-115.96	370.65	7.59	-108.37
CC(C)CCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219839	1	39	-2.0	-111.54	352.81	5.78	-105.76
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219840	1	38	-2.0	-126.17	342.75	7.20	-118.97
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219841	1	38	-2.0	-111.85	346.07	3.73	-108.12
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300013219842	1	35	-2.0	-115.55	337.35	6.63	-108.92
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219843	1	31	-2.0	-107.75	298.41	0.28	-107.47
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219844	1	28	-2.0	-115.12	281.61	-0.51	-115.63
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCCC2CC21	REAL300013219845	1	38	-2.0	-119.59	330.32	6.14	-113.45
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCC2CC21	REAL300013219846	1	35	-2.0	-118.10	316.13	5.27	-112.83
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC2(CCC2)C1	REAL300013219847	1	38	-2.0	-118.26	336.23	5.87	-112.39
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)CCCCC2	REAL300013219848	1	44	-2.0	-123.79	369.55	8.18	-115.61
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCCC1	REAL300013219849	1	37	-2.0	-114.26	328.66	5.24	-109.02
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219850	1	34	-2.0	-114.70	322.50	2.88	-111.82
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219851	1	34	-2.0	-116.81	306.65	4.77	-112.04
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219852	1	37	-2.0	-115.64	351.54	8.77	-106.87
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300013219853	1	37	-2.0	-123.19	334.15	6.47	-116.72
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219854	1	34	-2.0	-114.12	316.49	7.11	-107.01
O=C([O-])C1N(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCC1(F)F	REAL300013219855	1	31	-2.0	-115.99	304.76	5.76	-110.23
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219856	1	37	-2.0	-110.31	357.34	6.74	-103.57
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219857	1	34	-2.0	-110.86	341.75	5.61	-105.25
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219858	1	34	-2.0	-108.69	322.28	6.30	-102.39
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC2(CC(F)(F)C2)C1	REAL300013219859	1	38	-2.0	-116.67	355.44	6.31	-110.36
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219860	1	34	-2.0	-110.86	341.75	5.61	-105.25
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219861	1	38	-2.0	-123.04	331.39	7.03	-116.01
O=C([O-])[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=CC=C(O)C=C1	REAL300013219862	1	35	-2.0	-115.64	339.41	2.95	-112.69
COCCCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219863	1	37	-2.0	-111.90	347.41	3.55	-108.35
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219864	1	36	-2.0	-104.47	327.58	6.86	-97.61
CCOCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219865	1	34	-2.0	-114.26	326.06	2.92	-111.34
CC(C)(C)CC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219866	1	39	-2.0	-112.44	343.06	6.12	-106.32
O=C([O-])C(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1CCCCO1	REAL300013219867	1	38	-2.0	-117.40	343.25	4.20	-113.20
O=C([O-])C1(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC2=CC=CC=C2C1	REAL300013219868	1	38	-2.0	-120.61	346.62	6.82	-113.79
C[C@H]1OCCN(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)[C@@H]1C(=O)[O-]	REAL300013219869	1	35	-2.0	-119.09	316.18	5.18	-113.91
N#CCCC(NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219870	1	31	-2.0	-105.48	313.34	4.16	-101.32
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219871	1	34	-2.0	-112.55	333.20	6.91	-105.64
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013219872	1	30	-2.0	-102.72	285.13	4.90	-97.82
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300013219873	1	38	-2.0	-120.91	348.22	5.58	-115.33
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013219874	1	56	-2.0	-120.46	435.60	9.47	-110.99
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300013219875	1	50	-2.0	-125.53	413.70	8.99	-116.54
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013219876	1	43	-2.0	-111.62	372.04	6.94	-104.68
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300013219877	1	48	-2.0	-117.90	383.32	8.05	-109.85
COCC(C)(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219878	1	47	-2.0	-122.25	378.49	5.82	-116.43
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013219879	1	50	-2.0	-112.01	400.79	7.98	-104.03
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300013219880	1	49	-2.0	-119.74	392.31	9.64	-110.10
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])C2CC2)S1	REAL300013219881	1	44	-2.0	-116.15	361.40	8.69	-107.46
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300013219882	1	46	-2.0	-113.11	395.78	9.50	-103.61
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300013219883	1	45	-2.0	-118.60	361.75	4.66	-113.94
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013219884	1	53	-2.0	-122.14	409.85	8.46	-113.68
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013219885	1	48	-2.0	-122.20	403.30	5.46	-116.74
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])S1	REAL300013219886	1	54	-2.0	-113.72	427.76	9.25	-104.47
C=CCOCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219887	1	48	-2.0	-120.71	402.72	6.03	-114.68
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCCC(O)C2C(=O)[O-])S1	REAL300013219888	1	48	-2.0	-134.48	379.46	6.33	-128.15
C=CC(C)C(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219889	1	47	-2.0	-118.35	380.62	7.10	-111.25
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013219890	1	51	-2.0	-121.31	400.60	6.04	-115.27
COC1CCN(C(=O)[N-]C2=NC(C3CCCCC3)=C(C)S2)C(C(=O)[O-])C1	REAL300013219891	1	51	-2.0	-131.42	399.28	8.79	-122.63
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)S1	REAL300013219892	1	51	-2.0	-117.56	400.00	6.14	-111.42
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC(C)CC2C(=O)[O-])S1	REAL300013219893	1	50	-2.0	-131.03	382.79	10.02	-121.01
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S1	REAL300013219894	1	46	-2.0	-118.40	373.15	6.82	-111.58
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCCCC2C(=O)[O-])S1	REAL300013219895	1	47	-2.0	-129.98	368.54	9.64	-120.34
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013219896	1	45	-2.0	-122.10	368.79	9.63	-112.47
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013219897	1	50	-2.0	-124.37	385.61	8.37	-116.00
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCCC2C(=O)[O-])S1	REAL300013219898	1	44	-2.0	-125.02	356.72	8.21	-116.81
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300013219899	1	47	-2.0	-123.71	371.11	7.27	-116.44
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300013219900	1	53	-2.0	-124.97	391.28	9.03	-115.94
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013219901	1	50	-2.0	-119.23	414.49	9.26	-109.97
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013219902	1	50	-2.0	-121.49	415.14	11.37	-110.12
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013219903	1	47	-2.0	-125.18	392.04	8.40	-116.78
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013219904	1	47	-2.0	-125.23	392.25	8.33	-116.90
CCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219905	1	43	-2.0	-116.80	356.11	6.25	-110.55
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S1	REAL300013219906	1	46	-2.0	-118.40	373.15	6.82	-111.58
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)CC(=O)[O-])S1	REAL300013219907	1	40	-2.0	-113.87	334.34	7.38	-106.49
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CO)C(=O)[O-])S1	REAL300013219908	1	41	-2.0	-120.61	345.71	2.09	-118.52
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CO)C(=O)[O-])S1	REAL300013219909	1	41	-2.0	-120.61	345.71	2.09	-118.52
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013219910	1	50	-2.0	-119.23	414.49	9.26	-109.97
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C)C(=O)[O-])S1	REAL300013219911	1	40	-2.0	-103.36	334.28	5.24	-98.12
CCC(C)C(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219912	1	49	-2.0	-118.24	388.31	7.42	-110.82
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)CC(=O)[O-])S1	REAL300013219913	1	40	-2.0	-113.87	334.34	7.38	-106.49
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCCCC2C(=O)[O-])S1	REAL300013219914	1	47	-2.0	-129.98	368.54	9.64	-120.34
CCCC(C)(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219915	1	49	-2.0	-120.34	381.74	7.29	-113.05
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S1	REAL300013219916	1	46	-2.0	-115.71	366.39	8.70	-107.01
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])C2CC2)S1	REAL300013219917	1	44	-2.0	-116.15	361.40	8.69	-107.46
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013219918	1	44	-2.0	-118.65	368.96	8.92	-109.73
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300013219919	1	49	-2.0	-119.74	392.31	9.64	-110.10
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300013219920	1	51	-2.0	-131.89	406.73	11.73	-120.16
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C)(C)C(=O)[O-])S1	REAL300013219921	1	43	-2.0	-100.96	346.85	5.63	-95.33
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300013219922	1	47	-2.0	-122.20	372.97	7.36	-114.84
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)S1	REAL300013219923	1	44	-2.0	-122.06	383.90	7.41	-114.65
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013219924	1	50	-2.0	-124.37	385.61	8.37	-116.00
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S1	REAL300013219925	1	46	-2.0	-115.71	366.39	8.70	-107.01
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013219926	1	46	-2.0	-118.57	377.65	9.12	-109.45
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013219927	1	43	-2.0	-114.96	356.15	8.36	-106.60
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S1	REAL300013219928	1	41	-2.0	-120.61	345.71	2.08	-118.53
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219929	1	49	-2.0	-118.98	385.69	7.21	-111.77
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C)C(=O)[O-])S1	REAL300013219930	1	40	-2.0	-103.36	334.28	5.24	-98.12
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300013219931	1	47	-2.0	-123.71	371.11	7.27	-116.44
CCC(C)(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219932	1	46	-2.0	-119.42	360.25	6.54	-112.88
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013219933	1	51	-2.0	-127.93	411.81	9.52	-118.41
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013219934	1	50	-2.0	-126.78	400.36	9.03	-117.75
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@H](C)C(=O)[O-])S1	REAL300013219935	1	40	-2.0	-103.29	334.11	5.24	-98.05
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013219936	1	43	-2.0	-114.96	356.15	8.36	-106.60
CCCCCCC(C)(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219937	1	58	-2.0	-121.02	446.24	9.62	-111.40
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])S1	REAL300013219938	1	45	-2.0	-126.23	369.34	4.88	-121.35
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@H](C)C(=O)[O-])S1	REAL300013219939	1	40	-2.0	-103.33	334.28	5.23	-98.10
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CC2)S1	REAL300013219940	1	41	-2.0	-122.72	341.81	6.39	-116.33
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCOCC2C(=O)[O-])S1	REAL300013219941	1	45	-2.0	-123.69	359.86	7.20	-116.49
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013219942	1	53	-2.0	-123.86	397.03	10.12	-113.74
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CC2)S1	REAL300013219943	1	44	-2.0	-119.13	365.84	6.79	-112.34
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013219944	1	50	-2.0	-118.74	401.82	10.31	-108.43
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013219945	1	47	-2.0	-119.84	387.53	7.53	-112.31
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)S1	REAL300013219946	1	51	-2.0	-132.23	406.98	9.33	-122.90
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300013219947	1	44	-2.0	-125.35	358.85	8.03	-117.32
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300013219948	1	47	-2.0	-130.07	368.64	9.66	-120.41
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300013219949	1	45	-2.0	-123.86	369.34	4.89	-118.97
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S1	REAL300013219950	1	43	-2.0	-108.41	348.74	7.50	-100.91
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300013219951	1	44	-2.0	-125.46	358.92	8.03	-117.43
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCC2)S1	REAL300013219952	1	44	-2.0	-123.46	357.23	6.86	-116.60
C=CCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219953	1	44	-2.0	-116.45	368.59	6.72	-109.73
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300013219954	1	47	-2.0	-124.78	373.78	8.78	-116.00
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCCCCC2C(=O)[O-])S1	REAL300013219955	1	50	-2.0	-129.44	383.57	10.41	-119.03
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CC2)S1	REAL300013219956	1	44	-2.0	-119.13	365.84	6.79	-112.34
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)C(C)C(=O)[O-])S1	REAL300013219957	1	43	-2.0	-109.02	348.17	7.55	-101.47
CCCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219958	1	49	-2.0	-117.56	399.11	7.79	-109.77
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300013219959	1	48	-2.0	-124.89	403.26	5.46	-119.43
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300013219960	1	47	-2.0	-124.71	375.23	8.83	-115.88
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013219961	1	53	-2.0	-123.86	397.03	10.12	-113.74
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013219962	1	50	-2.0	-119.76	392.49	9.92	-109.84
COCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219963	1	44	-2.0	-119.64	367.48	4.49	-115.15
CCCCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219964	1	52	-2.0	-117.47	419.77	8.60	-108.87
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300013219965	1	49	-2.0	-119.73	386.90	7.35	-112.38
CCC1CCC(NC(=O)[N-]C2=NC(C3CCCCC3)=C(C)S2)(C(=O)[O-])CC1	REAL300013219966	1	56	-2.0	-124.78	424.69	9.62	-115.16
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013219967	1	51	-2.0	-119.53	400.92	8.25	-111.28
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)S1	REAL300013219968	1	50	-2.0	-125.63	383.67	9.16	-116.47
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300013219969	1	47	-2.0	-107.76	373.88	10.04	-97.72
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C1CC1	REAL300013219970	1	50	-2.0	-113.00	390.95	10.25	-102.75
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)S1	REAL300013219971	1	47	-2.0	-129.30	396.67	8.42	-120.88
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013219972	1	51	-2.0	-124.36	409.17	11.13	-113.23
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013219973	1	46	-2.0	-118.57	377.65	9.12	-109.45
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C1CC1	REAL300013219974	1	51	-2.0	-110.40	404.64	9.62	-100.78
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)S1	REAL300013219975	1	50	-2.0	-111.21	390.15	9.50	-101.71
CCCN(C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(COC)C(=O)[O-]	REAL300013219976	1	53	-2.0	-122.39	420.49	9.90	-112.49
CCCN(C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(CC)C(=O)[O-]	REAL300013219977	1	52	-2.0	-120.87	406.42	10.60	-110.27
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300013219978	1	49	-2.0	-118.66	394.81	7.54	-111.12
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300013219979	1	48	-2.0	-120.04	377.04	5.88	-114.16
C=CCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219980	1	47	-2.0	-117.23	389.58	7.60	-109.63
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CF)C(=O)[O-])S1	REAL300013219981	1	40	-2.0	-102.62	337.73	5.27	-97.35
CCC(CC)(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219982	1	49	-2.0	-121.32	376.63	7.42	-113.90
CCC(COC)(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219983	1	50	-2.0	-124.18	395.16	6.71	-117.47
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300013219984	1	47	-2.0	-118.30	387.72	7.80	-110.50
COCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013219985	1	47	-2.0	-115.31	389.78	5.31	-110.00
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S1	REAL300013219986	1	43	-2.0	-111.63	368.46	6.53	-105.10
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CCF)C(=O)[O-])S1	REAL300013219987	1	43	-2.0	-112.04	361.87	6.41	-105.63
COC1(CC(NC(=O)[N-]C2=NC(C3CCCCC3)=C(C)S2)C(=O)[O-])CCC1	REAL300013219988	1	54	-2.0	-121.83	426.50	7.61	-114.22
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013219989	1	51	-2.0	-119.53	400.92	8.25	-111.28
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)S1	REAL300013219990	1	53	-2.0	-121.03	409.87	10.63	-110.40
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)S1	REAL300013219991	1	53	-2.0	-125.07	400.82	8.81	-116.26
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S1	REAL300013219992	1	46	-2.0	-114.37	366.83	6.67	-107.70
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])S1	REAL300013219993	1	48	-2.0	-120.38	391.86	9.26	-111.12
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S1	REAL300013219994	1	43	-2.0	-109.02	348.17	7.54	-101.48
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)S1	REAL300013219995	1	56	-2.0	-126.37	413.53	9.23	-117.14
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300013219996	1	45	-2.0	-128.60	363.03	8.76	-119.84
COC1CN(C(=O)[N-]C2=NC(C3CCCCC3)=C(C)S2)C(C)(C(=O)[O-])C1	REAL300013219997	1	51	-2.0	-124.35	407.02	7.74	-116.61
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])S1	REAL300013219998	1	54	-2.0	-120.08	423.27	7.76	-112.32
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300013219999	1	49	-2.0	-119.73	386.90	7.35	-112.38
C=C(Cl)CC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220000	1	44	-2.0	-114.41	385.38	7.30	-107.11
C=C(C)CC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220001	1	47	-2.0	-116.98	389.96	7.44	-109.54
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)S1	REAL300013220002	1	48	-2.0	-128.37	376.60	9.51	-118.86
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])S1	REAL300013220003	1	45	-2.0	-123.90	368.72	4.58	-119.32
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300013220004	1	44	-2.0	-114.66	369.66	8.38	-106.28
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013220005	1	44	-2.0	-119.62	363.17	8.31	-111.31
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCC3)=C(C)S2)C1	REAL300013220006	1	45	-2.0	-126.04	369.95	8.66	-117.38
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300013220007	1	54	-2.0	-117.15	423.36	7.74	-109.41
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300013220008	1	49	-2.0	-118.66	394.81	7.54	-111.12
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013220009	1	51	-2.0	-121.31	400.60	6.04	-115.27
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013220010	1	47	-2.0	-125.23	392.25	8.33	-116.90
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300013220011	1	47	-2.0	-118.30	387.72	7.80	-110.50
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])S1	REAL300013220012	1	46	-2.0	-117.23	401.09	6.42	-110.81
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])S1	REAL300013220013	1	55	-2.0	-118.04	438.17	9.09	-108.95
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])S1	REAL300013220014	1	51	-2.0	-124.42	412.05	6.69	-117.73
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)S1	REAL300013220015	1	44	-2.0	-116.29	362.87	3.35	-112.94
CSCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220016	1	44	-2.0	-117.29	378.91	6.70	-110.59
COC[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220017	1	44	-2.0	-119.65	367.48	4.49	-115.16
CC[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220018	1	43	-2.0	-116.85	356.11	6.25	-110.60
CCC(C)CC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220019	1	52	-2.0	-119.70	413.03	8.25	-111.45
C=CCCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220020	1	50	-2.0	-117.42	411.92	8.35	-109.07
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013220021	1	45	-2.0	-122.10	368.79	9.63	-112.47
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013220022	1	50	-2.0	-126.78	400.36	9.03	-117.75
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300013220023	1	44	-2.0	-125.35	358.85	8.03	-117.32
CCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220024	1	46	-2.0	-117.13	376.77	7.03	-110.10
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300013220025	1	46	-2.0	-118.38	373.14	6.82	-111.56
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])S1	REAL300013220026	1	48	-2.0	-130.96	378.84	9.89	-121.07
CCN(C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(C)(C)C(=O)[O-]	REAL300013220027	1	49	-2.0	-122.31	381.88	9.22	-113.09
CCCN(C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(C)C(=O)[O-]	REAL300013220028	1	49	-2.0	-113.65	389.22	9.31	-104.34
CCC[C@@H](NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220029	1	46	-2.0	-117.32	377.60	7.02	-110.30
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])S1	REAL300013220030	1	48	-2.0	-133.39	380.16	9.32	-124.07
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013220031	1	47	-2.0	-125.18	392.04	8.40	-116.78
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)C(C)(C)C(=O)[O-])S1	REAL300013220032	1	46	-2.0	-121.10	363.39	8.37	-112.73
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300013220033	1	44	-2.0	-125.46	358.92	8.03	-117.43
CCC(C)CC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220036	1	52	-2.0	-119.70	413.03	8.25	-111.45
C#CCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220037	1	42	-2.0	-116.66	362.37	6.66	-110.00
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)C(C)C(=O)[O-])S1	REAL300013220038	1	43	-2.0	-109.02	348.17	7.55	-101.47
CC(C)=CCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220039	1	50	-2.0	-118.35	407.68	8.16	-110.19
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013220040	1	49	-2.0	-116.28	409.65	7.50	-108.78
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])S1	REAL300013220041	1	53	-2.0	-112.79	420.56	8.63	-104.16
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])S1	REAL300013220042	1	52	-2.0	-111.25	406.50	9.88	-101.37
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)S1	REAL300013220043	1	46	-2.0	-128.22	388.41	6.80	-121.42
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013220044	1	53	-2.0	-127.58	411.25	10.68	-116.90
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013220047	1	49	-2.0	-116.28	409.65	7.50	-108.78
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)S1	REAL300013220048	1	46	-2.0	-121.78	387.17	6.54	-115.24
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013220049	1	51	-2.0	-126.47	403.12	9.00	-117.47
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C3=C(CC2C(=O)[O-])C(C)=CC=C3)S1	REAL300013220050	0	51	-2.0	-128.61	410.66	12.20	-116.41
C=CCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220051	1	47	-2.0	-117.23	389.58	7.60	-109.63
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300013220052	1	46	-2.0	-118.41	401.05	6.26	-112.15
CC#CCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220053	1	45	-2.0	-118.53	384.20	7.61	-110.92
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])S1	REAL300013220054	1	48	-2.0	-119.46	385.32	7.64	-111.82
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300013220055	1	47	-2.0	-124.82	373.79	8.77	-116.05
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300013220056	1	46	-2.0	-117.21	370.29	6.79	-110.42
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013220057	1	47	-2.0	-124.97	391.64	8.35	-116.62
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])S1	REAL300013220058	1	50	-2.0	-122.46	401.71	7.57	-114.89
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S1	REAL300013220059	1	43	-2.0	-109.02	348.17	7.54	-101.48
CCC[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220060	1	46	-2.0	-117.10	376.77	7.04	-110.06
CCN(C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(C)C(=O)[O-]	REAL300013220061	1	46	-2.0	-110.90	367.63	8.44	-102.46
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013220062	1	50	-2.0	-119.76	392.49	9.92	-109.84
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220063	1	49	-2.0	-118.98	385.69	7.21	-111.77
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013220064	1	46	-2.0	-109.95	368.60	8.69	-101.26
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)S1	REAL300013220065	1	48	-2.0	-128.39	387.79	4.04	-124.35
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)S1	REAL300013220066	1	56	-2.0	-123.58	436.54	7.43	-116.15
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)S1	REAL300013220067	1	50	-2.0	-124.31	391.29	7.90	-116.41
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)S1	REAL300013220068	1	53	-2.0	-127.44	400.07	8.51	-118.93
COCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220069	1	47	-2.0	-115.31	389.78	5.31	-110.00
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300013220070	1	50	-2.0	-125.25	393.67	8.54	-116.71
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300013220071	1	47	-2.0	-120.80	377.56	7.59	-113.21
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)S1	REAL300013220072	1	56	-2.0	-124.00	440.15	7.46	-116.54
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])S1	REAL300013220073	1	45	-2.0	-132.49	368.75	4.77	-127.72
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CCOC2)S1	REAL300013220074	1	48	-2.0	-115.95	383.34	5.19	-110.76
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])S1	REAL300013220075	1	48	-2.0	-128.42	378.81	9.35	-119.07
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)S1	REAL300013220076	1	46	-2.0	-124.05	370.56	7.00	-117.05
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC(C)CCC2C(=O)[O-])S1	REAL300013220077	1	50	-2.0	-131.02	384.98	10.45	-120.57
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300013220078	1	44	-2.0	-120.66	363.73	8.12	-112.54
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013220079	1	54	-2.0	-120.31	428.79	9.39	-110.92
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300013220080	1	47	-2.0	-120.06	376.21	7.23	-112.83
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013220081	1	53	-2.0	-122.14	409.85	8.46	-113.68
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300013220082	1	47	-2.0	-120.06	376.21	7.23	-112.83
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC(C)C2C(=O)[O-])S1	REAL300013220083	1	47	-2.0	-127.49	374.31	8.37	-119.12
C=CCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220084	1	44	-2.0	-116.45	368.59	6.72	-109.73
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300013220085	1	54	-2.0	-121.99	428.34	7.98	-114.01
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)S1	REAL300013220086	1	54	-2.0	-132.21	404.31	10.15	-122.06
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)S1	REAL300013220087	1	54	-2.0	-121.11	406.14	7.17	-113.94
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013220088	1	54	-2.0	-120.31	428.79	9.39	-110.92
COC1CC(NC(=O)[N-]C2=NC(C3CCCCC3)=C(C)S2)(C(=O)[O-])C1	REAL300013220089	1	48	-2.0	-120.35	388.81	5.72	-114.63
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)S1	REAL300013220090	1	44	-2.0	-116.97	365.64	6.88	-110.09
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C3CCCCC3)=C(C)S2)(C(=O)[O-])C1	REAL300013220091	1	48	-2.0	-120.27	388.84	5.72	-114.55
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013220092	1	50	-2.0	-126.87	387.19	10.01	-116.86
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013220093	1	43	-2.0	-111.62	372.04	6.94	-104.68
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013220094	1	51	-2.0	-118.14	409.91	6.25	-111.89
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])COC2)S1	REAL300013220095	1	42	-2.0	-115.36	348.04	3.88	-111.48
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])S1	REAL300013220096	1	47	-2.0	-117.49	406.16	8.37	-109.12
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)S1	REAL300013220097	1	49	-2.0	-120.68	375.17	7.16	-113.52
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013220098	1	45	-2.0	-129.42	364.02	9.38	-120.04
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013220099	1	48	-2.0	-129.14	379.85	9.02	-120.12
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013220100	1	56	-2.0	-120.46	435.60	9.47	-110.99
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300013220101	1	54	-2.0	-123.28	418.83	9.07	-114.21
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013220102	1	56	-2.0	-120.70	436.48	9.45	-111.25
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013220103	1	56	-2.0	-120.62	436.44	9.44	-111.18
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])S1	REAL300013220104	1	54	-2.0	-131.94	419.74	10.25	-121.69
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])S1	REAL300013220105	1	54	-2.0	-129.40	414.43	10.06	-119.34
C=CCSCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220106	1	48	-2.0	-117.88	413.18	8.16	-109.72
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013220107	1	49	-2.0	-120.10	385.24	9.86	-110.24
COC1(C(NC(=O)[N-]C2=NC(C3CCCCC3)=C(C)S2)C(=O)[O-])CCC1	REAL300013220108	1	51	-2.0	-118.67	403.05	5.88	-112.79
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)S1	REAL300013220109	1	47	-2.0	-125.14	389.24	7.70	-117.44
CC1=C(C2CCCCC2)N=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013220110	0	47	-2.0	-117.52	389.36	8.65	-108.87
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013220110	1	46	-3.0	-201.69	386.11	7.45	-194.24
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013220111	1	44	-2.0	-119.62	363.17	8.31	-111.31
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])S1	REAL300013220112	1	46	-2.0	-130.95	374.58	9.15	-121.80
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])S1	REAL300013220113	1	50	-2.0	-127.58	389.03	9.18	-118.40
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])S1	REAL300013220114	1	54	-2.0	-133.38	414.34	11.30	-122.08
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CCC(C)C)C(=O)[O-])S1	REAL300013220115	1	52	-2.0	-117.95	416.67	8.31	-109.64
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])S1	REAL300013220116	1	51	-2.0	-132.92	406.33	9.80	-123.12
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013220117	1	51	-2.0	-118.14	409.91	6.25	-111.89
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCC3)=C(C)S2)C1	REAL300013220118	1	48	-2.0	-121.47	402.35	9.28	-112.19
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)S1	REAL300013220119	1	44	-2.0	-113.27	362.02	2.89	-110.38
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S1	REAL300013220120	1	41	-2.0	-120.61	345.71	2.08	-118.53
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)S1	REAL300013220121	1	51	-2.0	-127.16	391.47	9.01	-118.15
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)S1	REAL300013220122	1	48	-2.0	-125.86	378.60	8.11	-117.75
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300013220123	1	51	-2.0	-125.28	399.86	8.48	-116.80
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCC2)S1	REAL300013220124	1	50	-2.0	-120.93	392.31	7.77	-113.16
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220125	1	47	-2.0	-120.29	385.62	5.50	-114.79
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)S1	REAL300013220126	1	47	-2.0	-124.49	376.64	7.73	-116.76
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013220127	1	50	-2.0	-121.49	415.14	11.37	-110.12
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])S1	REAL300013220128	1	50	-2.0	-130.79	396.93	9.10	-121.69
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])S1	REAL300013220129	1	47	-2.0	-120.68	380.11	9.70	-110.98
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])S1	REAL300013220130	1	44	-2.0	-121.58	368.38	8.36	-113.22
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013220131	1	47	-2.0	-116.76	404.53	8.20	-108.56
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])S1	REAL300013220132	1	47	-2.0	-114.35	385.89	8.89	-105.46
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013220133	1	47	-2.0	-116.76	404.53	8.20	-108.56
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013220134	1	51	-2.0	-130.13	395.00	9.62	-120.51
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013220135	1	48	-2.0	-122.28	403.30	5.46	-116.82
COCCCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220136	1	50	-2.0	-118.33	411.28	6.08	-112.25
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300013220137	1	49	-2.0	-110.84	390.15	9.31	-101.53
CCOCC(NC(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1)C(=O)[O-]	REAL300013220138	1	47	-2.0	-120.58	389.33	5.46	-115.12
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S1	REAL300013220139	1	52	-2.0	-119.01	406.95	8.64	-110.37
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)S1	REAL300013220140	1	51	-2.0	-122.96	407.35	6.81	-116.15
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013220141	1	51	-2.0	-127.93	411.81	9.52	-118.41
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])S1	REAL300013220142	1	48	-2.0	-125.80	381.47	7.94	-117.86
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(CCC#N)C(=O)[O-])S1	REAL300013220143	1	44	-2.0	-111.22	376.14	6.77	-104.45
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)S1	REAL300013220144	1	47	-2.0	-121.14	396.81	9.51	-111.63
CC1=C(C2CCCCC2)N=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S1	REAL300013220145	1	43	-2.0	-108.41	348.74	7.50	-100.91
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CCCCC3)=C(C)S2)C1	REAL300013220146	1	51	-2.0	-127.21	413.23	8.23	-118.98
C=CCN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013220147	1	50	-2.0	-106.50	411.05	10.86	-95.64
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300013220148	1	43	-2.0	-117.24	385.85	7.55	-109.69
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300013220149	1	49	-2.0	-120.78	414.50	9.37	-111.41
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013220150	1	49	-2.0	-116.89	392.20	7.51	-109.38
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220151	1	46	-2.0	-117.51	383.94	10.07	-107.44
CC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])C=C1	REAL300013220152	1	43	-2.0	-121.78	370.24	7.04	-114.74
CC(C)(C)C1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013220153	1	36	-2.0	-108.13	328.41	5.06	-103.07
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300013220154	1	46	-2.0	-124.48	394.84	8.64	-115.84
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300013220155	1	41	-2.0	-114.60	339.91	6.09	-108.51
COCC(C)(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220156	1	40	-2.0	-118.92	335.08	3.86	-115.06
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220157	1	43	-2.0	-108.80	357.20	5.89	-102.91
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220158	1	42	-2.0	-114.38	348.66	7.46	-106.92
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220159	1	49	-2.0	-117.63	398.85	10.09	-107.54
CC(C)(C)C1=CSC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300013220160	1	39	-2.0	-109.21	352.38	7.54	-101.67
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013220161	1	38	-2.0	-115.13	318.35	2.72	-112.41
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013220162	1	46	-2.0	-118.15	365.77	6.57	-111.58
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013220163	1	41	-2.0	-118.49	359.89	3.51	-114.98
CN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(COC1CCC1)C(=O)[O-]	REAL300013220164	1	47	-2.0	-110.46	384.97	7.38	-103.08
CC(C)(C)C1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=N1	REAL300013220165	1	47	-2.0	-130.05	388.08	10.64	-119.41
C=CCOCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220166	1	41	-2.0	-117.78	359.18	4.13	-113.65
CC(C)(C)C1=CSC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013220167	1	41	-2.0	-130.96	336.10	4.30	-126.66
C=CC(C)C(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220168	1	40	-2.0	-112.90	342.70	5.45	-107.45
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013220169	1	44	-2.0	-117.68	357.19	4.09	-113.59
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300013220170	1	40	-2.0	-111.48	361.54	6.49	-104.99
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300013220171	1	40	-2.0	-112.10	371.43	6.94	-105.16
COC1CCN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(C(=O)[O-])C1	REAL300013220172	1	44	-2.0	-125.84	357.78	6.64	-119.20
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300013220173	1	44	-2.0	-114.22	357.17	4.11	-110.11
CC1CCN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(C(=O)[O-])C1	REAL300013220174	1	43	-2.0	-127.03	346.23	8.25	-118.78
CC1=CC(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])=CC=C1F	REAL300013220175	1	43	-2.0	-114.54	375.33	7.14	-107.40
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300013220176	1	45	-2.0	-119.96	384.77	6.20	-113.76
CC1=CC(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])=CC(C)=C1	REAL300013220177	1	46	-2.0	-123.51	391.05	7.73	-115.78
CC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])C=C1C	REAL300013220178	1	46	-2.0	-123.47	387.06	7.65	-115.82
COC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])C=C1O	REAL300013220179	1	45	-2.0	-119.09	389.11	3.49	-115.60
COC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])C=C1Cl	REAL300013220180	1	44	-2.0	-117.79	394.36	6.23	-111.56
CC(C)(C)C1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013220181	1	40	-2.0	-126.50	325.30	7.63	-118.87
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013220182	1	40	-2.0	-114.47	365.61	6.88	-107.59
CC(C)(C)C1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013220183	1	38	-2.0	-118.85	325.38	7.67	-111.18
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013220184	1	43	-2.0	-120.91	342.21	6.42	-114.49
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013220185	1	40	-2.0	-120.29	327.70	5.31	-114.98
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300013220186	1	46	-2.0	-121.49	347.88	7.07	-114.42
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013220187	1	43	-2.0	-115.70	371.08	7.30	-108.40
CC(C)(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013220188	1	43	-2.0	-117.34	371.72	9.41	-107.93
CC(C)(C)C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013220189	1	40	-2.0	-121.44	348.64	6.45	-114.99
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013220190	1	40	-2.0	-121.45	348.85	6.37	-115.08
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013220191	1	43	-2.0	-115.70	371.08	7.30	-108.40
CCC(C)C(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220192	1	42	-2.0	-115.69	342.65	5.32	-110.37
CC(C)(C)C1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013220193	1	40	-2.0	-126.50	325.30	7.63	-118.87
CCCC(C)(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220194	1	42	-2.0	-116.88	338.34	5.32	-111.56
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220195	1	42	-2.0	-114.38	348.66	7.46	-106.92
CC(C)(C)C1=CSC([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300013220196	1	44	-2.0	-128.29	363.29	9.72	-118.57
CC(C)(C)C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013220197	1	40	-2.0	-118.53	326.95	5.28	-113.25
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300013220198	1	37	-2.0	-118.53	340.26	5.52	-113.01
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013220199	1	43	-2.0	-120.91	342.21	6.42	-114.49
CC(C)(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=N1	REAL300013220200	1	43	-2.0	-107.92	382.41	9.64	-98.28
CC(C)(C)C1=CSC([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013220201	1	47	-2.0	-121.36	399.36	7.41	-113.95
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220202	1	42	-2.0	-115.81	343.94	5.26	-110.55
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013220203	1	40	-2.0	-120.29	327.70	5.31	-114.98
CC(C)(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300013220204	1	43	-2.0	-107.65	372.08	9.19	-98.46
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013220205	1	44	-2.0	-124.25	368.20	7.58	-116.67
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300013220206	1	40	-2.0	-119.92	359.48	6.58	-113.34
CC(C)(C)C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013220207	1	43	-2.0	-123.14	356.95	7.08	-116.06
CCCCCCC(C)(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220208	1	51	-2.0	-117.62	402.83	7.67	-109.95
CC(C)(C)C1=CSC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013220209	1	38	-2.0	-122.27	324.53	2.89	-119.38
CC(C)(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)=N1	REAL300013220210	1	44	-2.0	-118.90	393.81	7.26	-111.64
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013220211	1	40	-2.0	-114.47	365.61	6.88	-107.59
CC(C)(C)C1=CSC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013220212	1	38	-2.0	-120.18	316.43	5.25	-114.93
CN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013220213	1	46	-2.0	-120.46	353.62	8.16	-112.30
CC(C)(C)C1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013220214	1	46	-2.0	-117.25	394.15	10.18	-107.07
CN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013220215	1	43	-2.0	-115.64	357.90	8.26	-107.38
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220216	1	40	-2.0	-115.61	344.12	5.58	-110.03
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300013220217	1	44	-2.0	-128.12	363.55	7.34	-120.78
CC(C)(C)C1=CSC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013220218	1	40	-2.0	-126.49	325.23	7.71	-118.78
CC(C)(C)C1=CSC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013220219	1	38	-2.0	-120.56	325.32	2.63	-117.93
CC(C)(C)C1=CSC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013220220	1	40	-2.0	-121.32	330.45	6.82	-114.50
CC(C)(C)C1=CSC([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013220221	1	47	-2.0	-121.43	404.78	7.31	-114.12
CC(C)(C)C1=CSC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013220222	1	43	-2.0	-125.95	340.17	8.46	-117.49
CCCCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220223	1	42	-2.0	-113.90	355.70	5.84	-108.06
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300013220224	1	41	-2.0	-120.49	359.66	3.58	-116.91
CC(C)(C)C1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013220225	1	46	-2.0	-117.25	394.15	10.18	-107.07
CC(C)(C)C1=CSC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013220226	1	40	-2.0	-121.37	330.39	6.82	-114.55
CN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013220227	1	46	-2.0	-120.46	353.62	8.16	-112.30
CC(C)(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013220228	1	43	-2.0	-115.62	349.08	7.96	-107.66
COCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220229	1	37	-2.0	-116.18	324.42	2.58	-113.60
CCCCCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220230	1	45	-2.0	-113.98	377.20	6.62	-107.36
CC(C)(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013220231	1	42	-2.0	-116.15	343.49	5.40	-110.75
CCC1CCC(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)(C(=O)[O-])CC1	REAL300013220232	1	49	-2.0	-121.26	381.28	7.67	-113.59
CC(C)(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013220233	1	44	-2.0	-115.45	357.52	6.29	-109.16
CN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C1(C(=O)[O-])CCCC1	REAL300013220234	1	43	-2.0	-122.19	340.27	7.21	-114.98
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C1CC1	REAL300013220235	1	40	-2.0	-106.74	323.78	6.62	-100.12
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C1CC1	REAL300013220236	1	43	-2.0	-109.42	347.28	8.13	-101.29
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300013220237	1	40	-2.0	-121.62	360.83	6.80	-114.82
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300013220238	1	40	-2.0	-125.52	353.27	6.46	-119.06
CC(C)(C)C1=CSC([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013220239	1	44	-2.0	-120.59	365.86	9.18	-111.41
CC1=CC=CC(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])=C1C	REAL300013220240	1	46	-2.0	-122.86	381.64	7.49	-115.37
COC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])C=C1F	REAL300013220241	1	44	-2.0	-117.94	384.56	5.74	-112.20
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C1CC1	REAL300013220242	1	44	-2.0	-106.86	360.11	7.54	-99.32
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C1CCC1	REAL300013220243	1	43	-2.0	-107.39	346.75	7.54	-99.85
CCCN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(COC)C(=O)[O-]	REAL300013220244	1	46	-2.0	-111.61	372.28	6.70	-104.91
CCCN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(CC)C(=O)[O-]	REAL300013220245	1	45	-2.0	-109.07	360.47	8.10	-100.97
CC(C)C[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220246	1	42	-2.0	-115.00	351.40	5.59	-109.41
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013220247	1	41	-2.0	-116.72	333.64	3.92	-112.80
C=CCCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220248	1	40	-2.0	-113.68	347.01	5.62	-108.06
CCC(CC)(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220249	1	42	-2.0	-117.91	333.51	5.47	-112.44
COC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])C=C1	REAL300013220250	1	44	-2.0	-118.98	378.38	5.66	-113.32
CCC(COC)(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220251	1	43	-2.0	-120.78	351.75	4.77	-116.01
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)=N1	REAL300013220252	1	43	-2.0	-115.59	358.68	2.40	-113.19
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013220253	1	40	-2.0	-114.68	344.31	5.85	-108.83
COCCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220254	1	40	-2.0	-111.85	346.13	3.42	-108.43
CC(C)(C)C1=CSC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013220255	1	36	-2.0	-108.29	324.81	4.64	-103.65
CCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013220256	1	46	-2.0	-118.26	390.36	8.47	-109.79
CCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013220257	1	46	-2.0	-124.58	373.67	7.95	-116.63
COC1CCCC(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])C1	REAL300013220258	1	50	-2.0	-120.61	398.23	5.57	-115.04
CC(C)(C)C1=CSC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013220259	1	36	-2.0	-108.73	319.05	4.49	-104.24
COC1(CC(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])CCC1	REAL300013220260	1	47	-2.0	-118.29	382.79	5.71	-112.58
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC(C(C)(C)C)=CS2)=C1	REAL300013220261	1	47	-2.0	-117.77	387.34	7.54	-110.23
CC(C)(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013220262	1	44	-2.0	-115.45	357.52	6.29	-109.16
CC(C)(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300013220263	1	46	-2.0	-116.94	366.49	8.68	-108.26
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)(C(=O)[O-])CC1	REAL300013220264	1	46	-2.0	-121.64	356.01	6.80	-114.84
COC1=CC=CC(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])=C1	REAL300013220265	1	44	-2.0	-123.10	378.38	5.65	-117.45
CC(C)(C)C1=CSC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013220266	1	39	-2.0	-111.04	323.43	4.72	-106.32
CC(C)(C)C1=CSC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300013220267	1	41	-2.0	-116.95	348.45	7.31	-109.64
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])=C1	REAL300013220268	1	44	-2.0	-123.12	378.33	5.66	-117.46
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C1	REAL300013220269	1	46	-2.0	-121.93	380.01	8.24	-113.69
COC1=CC=CC(CC(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])=C1	REAL300013220270	1	47	-2.0	-118.66	400.34	6.68	-111.98
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300013220271	1	49	-2.0	-122.82	370.13	7.28	-115.54
CC(C)(C)C1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013220272	1	38	-2.0	-125.26	319.65	6.83	-118.43
CC(C)(C)C1=CSC([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=N1	REAL300013220273	1	46	-2.0	-115.15	390.99	7.93	-107.22
CC(C)(C)C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300013220274	1	45	-2.0	-122.61	385.16	7.75	-114.86
COC1CN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(C)(C(=O)[O-])C1	REAL300013220275	1	44	-2.0	-120.79	363.62	5.78	-115.01
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300013220276	1	47	-2.0	-116.46	379.63	5.87	-110.59
CC(C)(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013220277	1	42	-2.0	-116.15	343.49	5.40	-110.75
C=C(Cl)CC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220278	1	37	-2.0	-111.62	340.95	5.48	-106.14
C=C(C)CC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220279	1	40	-2.0	-113.38	345.62	5.66	-107.72
CC(C)(C)C1=CSC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013220280	1	41	-2.0	-125.00	333.19	7.56	-117.44
CC(C)(C)C1=CSC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013220281	1	38	-2.0	-120.87	325.34	2.62	-118.25
CC(C)(C)C1=CSC([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013220282	1	46	-2.0	-114.98	380.67	7.48	-107.50
CC(C)(C)C1=CSC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013220283	1	37	-2.0	-111.17	326.26	6.42	-104.75
CC(C)(C)C1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013220284	1	37	-2.0	-116.23	319.77	6.37	-109.86
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C1	REAL300013220285	1	38	-2.0	-122.43	326.52	6.72	-115.71
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300013220286	1	47	-2.0	-114.61	383.33	5.13	-109.48
CC(C)C[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220287	1	42	-2.0	-115.00	351.40	5.59	-109.41
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013220288	1	44	-2.0	-117.68	357.19	4.09	-113.59
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013220289	1	40	-2.0	-121.45	348.85	6.37	-115.08
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013220290	1	40	-2.0	-114.68	344.31	5.85	-108.83
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])=N1	REAL300013220291	1	39	-2.0	-113.64	356.85	4.49	-109.15
CC(C)CCCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220292	1	48	-2.0	-114.34	394.52	7.20	-107.14
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300013220293	1	46	-2.0	-119.13	401.00	7.70	-111.43
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300013220294	1	44	-2.0	-120.94	368.89	4.68	-116.26
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220295	1	37	-2.0	-118.25	320.84	1.19	-117.06
CSCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220296	1	37	-2.0	-113.82	336.16	4.71	-109.11
COC[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220297	1	37	-2.0	-116.18	324.07	2.53	-113.65
CC(C)(C)C1=CSC([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013220298	1	43	-2.0	-111.56	377.30	7.44	-104.12
CCC(C)CC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220299	1	45	-2.0	-115.18	369.39	6.31	-108.87
C=CCCCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220300	1	43	-2.0	-113.79	368.27	6.46	-107.33
CC(C)(C)C1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013220301	1	43	-2.0	-111.52	377.24	7.44	-104.08
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=N1	REAL300013220302	1	46	-2.0	-129.31	389.77	8.53	-120.78
CC(C)(C)C1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013220303	1	38	-2.0	-118.85	325.38	7.67	-111.18
CC(C)(C)C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013220304	1	43	-2.0	-123.14	356.95	7.08	-116.06
CC(C)(C)C1=CSC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013220305	1	41	-2.0	-127.52	336.01	7.91	-119.61
CCN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(C)(C)C(=O)[O-]	REAL300013220306	1	42	-2.0	-118.89	338.48	7.27	-111.62
CCCN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(C)C(=O)[O-]	REAL300013220307	1	42	-2.0	-108.36	343.47	7.16	-101.20
CC(C)(C)C1=CSC([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013220308	1	45	-2.0	-114.91	370.53	7.87	-107.04
CC(C)(C)C1=CSC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013220309	1	41	-2.0	-128.40	337.40	7.32	-121.08
CC(C)(C)C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013220310	1	40	-2.0	-121.44	348.64	6.45	-114.99
CCC(C)CC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220313	1	45	-2.0	-115.18	369.39	6.31	-108.87
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220314	1	46	-2.0	-113.21	376.56	9.35	-103.86
CC(C)=CCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220315	1	43	-2.0	-115.48	365.38	6.21	-109.27
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013220316	1	42	-2.0	-112.86	366.26	5.53	-107.33
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220317	1	46	-2.0	-109.43	377.47	6.64	-102.79
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220318	1	45	-2.0	-107.26	363.64	7.97	-99.29
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1	REAL300013220319	1	39	-2.0	-124.68	345.24	4.79	-119.89
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220320	1	46	-2.0	-124.16	367.84	8.73	-115.43
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220321	1	46	-2.0	-113.10	375.88	9.25	-103.85
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013220324	1	42	-2.0	-112.86	366.26	5.53	-107.33
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300013220325	1	39	-2.0	-118.02	343.52	4.65	-113.37
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220326	1	44	-2.0	-122.89	358.86	7.01	-115.88
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220327	0	44	-2.0	-125.10	367.26	10.25	-114.85
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)[C@H]1C(=O)[O-]	REAL300013220328	0	47	-2.0	-119.57	377.96	9.75	-109.82
CC(C)(C)C1=CSC([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013220329	1	45	-2.0	-113.52	388.15	6.33	-107.19
C=CCCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220330	1	40	-2.0	-113.68	347.01	5.62	-108.06
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300013220331	1	39	-2.0	-114.99	357.66	4.30	-110.69
CC(C)(C)C1=CSC([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300013220332	1	40	-2.0	-107.57	376.33	6.13	-101.44
CC#CCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220333	1	38	-2.0	-114.96	340.56	5.72	-109.24
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)CC1=O	REAL300013220334	1	41	-2.0	-115.81	341.80	5.60	-110.21
CC(C)(C)C1=CSC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013220335	1	40	-2.0	-121.35	330.44	6.81	-114.54
CC(C)(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013220336	1	40	-2.0	-121.26	348.23	6.41	-114.85
CC(C)(C)C1=CSC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300013220337	1	43	-2.0	-122.02	362.66	5.65	-116.37
CC(C)(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013220338	1	43	-2.0	-115.62	349.08	7.96	-107.66
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220339	1	42	-2.0	-115.81	343.94	5.26	-110.55
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013220340	1	41	-2.0	-122.52	346.11	2.19	-120.33
CCN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013220341	1	49	-2.0	-121.04	396.55	10.46	-110.58
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220342	1	49	-2.0	-119.92	392.44	5.52	-114.40
CC1CCC(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)(C(=O)[O-])C1	REAL300013220343	1	43	-2.0	-121.49	347.74	5.91	-115.58
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300013220344	1	46	-2.0	-123.66	356.57	6.54	-117.12
COCCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220345	1	40	-2.0	-111.85	346.13	3.42	-108.43
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013220346	1	43	-2.0	-121.81	350.26	6.60	-115.21
CC1CCC(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)(C(=O)[O-])C2=CC=CC=C21	REAL300013220347	1	50	-2.0	-131.61	397.54	8.60	-123.01
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013220348	1	40	-2.0	-117.23	334.16	5.63	-111.60
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220349	1	49	-2.0	-120.30	396.58	5.57	-114.73
CC(C)(C)C1=CSC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013220350	1	38	-2.0	-128.91	325.35	2.81	-126.10
CC(C)(C)C1=CSC([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013220351	1	48	-2.0	-125.66	393.06	10.28	-115.38
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013220352	1	41	-2.0	-112.40	339.87	3.30	-109.10
CC(C)(C)C1=CSC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013220353	1	41	-2.0	-124.89	335.36	7.38	-117.51
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=N1	REAL300013220354	1	44	-2.0	-127.58	380.98	6.43	-121.15
CC(C)(C)C1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013220355	1	39	-2.0	-120.47	326.65	5.11	-115.36
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C1	REAL300013220356	1	43	-2.0	-127.11	346.15	8.21	-118.90
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220357	1	46	-2.0	-117.56	378.51	7.36	-110.20
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013220358	1	47	-2.0	-116.58	384.55	7.46	-109.12
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013220359	1	40	-2.0	-116.49	333.35	5.19	-111.30
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=N1	REAL300013220360	1	53	-2.0	-120.23	406.08	7.04	-113.19
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013220361	1	46	-2.0	-118.15	365.77	6.57	-111.58
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013220362	1	40	-2.0	-116.49	333.35	5.19	-111.30
CC1CCN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C1C(=O)[O-]	REAL300013220363	1	40	-2.0	-122.34	327.05	6.80	-115.54
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300013220364	1	47	-2.0	-118.39	384.94	6.02	-112.37
CC(C)(C)C1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300013220365	1	47	-2.0	-126.93	361.51	8.12	-118.81
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=N1	REAL300013220366	1	47	-2.0	-117.60	362.76	5.22	-112.38
CC1=CC=CC2=C1CCN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)C2C(=O)[O-]	REAL300013220367	1	47	-2.0	-121.53	383.43	9.66	-111.87
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013220368	1	47	-2.0	-116.58	384.55	7.46	-109.12
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013220369	1	43	-2.0	-113.27	377.30	7.44	-105.83
COC1CC(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)(C(=O)[O-])C1	REAL300013220370	1	41	-2.0	-116.88	345.41	3.77	-113.11
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013220371	1	37	-2.0	-113.83	322.26	4.93	-108.90
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)(C(=O)[O-])C1	REAL300013220372	1	41	-2.0	-116.88	345.45	3.77	-113.11
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300013220373	1	40	-2.0	-112.65	352.82	6.05	-106.60
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220374	1	43	-2.0	-123.46	343.78	8.05	-115.41
CC(C)(C)C1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013220375	1	36	-2.0	-108.13	328.41	5.06	-103.07
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013220376	1	44	-2.0	-114.65	366.26	4.37	-110.28
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300013220377	1	40	-2.0	-114.05	363.00	6.36	-107.69
COCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013220378	1	47	-2.0	-124.33	389.65	6.25	-118.08
CC(C)C(C)(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220379	1	42	-2.0	-117.27	331.77	5.19	-112.08
CC(C)(C)C1=CSC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013220380	1	38	-2.0	-126.10	320.70	7.38	-118.72
CC(C)(C)C1=CSC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013220381	1	41	-2.0	-125.41	336.41	6.92	-118.49
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220382	1	46	-2.0	-113.10	375.88	9.25	-103.85
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013220383	1	49	-2.0	-116.89	392.20	7.51	-109.38
CC(C)(C)C1=CSC([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013220384	1	46	-2.0	-115.97	394.11	8.08	-107.89
CC(C)(C)C1=CSC([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013220385	1	46	-2.0	-116.01	393.87	8.14	-107.87
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300013220386	1	47	-2.0	-120.34	374.99	6.95	-113.39
CC(C)(C)C1=CSC([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013220387	1	49	-2.0	-116.98	393.08	7.49	-109.49
CC(C)(C)C1=CSC([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013220388	1	49	-2.0	-117.01	393.03	7.49	-109.52
CC(C)(C)C1=CSC([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300013220389	1	47	-2.0	-126.67	375.62	8.33	-118.34
CC(C)(C)C1=CSC([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300013220390	1	47	-2.0	-125.83	371.04	8.10	-117.73
COC1=CC=C(CC(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])C=C1	REAL300013220391	1	47	-2.0	-115.80	399.73	6.63	-109.17
C=CCSCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220392	1	41	-2.0	-114.64	370.68	6.10	-108.54
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=N1	REAL300013220393	1	44	-2.0	-110.67	391.90	7.70	-102.97
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220394	1	42	-2.0	-106.99	339.02	7.29	-99.70
COC1(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])CCC1	REAL300013220395	1	44	-2.0	-115.10	360.30	3.97	-111.13
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=N1	REAL300013220396	1	46	-2.0	-116.68	374.62	7.25	-109.43
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=N1	REAL300013220397	1	47	-2.0	-124.54	380.17	8.33	-116.21
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300013220398	1	40	-2.0	-116.46	343.94	5.63	-110.83
CC(C)(C)C1=CSC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013220399	0	40	-2.0	-115.78	345.95	6.69	-109.09
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013220399	1	39	-3.0	-193.91	341.34	5.38	-188.53
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300013220400	1	52	-2.0	-121.56	425.09	8.68	-112.88
CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])C=C1	REAL300013220401	1	49	-2.0	-121.36	408.87	8.38	-112.98
CC(C)(C)C1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013220402	1	37	-2.0	-116.23	319.77	6.37	-109.86
CC(C)(C)C1=CSC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013220403	1	39	-2.0	-123.51	329.13	7.13	-116.38
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013220404	1	43	-2.0	-125.34	349.45	6.97	-118.37
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)(C)C)=CS2)C(=O)[O-])C=C1	REAL300013220405	1	47	-2.0	-118.78	400.20	6.58	-112.20
CC(C)(C)C1=CSC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300013220406	1	47	-2.0	-129.16	369.39	9.26	-119.90
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300013220407	1	47	-2.0	-118.04	389.31	8.26	-109.78
CC(C)(C)C1=CSC([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013220408	1	47	-2.0	-122.16	391.29	7.32	-114.84
CC(C)(C)C1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=N1	REAL300013220409	1	43	-2.0	-114.15	385.09	7.29	-106.86
CC(C)CCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220410	1	45	-2.0	-114.37	373.26	6.36	-108.01
CC(C)(C)C1=CSC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300013220411	1	44	-2.0	-126.62	360.60	7.84	-118.78
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013220412	1	44	-2.0	-114.65	366.26	4.37	-110.28
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C1	REAL300013220413	1	41	-2.0	-118.02	357.56	7.27	-110.75
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220414	1	37	-2.0	-118.17	322.67	1.05	-117.12
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300013220415	1	44	-2.0	-123.77	348.04	7.05	-116.72
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013220416	1	41	-2.0	-121.63	336.34	5.91	-115.72
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300013220417	1	44	-2.0	-121.85	356.45	6.52	-115.33
CC(C)(C)C1=CSC([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=N1	REAL300013220418	1	50	-2.0	-128.05	389.81	8.79	-119.26
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013220419	1	43	-2.0	-117.28	348.87	5.88	-111.40
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220420	1	40	-2.0	-116.76	342.22	3.54	-113.22
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220421	1	40	-2.0	-120.13	326.84	5.42	-114.71
CC(C)(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013220422	1	43	-2.0	-117.34	371.72	9.41	-107.93
CC(C)(C)C1=CSC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013220423	1	43	-2.0	-126.02	353.55	7.14	-118.88
CC(C)(C)C1=CSC([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=N1	REAL300013220424	1	44	-2.0	-118.63	374.44	9.61	-109.02
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300013220425	1	40	-2.0	-117.30	336.63	7.83	-109.47
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013220426	1	37	-2.0	-118.19	324.98	6.40	-111.79
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013220427	1	43	-2.0	-113.27	377.30	7.44	-105.83
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013220428	1	40	-2.0	-113.39	361.95	6.22	-107.17
CC(C)(C)C1=CSC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300013220429	1	40	-2.0	-110.93	342.48	6.93	-104.00
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=N1	REAL300013220430	1	44	-2.0	-120.01	375.64	6.95	-113.06
CC(C)(C)C1=CSC([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=N1	REAL300013220431	1	48	-2.0	-121.42	400.55	8.67	-112.75
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013220432	1	40	-2.0	-113.39	361.95	6.22	-107.17
CC(C)(C)C1=CSC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013220433	1	44	-2.0	-126.51	351.59	7.67	-118.84
CC(C)(C)C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013220434	1	41	-2.0	-118.53	359.89	3.51	-115.02
COCCCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220435	1	43	-2.0	-114.66	367.63	4.19	-110.47
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013220436	1	42	-2.0	-106.83	347.28	7.39	-99.44
CCOCC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220437	1	40	-2.0	-117.05	346.28	3.55	-113.50
CC(C)(C)CC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220438	1	45	-2.0	-115.43	363.28	6.77	-108.66
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300013220439	1	44	-2.0	-119.89	361.44	4.45	-115.44
CC(C)(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013220440	1	44	-2.0	-124.25	368.20	7.58	-116.67
C[C@H]1OCCN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)[C@@H]1C(=O)[O-]	REAL300013220441	1	41	-2.0	-122.16	336.46	5.82	-116.34
CC(C)(C)C1=CSC([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=N1	REAL300013220442	1	43	-2.0	-107.05	356.45	7.52	-99.53
CC(C)(C)C1=CSC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013220443	1	37	-2.0	-107.99	333.31	4.86	-103.13
CC(C)(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=N1	REAL300013220444	1	54	-2.0	-123.63	403.64	8.41	-115.22
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013220445	1	46	-2.0	-118.14	395.62	7.69	-110.45
CC(C)(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1	REAL300013220446	1	40	-2.0	-116.98	353.41	7.55	-109.43
CC(C)(C)C1=CSC([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=N1	REAL300013220447	1	51	-2.0	-126.98	386.86	8.37	-118.61
CC(C)(C)C1=CSC([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300013220448	1	42	-2.0	-111.99	382.62	5.99	-106.00
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C1	REAL300013220449	1	44	-2.0	-123.67	368.42	6.22	-117.45
COCC(C)(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220450	1	49	-2.0	-128.71	381.31	4.44	-124.27
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220451	1	52	-2.0	-116.70	403.11	6.47	-110.23
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220452	1	51	-2.0	-119.95	394.88	8.00	-111.95
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CC1	REAL300013220453	1	46	-2.0	-122.04	360.09	7.19	-114.85
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCOC1	REAL300013220454	1	47	-2.0	-124.90	364.83	3.33	-121.57
C=CCOCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220455	1	50	-2.0	-126.42	405.06	4.62	-121.80
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220456	1	50	-2.0	-143.74	379.37	5.69	-138.05
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220457	1	49	-2.0	-122.95	390.47	5.99	-116.96
CC1CCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C(C(=O)[O-])C1	REAL300013220458	1	52	-2.0	-139.60	393.28	8.89	-130.71
CC(C)C(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220459	1	48	-2.0	-124.85	375.97	5.41	-119.44
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220460	1	49	-2.0	-138.94	372.33	8.36	-130.58
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220461	1	47	-2.0	-130.87	371.87	8.30	-122.57
O=C([N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)NC1(C(=O)[O-])CCCCC1	REAL300013220462	1	52	-2.0	-131.54	388.43	7.01	-124.53
O=C([O-])C1CCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220463	1	46	-2.0	-131.72	359.56	6.85	-124.87
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCCC1	REAL300013220464	1	49	-2.0	-130.85	373.92	5.91	-124.94
O=C([O-])CNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220465	1	39	-2.0	-106.41	316.31	3.00	-103.41
CCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220466	1	45	-2.0	-122.57	358.10	4.85	-117.72
CC(C)C(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220467	1	48	-2.0	-124.85	375.97	5.41	-119.44
CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220468	1	42	-2.0	-119.87	337.16	5.96	-113.91
O=C([O-])C(CO)NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220469	1	43	-2.0	-126.33	348.53	0.66	-125.67
O=C([O-])C(CO)NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220470	1	43	-2.0	-126.33	348.53	0.66	-125.67
CC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220471	1	42	-2.0	-107.53	337.10	3.82	-103.71
CCC(C)C(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220472	1	51	-2.0	-125.36	392.05	6.06	-119.30
CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220473	1	42	-2.0	-119.87	337.16	5.96	-113.91
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220474	1	49	-2.0	-138.94	372.33	8.36	-130.58
CCCC(C)(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220475	1	51	-2.0	-127.16	384.56	5.91	-121.25
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220476	1	48	-2.0	-121.98	369.20	7.27	-114.71
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CC1	REAL300013220477	1	46	-2.0	-122.04	360.09	7.19	-114.85
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220478	1	46	-2.0	-120.53	371.78	7.50	-113.03
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220479	1	51	-2.0	-119.95	394.88	8.00	-111.95
CC(C)(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220480	1	45	-2.0	-104.23	349.68	4.22	-100.01
CC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)(C(=O)[O-])C1CC1	REAL300013220481	1	49	-2.0	-129.05	375.82	6.00	-123.05
O=C([N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)NC1(C(=O)[O-])CCCCC1	REAL300013220482	1	52	-2.0	-131.54	388.43	7.01	-124.53
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220483	1	48	-2.0	-121.98	369.20	7.27	-114.71
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220484	1	48	-2.0	-120.33	380.47	7.70	-112.63
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220485	1	45	-2.0	-120.96	358.97	6.94	-114.02
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220486	1	43	-2.0	-126.30	348.05	0.66	-125.64
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220487	1	51	-2.0	-125.66	390.19	5.81	-119.85
CC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220488	1	42	-2.0	-107.53	337.10	3.82	-103.71
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCCC1	REAL300013220489	1	49	-2.0	-130.85	373.92	5.91	-124.94
CCC(C)(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220490	1	48	-2.0	-125.75	363.07	5.16	-120.59
C[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220491	1	42	-2.0	-107.50	337.13	3.83	-103.67
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220492	1	45	-2.0	-120.96	358.97	6.94	-114.02
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220493	1	47	-2.0	-133.97	371.61	3.18	-130.79
C[C@@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220494	1	42	-2.0	-107.85	337.44	3.79	-104.06
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC1	REAL300013220495	1	43	-2.0	-130.24	343.25	4.98	-125.26
O=C([O-])C1COCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220496	1	47	-2.0	-132.19	362.79	5.76	-126.43
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CC1	REAL300013220497	1	46	-2.0	-124.59	365.85	5.34	-119.25
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220498	1	49	-2.0	-121.20	390.35	6.12	-115.08
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220499	1	46	-2.0	-132.66	360.31	6.59	-126.07
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220500	1	49	-2.0	-138.87	371.50	8.34	-130.53
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220501	1	47	-2.0	-130.68	371.60	3.49	-127.19
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220502	1	45	-2.0	-113.70	351.58	6.09	-107.61
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220503	1	46	-2.0	-131.79	359.51	6.86	-124.93
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCC1	REAL300013220504	1	46	-2.0	-130.93	360.48	5.52	-125.41
C=CCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220505	1	46	-2.0	-122.62	372.24	5.28	-117.34
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220506	1	49	-2.0	-131.52	376.65	7.40	-124.12
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220507	1	52	-2.0	-137.73	387.36	8.92	-128.81
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CC1	REAL300013220508	1	46	-2.0	-124.59	365.85	5.34	-119.25
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220509	1	45	-2.0	-114.10	351.13	6.19	-107.91
CCCCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220510	1	51	-2.0	-123.33	401.10	6.40	-116.93
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220511	1	49	-2.0	-131.28	377.43	7.42	-123.86
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CCCC1	REAL300013220512	1	52	-2.0	-120.87	395.30	8.52	-112.35
COCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220513	1	46	-2.0	-125.42	370.79	3.06	-122.36
CCCCCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220514	1	54	-2.0	-123.65	423.43	7.16	-116.49
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220515	1	51	-2.0	-125.89	389.72	5.95	-119.94
CN(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1(C(=O)[O-])CCCC1	REAL300013220516	1	52	-2.0	-135.46	387.83	8.09	-127.37
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CC1	REAL300013220517	1	49	-2.0	-115.19	369.98	7.19	-108.00
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CC1	REAL300013220518	1	52	-2.0	-117.21	393.07	8.90	-108.31
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220519	1	48	-2.0	-120.33	380.47	7.70	-112.63
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CCC1	REAL300013220520	1	52	-2.0	-125.99	392.60	9.03	-116.96
CCCN(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(CC)C(=O)[O-]	REAL300013220521	1	54	-2.0	-124.53	407.85	9.64	-114.89
O=C([O-])CNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220522	1	39	-2.0	-106.41	316.31	3.00	-103.41
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220523	1	51	-2.0	-124.76	397.64	6.18	-118.58
O=C([N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)NC1(C(=O)[O-])CCOCC1	REAL300013220524	1	50	-2.0	-126.79	379.86	4.52	-122.27
C=CCCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220525	1	49	-2.0	-123.23	392.41	6.18	-117.05
O=C([O-])C(CF)NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220526	1	42	-2.0	-107.01	340.72	3.84	-103.17
CCC(CC)(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220527	1	51	-2.0	-128.21	379.46	6.06	-122.15
CCC(COC)(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220528	1	52	-2.0	-131.12	397.75	5.37	-125.75
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220529	1	49	-2.0	-124.12	389.70	6.42	-117.70
COCCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220530	1	49	-2.0	-121.00	391.77	3.91	-117.09
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220531	1	45	-2.0	-117.48	371.28	5.13	-112.35
O=C([O-])C(CCF)NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220532	1	45	-2.0	-117.64	365.52	4.98	-112.66
CC(CCF)(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220533	1	48	-2.0	-120.28	369.66	5.30	-114.98
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220534	1	45	-2.0	-113.42	352.09	6.19	-107.23
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220535	1	47	-2.0	-136.52	366.11	7.44	-129.08
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220536	1	51	-2.0	-125.89	389.72	5.95	-119.94
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220537	1	46	-2.0	-120.35	387.37	5.92	-114.43
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220538	1	49	-2.0	-122.72	391.95	6.05	-116.67
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220539	1	50	-2.0	-136.10	379.66	8.20	-127.90
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220540	1	47	-2.0	-131.52	371.62	3.20	-128.32
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220541	1	46	-2.0	-126.07	366.81	6.97	-119.10
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013220542	1	47	-2.0	-132.89	372.75	7.30	-125.59
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220543	1	51	-2.0	-124.76	397.64	6.18	-118.58
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220544	1	49	-2.0	-124.12	389.70	6.42	-117.70
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220545	1	46	-2.0	-122.37	365.22	1.95	-120.42
CSCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220546	1	46	-2.0	-123.17	381.72	5.29	-117.88
COC[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220547	1	46	-2.0	-125.40	370.80	3.09	-122.31
CC[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220548	1	45	-2.0	-122.75	358.95	4.85	-117.90
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220549	1	54	-2.0	-125.64	415.09	6.86	-118.78
C=CCCCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220550	1	52	-2.0	-123.21	413.91	6.96	-116.25
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220551	1	47	-2.0	-130.87	371.87	8.30	-122.57
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220552	1	46	-2.0	-132.66	360.31	6.59	-126.07
CCCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220553	1	48	-2.0	-123.21	379.60	5.62	-117.59
CC(C)[C@@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220554	1	48	-2.0	-124.57	370.40	5.25	-119.32
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220555	1	50	-2.0	-139.15	382.32	8.56	-130.59
CCN(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(C)(C)C(=O)[O-]	REAL300013220556	1	51	-2.0	-128.90	385.38	7.84	-121.06
CCCN(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(C)C(=O)[O-]	REAL300013220557	1	51	-2.0	-123.38	393.14	8.78	-114.60
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220558	1	48	-2.0	-123.76	380.45	5.60	-118.16
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220559	1	50	-2.0	-133.68	383.81	7.95	-125.73
CN(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(C)(C)C(=O)[O-]	REAL300013220560	1	48	-2.0	-127.81	366.21	6.98	-120.83
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220561	1	46	-2.0	-131.79	359.51	6.86	-124.93
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220563	1	54	-2.0	-125.64	415.09	6.86	-118.78
C#CCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220564	1	44	-2.0	-122.47	364.37	5.26	-117.21
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220565	1	45	-2.0	-114.10	351.13	6.19	-107.91
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220566	1	52	-2.0	-124.70	411.64	6.74	-117.96
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220567	1	54	-2.0	-116.19	409.32	8.46	-107.73
C=CCCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220569	1	49	-2.0	-123.23	392.41	6.18	-117.05
CC#CCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220570	1	47	-2.0	-124.39	386.19	6.22	-118.17
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220571	1	49	-2.0	-131.75	377.44	7.42	-124.33
CC(C)[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220572	1	48	-2.0	-124.40	371.66	5.18	-119.22
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220573	1	45	-2.0	-113.42	352.09	6.19	-107.23
CCC[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220574	1	48	-2.0	-123.17	379.59	5.62	-117.55
CCN(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(C)C(=O)[O-]	REAL300013220575	1	48	-2.0	-115.92	370.54	7.03	-108.89
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CCCC1	REAL300013220576	1	52	-2.0	-120.87	395.30	8.52	-112.35
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220577	1	51	-2.0	-125.66	390.19	5.81	-119.85
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220578	1	48	-2.0	-114.19	372.03	7.17	-107.02
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC(CO)C1	REAL300013220579	1	50	-2.0	-133.52	392.59	2.79	-130.73
CC1CCC(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)(C(=O)[O-])C1	REAL300013220580	1	52	-2.0	-131.90	395.02	6.53	-125.37
COCCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220581	1	49	-2.0	-121.00	391.77	3.91	-117.09
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)(C(=O)[O-])C1	REAL300013220582	1	52	-2.0	-132.82	396.75	7.22	-125.60
CC1(C(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C(=O)[O-])CC1	REAL300013220583	1	49	-2.0	-127.58	380.40	6.18	-121.40
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220584	1	47	-2.0	-139.49	371.01	3.40	-136.09
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CCOC1	REAL300013220585	1	50	-2.0	-120.28	389.02	3.87	-116.41
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220586	1	50	-2.0	-135.55	382.22	7.99	-127.56
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC3=C(CC4(CCOCC4)CC3)S1)C2	REAL300013220587	1	48	-2.0	-131.25	372.87	5.71	-125.54
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013220588	1	52	-2.0	-139.48	388.23	9.14	-130.34
CN(C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1(C(=O)[O-])CC1	REAL300013220589	1	46	-2.0	-127.54	366.54	6.71	-120.83
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CCC1	REAL300013220590	1	49	-2.0	-126.37	379.57	5.74	-120.63
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CCC1	REAL300013220591	1	49	-2.0	-126.37	379.57	5.74	-120.63
CC1CCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1C(=O)[O-]	REAL300013220592	1	49	-2.0	-132.81	373.53	7.41	-125.40
C=CCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220593	1	46	-2.0	-122.62	372.24	5.28	-117.34
COC1CC(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)(C(=O)[O-])C1	REAL300013220594	1	50	-2.0	-127.34	392.45	4.39	-122.95
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)(C(=O)[O-])C1	REAL300013220595	1	50	-2.0	-133.70	392.98	4.77	-128.93
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220596	1	52	-2.0	-133.45	389.89	8.62	-124.83
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)COC1	REAL300013220597	1	44	-2.0	-121.81	350.86	2.54	-119.27
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220598	1	51	-2.0	-127.69	379.80	5.86	-121.83
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220599	1	47	-2.0	-137.72	366.95	7.98	-129.74
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220600	1	50	-2.0	-136.87	383.41	7.52	-129.35
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220601	1	51	-2.0	-116.03	386.68	7.96	-108.07
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220602	1	46	-2.0	-126.07	366.81	6.97	-119.10
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220603	1	48	-2.0	-130.84	376.01	7.69	-123.15
CC1(C)CCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1C(=O)[O-]	REAL300013220604	1	52	-2.0	-134.69	392.11	7.82	-126.87
CC(C)CCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220605	1	54	-2.0	-124.05	419.49	6.90	-117.15
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220606	1	46	-2.0	-118.94	364.86	1.48	-117.46
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220607	1	43	-2.0	-126.30	348.05	0.66	-125.64
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCC2CC21	REAL300013220608	1	50	-2.0	-132.55	381.41	6.74	-125.81
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CCCC1	REAL300013220609	1	52	-2.0	-127.55	395.10	6.43	-121.12
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220610	1	49	-2.0	-126.03	388.44	4.08	-121.95
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220611	1	49	-2.0	-133.64	382.77	6.54	-127.10
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013220612	1	52	-2.0	-131.51	399.71	7.70	-123.81
COCCCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220613	1	52	-2.0	-124.14	413.27	4.69	-119.45
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220614	1	51	-2.0	-115.94	392.96	7.89	-108.05
CCOCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220615	1	49	-2.0	-126.25	392.64	4.04	-122.21
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220616	1	54	-2.0	-125.39	409.52	7.30	-118.09
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)[C@@H]1C(=O)[O-]	REAL300013220617	1	50	-2.0	-134.59	383.72	6.58	-128.01
N#CCCC(NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220618	1	46	-2.0	-116.38	379.78	5.34	-111.04
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013220619	1	45	-2.0	-113.70	351.58	6.09	-107.61
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2	REAL300013220620	1	46	-2.0	-118.39	377.31	7.33	-111.06
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCSCC1)=N2	REAL300013220621	1	51	-2.0	-126.11	389.44	8.45	-117.66
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C)(COC)C(=O)[O-])=N2	REAL300013220622	1	50	-2.0	-130.38	384.60	6.22	-124.16
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1	REAL300013220623	1	53	-2.0	-118.11	405.86	8.28	-109.83
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N2	REAL300013220624	1	52	-2.0	-121.53	398.17	9.77	-111.76
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013220625	1	47	-2.0	-123.71	367.27	9.07	-114.64
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOC1)=N2	REAL300013220626	1	48	-2.0	-126.58	367.87	5.07	-121.51
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)=N2	REAL300013220627	1	56	-2.0	-129.30	420.88	9.06	-120.24
C=CCOCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220628	1	51	-2.0	-127.99	408.83	6.38	-121.61
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)C1C(=O)[O-])=N2	REAL300013220629	1	51	-2.0	-144.05	384.79	6.49	-137.56
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220630	1	50	-2.0	-124.00	392.23	7.76	-116.24
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)=N2	REAL300013220631	1	54	-2.0	-126.72	412.24	6.64	-120.08
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCC(OC)CC1C(=O)[O-])=N2	REAL300013220632	1	54	-2.0	-139.62	407.30	9.01	-130.61
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCOC1)=N2	REAL300013220633	1	54	-2.0	-125.28	406.10	6.49	-118.79
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCC(C)CC1C(=O)[O-])=N2	REAL300013220634	1	53	-2.0	-140.28	394.83	10.42	-129.86
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N2	REAL300013220635	1	49	-2.0	-125.31	373.34	6.92	-118.39
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013220636	1	50	-2.0	-140.56	374.10	10.06	-130.50
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013220637	1	48	-2.0	-132.57	374.33	10.05	-122.52
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013220638	1	53	-2.0	-132.80	391.73	8.76	-124.04
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCCC1C(=O)[O-])=N2	REAL300013220639	1	47	-2.0	-133.41	362.79	8.63	-124.78
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013220640	1	50	-2.0	-132.40	377.22	7.67	-124.73
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCCC1)=N2	REAL300013220641	1	56	-2.0	-133.60	397.42	9.44	-124.16
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NCC(=O)[O-])=N2	REAL300013220642	1	40	-2.0	-107.59	319.60	4.76	-102.83
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013220643	1	50	-2.0	-133.28	398.41	8.66	-124.62
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013220644	1	50	-2.0	-133.12	398.13	8.75	-124.37
CCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220645	1	46	-2.0	-124.10	361.38	6.62	-117.48
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N2	REAL300013220646	1	49	-2.0	-125.31	373.34	6.92	-118.39
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)CC(=O)[O-])=N2	REAL300013220647	1	43	-2.0	-121.10	340.45	7.72	-113.38
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013220648	1	44	-2.0	-127.78	351.33	2.43	-125.35
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013220649	1	44	-2.0	-127.78	351.33	2.43	-125.35
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C)C(=O)[O-])=N2	REAL300013220650	1	43	-2.0	-108.66	340.22	5.60	-103.06
CCC(C)C(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220651	1	52	-2.0	-125.92	394.41	7.77	-118.15
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)CC(=O)[O-])=N2	REAL300013220652	1	43	-2.0	-121.10	340.45	7.72	-113.38
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013220653	1	50	-2.0	-140.56	374.10	10.06	-130.50
CCCC(C)(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220654	1	52	-2.0	-128.32	387.85	7.67	-120.65
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N2	REAL300013220655	1	49	-2.0	-123.27	372.48	9.03	-114.24
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013220656	1	47	-2.0	-123.71	367.27	9.07	-114.64
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1	REAL300013220657	1	47	-2.0	-122.10	375.07	9.27	-112.83
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N2	REAL300013220658	1	52	-2.0	-121.53	398.17	9.77	-111.76
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N2	REAL300013220659	1	46	-2.0	-105.25	352.96	5.98	-99.27
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1CC1)=N2	REAL300013220660	1	50	-2.0	-130.38	379.13	7.77	-122.61
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CS1)=N2	REAL300013220661	1	47	-2.0	-129.93	390.01	7.76	-122.17
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013220662	1	53	-2.0	-132.80	391.73	8.76	-124.04
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N2	REAL300013220663	1	49	-2.0	-123.27	372.48	9.03	-114.24
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1	REAL300013220664	1	49	-2.0	-121.95	383.76	9.46	-112.49
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1	REAL300013220665	1	46	-2.0	-122.19	362.26	8.70	-113.49
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013220666	1	44	-2.0	-127.54	351.35	2.43	-125.11
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220667	1	52	-2.0	-126.96	392.73	7.61	-119.35
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C)C(=O)[O-])=N2	REAL300013220668	1	43	-2.0	-108.66	340.22	5.60	-103.06
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013220669	1	50	-2.0	-132.40	377.22	7.67	-124.73
CCC(C)(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220670	1	49	-2.0	-127.40	366.35	6.91	-120.49
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N2	REAL300013220671	1	43	-2.0	-108.96	340.70	5.54	-103.42
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1	REAL300013220672	1	46	-2.0	-122.19	362.26	8.70	-113.49
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013220673	1	48	-2.0	-135.11	374.14	5.24	-129.87
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N2	REAL300013220674	1	43	-2.0	-109.02	340.69	5.55	-103.47
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC1)=N2	REAL300013220675	1	44	-2.0	-132.05	346.56	6.73	-125.32
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCOCC1C(=O)[O-])=N2	REAL300013220676	1	48	-2.0	-132.97	365.31	7.33	-125.64
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCCC1)=N2	REAL300013220677	1	56	-2.0	-132.07	402.58	10.50	-121.57
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013220678	1	47	-2.0	-126.09	369.11	7.10	-118.99
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CCOC)CC(=O)[O-])=N2	REAL300013220679	1	50	-2.0	-122.70	393.63	7.88	-114.82
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013220680	1	47	-2.0	-133.94	363.53	8.34	-125.60
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCCC[C@@H]1C(=O)[O-])=N2	REAL300013220681	1	50	-2.0	-139.41	374.08	9.75	-129.66
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013220682	1	48	-2.0	-132.16	374.05	5.22	-126.94
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N2	REAL300013220683	1	46	-2.0	-115.58	354.30	7.80	-107.78
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013220684	1	47	-2.0	-133.98	363.64	8.33	-125.65
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC1)=N2	REAL300013220685	1	47	-2.0	-132.43	363.37	7.25	-125.18
C=CCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220686	1	47	-2.0	-124.03	375.53	7.04	-116.99
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCCC1(C)C(=O)[O-])=N2	REAL300013220687	1	50	-2.0	-133.10	379.95	9.16	-123.94
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCCCCC1C(=O)[O-])=N2	REAL300013220688	1	53	-2.0	-138.71	388.85	10.77	-127.94
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013220689	1	47	-2.0	-126.09	369.11	7.10	-118.99
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N2	REAL300013220690	1	46	-2.0	-115.39	354.29	7.89	-107.50
CCCCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220691	1	52	-2.0	-124.93	404.38	8.16	-116.77
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@]1(C)C(=O)[O-])=N2	REAL300013220692	1	50	-2.0	-132.77	379.94	9.16	-123.61
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCCC1)=N2	REAL300013220693	1	56	-2.0	-132.07	402.58	10.50	-121.57
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013220694	1	53	-2.0	-122.51	398.60	10.28	-112.23
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(COC)C(=O)[O-])=N2	REAL300013220695	1	47	-2.0	-126.83	374.07	4.83	-122.00
CCCCCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220696	1	55	-2.0	-124.96	425.88	8.94	-116.02
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2	REAL300013220697	1	52	-2.0	-127.48	393.02	7.72	-119.76
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)=N2	REAL300013220698	1	54	-2.0	-122.57	407.05	8.61	-113.96
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCC1)=N2	REAL300013220699	1	53	-2.0	-136.96	390.84	9.84	-127.12
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C(C)C(=O)[O-])C1CC1)=N2	REAL300013220700	1	50	-2.0	-114.73	380.78	10.43	-104.30
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C1CC1	REAL300013220701	1	53	-2.0	-119.23	397.08	10.61	-108.62
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1	REAL300013220702	1	49	-2.0	-121.95	383.76	9.46	-112.49
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C(COC)C(=O)[O-])C1CC1)=N2	REAL300013220703	1	54	-2.0	-117.19	410.01	10.10	-107.09
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C(C)C(=O)[O-])C1CCC1)=N2	REAL300013220704	1	53	-2.0	-114.48	396.72	9.88	-104.60
CCCN(C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(COC)C(=O)[O-]	REAL300013220705	1	56	-2.0	-130.70	426.42	10.30	-120.40
CCCN(C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(CC)C(=O)[O-]	REAL300013220706	1	55	-2.0	-126.31	410.86	11.41	-114.90
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NCC(=O)[O-])=N2	REAL300013220707	1	40	-2.0	-107.59	319.60	4.76	-102.83
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N2	REAL300013220708	1	52	-2.0	-126.28	400.92	7.90	-118.38
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOCC1)=N2	REAL300013220709	1	51	-2.0	-128.29	383.17	6.27	-122.02
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220710	1	50	-2.0	-124.84	396.53	7.92	-116.92
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CF)C(=O)[O-])=N2	REAL300013220711	1	43	-2.0	-108.11	343.84	5.62	-102.49
CCC(CC)(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220712	1	52	-2.0	-129.47	383.03	7.80	-121.67
CCC(COC)(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220713	1	53	-2.0	-132.37	401.27	7.10	-125.27
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013220714	1	50	-2.0	-125.99	393.82	8.14	-117.85
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CCOC)C(=O)[O-])=N2	REAL300013220715	1	50	-2.0	-122.48	395.89	5.65	-116.83
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N2	REAL300013220716	1	46	-2.0	-119.18	372.00	7.14	-112.04
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N2	REAL300013220717	1	46	-2.0	-119.01	368.81	6.73	-112.28
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)=N2	REAL300013220718	1	54	-2.0	-122.57	407.05	8.61	-113.96
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCCC1)=N2	REAL300013220719	1	56	-2.0	-124.16	416.01	10.98	-113.18
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)=N2	REAL300013220720	1	56	-2.0	-133.39	405.48	9.15	-124.24
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N2	REAL300013220721	1	49	-2.0	-121.90	372.94	7.07	-114.83
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N2	REAL300013220722	1	46	-2.0	-114.78	355.36	7.95	-106.83
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])C3)=N2	REAL300013220723	1	48	-2.0	-137.87	369.80	9.20	-128.67
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CC(OC)CC1(C)C(=O)[O-])=N2	REAL300013220724	1	54	-2.0	-131.99	413.13	8.12	-123.87
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2	REAL300013220725	1	52	-2.0	-127.48	393.02	7.72	-119.76
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220726	1	47	-2.0	-121.77	390.65	7.68	-114.09
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220727	1	50	-2.0	-124.31	396.10	7.79	-116.52
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1C3CCC1(C(=O)[O-])CC3)=N2	REAL300013220728	1	51	-2.0	-140.35	385.19	9.93	-130.42
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])=N2	REAL300013220729	1	48	-2.0	-133.29	376.22	4.83	-128.46
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])=N2	REAL300013220730	1	47	-2.0	-122.44	375.87	8.78	-113.66
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013220731	1	47	-2.0	-127.65	369.27	8.70	-118.95
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(CC)(CC)CC3)S2)C1	REAL300013220732	1	48	-2.0	-134.62	376.04	9.06	-125.56
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N2	REAL300013220733	1	52	-2.0	-126.28	400.92	7.90	-118.38
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)=N2	REAL300013220734	1	54	-2.0	-126.72	412.24	6.64	-120.08
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013220735	1	50	-2.0	-133.12	398.13	8.75	-124.37
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013220736	1	50	-2.0	-125.99	393.82	8.14	-117.85
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])=N2	REAL300013220737	1	58	-2.0	-125.48	443.44	9.45	-116.03
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCO1)C(=O)[O-])=N2	REAL300013220738	1	54	-2.0	-132.81	418.16	7.04	-125.77
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N2	REAL300013220739	1	47	-2.0	-123.39	368.99	3.71	-119.68
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CSC)C(=O)[O-])=N2	REAL300013220740	1	47	-2.0	-124.98	385.69	7.01	-117.97
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@@H](COC)C(=O)[O-])=N2	REAL300013220741	1	47	-2.0	-126.85	374.07	4.83	-122.02
CC[C@H](NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220742	1	46	-2.0	-124.24	362.22	6.60	-117.64
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220743	1	55	-2.0	-127.53	419.24	8.56	-118.97
C=CCCCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220744	1	53	-2.0	-124.86	418.02	8.70	-116.16
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013220745	1	48	-2.0	-132.57	374.33	10.05	-122.52
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013220746	1	47	-2.0	-133.94	363.53	8.34	-125.60
CCCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220747	1	49	-2.0	-124.72	382.88	7.38	-117.34
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N2	REAL300013220748	1	49	-2.0	-125.41	377.33	7.20	-118.21
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])=N2	REAL300013220749	1	51	-2.0	-140.13	384.91	10.31	-129.82
CCN(C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(C)(C)C(=O)[O-]	REAL300013220750	1	52	-2.0	-130.45	388.77	9.60	-120.85
CCCN(C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(C)C(=O)[O-]	REAL300013220751	1	52	-2.0	-125.14	396.42	10.55	-114.59
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220752	1	49	-2.0	-125.18	383.72	7.37	-117.81
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])=N2	REAL300013220753	1	51	-2.0	-135.10	386.28	9.69	-125.41
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013220754	1	50	-2.0	-133.28	398.41	8.66	-124.62
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N2	REAL300013220755	1	49	-2.0	-129.26	369.50	8.77	-120.49
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013220756	1	47	-2.0	-133.98	363.64	8.33	-125.65
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220759	1	55	-2.0	-127.53	419.24	8.56	-118.97
C#CCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220760	1	45	-2.0	-124.12	368.48	7.00	-117.12
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N2	REAL300013220761	1	46	-2.0	-115.39	354.29	7.89	-107.50
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])=N2	REAL300013220762	1	53	-2.0	-125.86	414.07	8.52	-117.34
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])=N2	REAL300013220763	1	56	-2.0	-119.15	426.13	9.04	-110.11
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N2	REAL300013220764	1	55	-2.0	-119.08	413.60	10.42	-108.66
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=N1)=N2	REAL300013220765	1	49	-2.0	-136.46	394.76	7.08	-129.38
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1	REAL300013220766	1	56	-2.0	-136.16	417.15	10.98	-125.18
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CN=C1)=N2	REAL300013220768	1	49	-2.0	-129.15	393.04	6.95	-122.20
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCCC1(COC)C(=O)[O-])=N2	REAL300013220769	1	54	-2.0	-133.88	408.83	9.39	-124.49
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220770	1	50	-2.0	-124.84	396.53	7.92	-116.92
CC#CCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220771	1	48	-2.0	-126.20	390.31	7.96	-118.24
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CC(=O)N(C)CC1C(=O)[O-])=N2	REAL300013220772	1	51	-2.0	-127.66	390.32	7.75	-119.91
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCC[C@]1(C)C(=O)[O-])=N2	REAL300013220773	1	50	-2.0	-132.89	379.40	9.13	-123.76
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N2	REAL300013220774	1	49	-2.0	-125.93	374.91	6.93	-119.00
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013220775	1	50	-2.0	-133.31	398.34	8.68	-124.63
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N2	REAL300013220776	1	46	-2.0	-114.78	355.36	7.95	-106.83
CCC[C@H](NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220777	1	49	-2.0	-124.47	382.89	7.38	-117.09
CCN(C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(C)C(=O)[O-]	REAL300013220778	1	49	-2.0	-117.47	373.72	8.77	-108.70
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013220779	1	53	-2.0	-122.51	398.60	10.28	-112.23
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220780	1	52	-2.0	-126.96	392.73	7.61	-119.35
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1	REAL300013220781	1	49	-2.0	-115.61	375.30	8.92	-106.69
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(CO)C1)=N2	REAL300013220782	1	51	-2.0	-137.40	393.90	4.43	-132.97
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC(C)C1)=N2	REAL300013220783	1	53	-2.0	-133.26	397.40	8.32	-124.94
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1(C)C)=N2	REAL300013220784	1	56	-2.0	-136.18	406.18	8.91	-127.27
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CCOC)C(=O)[O-])=N2	REAL300013220785	1	50	-2.0	-122.48	395.89	5.65	-116.83
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C)(C)C1)=N2	REAL300013220786	1	53	-2.0	-134.43	399.78	8.95	-125.48
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1(C)CC1)=N2	REAL300013220787	1	50	-2.0	-128.90	383.67	7.94	-120.96
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])=N2	REAL300013220788	1	48	-2.0	-141.20	374.86	5.12	-136.08
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOC1)=N2	REAL300013220789	1	51	-2.0	-123.46	389.45	5.53	-117.93
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])=N2	REAL300013220790	1	51	-2.0	-137.05	384.92	9.75	-127.30
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])CO3)=N2	REAL300013220791	1	49	-2.0	-132.84	376.10	7.46	-125.38
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CC(C)CCC1C(=O)[O-])=N2	REAL300013220792	1	53	-2.0	-141.03	391.07	10.88	-130.15
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CC1)=N2	REAL300013220793	1	47	-2.0	-128.92	369.60	8.45	-120.47
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013220794	1	50	-2.0	-127.76	382.33	7.57	-120.19
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)=N2	REAL300013220795	1	56	-2.0	-129.30	420.88	9.06	-120.24
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013220796	1	50	-2.0	-127.76	382.33	7.57	-120.19
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCC(C)C1C(=O)[O-])=N2	REAL300013220797	1	50	-2.0	-136.33	380.44	8.72	-127.61
C=CCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220798	1	47	-2.0	-124.03	375.53	7.04	-116.99
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(OC)C1)=N2	REAL300013220799	1	51	-2.0	-128.85	394.93	6.13	-122.72
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(F)(F)C1)=N2	REAL300013220800	1	47	-2.0	-125.60	371.76	7.29	-118.31
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)=N2	REAL300013220801	1	51	-2.0	-134.99	395.28	6.52	-128.47
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1	REAL300013220802	1	53	-2.0	-135.23	393.27	10.10	-125.13
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2	REAL300013220803	1	46	-2.0	-118.39	377.31	7.33	-111.06
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])=N2	REAL300013220804	1	54	-2.0	-125.93	415.78	6.67	-119.26
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])COC1)=N2	REAL300013220805	1	45	-2.0	-123.46	354.17	4.29	-119.17
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N2	REAL300013220806	1	52	-2.0	-128.70	381.27	7.56	-121.14
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013220807	1	48	-2.0	-138.99	369.75	9.73	-129.26
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013220808	1	51	-2.0	-138.11	386.20	9.41	-128.70
C=CCSCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220809	1	51	-2.0	-125.42	419.28	8.50	-116.92
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1	REAL300013220810	1	52	-2.0	-127.19	391.23	10.32	-116.87
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1(OC)CCC1)=N2	REAL300013220811	1	54	-2.0	-126.47	408.07	6.48	-119.99
CCC1(CC)CCC2=C(C1)SC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300013220812	0	50	-2.0	-130.02	395.49	9.05	-120.97
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300013220812	1	49	-3.0	-211.64	392.22	7.85	-203.79
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013220813	1	47	-2.0	-127.65	369.27	8.70	-118.95
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1C3C=CC(C3)C1C(=O)[O-])=N2	REAL300013220814	1	49	-2.0	-129.38	378.09	9.51	-119.87
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C)C1C(=O)[O-])=N2	REAL300013220815	1	53	-2.0	-137.44	396.78	9.39	-128.05
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N2	REAL300013220816	1	55	-2.0	-125.58	422.78	8.65	-116.93
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CC3(CCC3)CC1C(=O)[O-])=N2	REAL300013220817	1	54	-2.0	-134.89	412.45	10.16	-124.73
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])=N2	REAL300013220818	1	54	-2.0	-125.93	415.78	6.67	-119.26
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-])=N2	REAL300013220819	1	51	-2.0	-129.78	407.02	9.60	-120.18
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N2	REAL300013220820	1	47	-2.0	-119.88	366.17	3.13	-116.75
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013220821	1	44	-2.0	-127.54	351.35	2.43	-125.11
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC3CC31)=N2	REAL300013220822	1	54	-2.0	-136.28	397.44	9.41	-126.87
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3CC31)=N2	REAL300013220823	1	51	-2.0	-133.73	385.85	8.27	-125.46
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3(CCC3)C1)=N2	REAL300013220824	1	54	-2.0	-135.73	412.02	9.13	-126.60
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCC1)=N2	REAL300013220825	1	53	-2.0	-128.95	398.39	8.18	-120.77
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N2	REAL300013220826	1	50	-2.0	-127.62	392.22	5.84	-121.78
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)=N2	REAL300013220827	1	50	-2.0	-133.62	381.31	8.08	-125.54
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CC(C)(C)CC1C(=O)[O-])=N2	REAL300013220828	1	53	-2.0	-133.09	403.09	9.45	-123.64
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCC(F)(F)C1C(=O)[O-])=N2	REAL300013220829	1	47	-2.0	-130.07	374.50	8.74	-121.33
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013220830	1	54	-2.0	-138.93	401.13	10.00	-128.93
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CCCOC)C(=O)[O-])=N2	REAL300013220831	1	53	-2.0	-125.89	417.39	6.43	-119.46
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1	REAL300013220832	1	52	-2.0	-117.25	396.21	9.81	-107.44
CCOCC(NC(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1)C(=O)[O-]	REAL300013220833	1	50	-2.0	-127.80	395.44	5.81	-121.99
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N2	REAL300013220834	1	55	-2.0	-127.06	412.98	8.99	-118.07
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCO1)=N2	REAL300013220835	1	54	-2.0	-131.32	410.95	6.75	-124.57
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])=N2	REAL300013220836	1	51	-2.0	-136.10	385.96	8.34	-127.76
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N2	REAL300013220837	1	47	-2.0	-117.73	383.06	7.09	-110.64
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CO1)=N2	REAL300013220838	1	50	-2.0	-124.77	402.92	9.85	-114.92
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N2	REAL300013220839	1	46	-2.0	-115.58	354.30	7.80	-107.78
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(CC)(CC)CC3)S2)C1	REAL300013220840	1	54	-2.0	-135.66	417.92	8.56	-127.10
CC1=CC=NC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C1CC1	REAL300013221094	0	41	-2.0	-130.64	340.71	8.41	-122.23
COCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221144	1	41	-2.0	-123.50	372.50	6.50	-117.00
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221145	1	44	-2.0	-112.64	395.22	8.57	-104.07
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221146	1	43	-2.0	-114.97	386.08	10.05	-104.92
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CC1	REAL300013221147	1	38	-2.0	-117.11	355.42	9.34	-107.77
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCOC1	REAL300013221148	1	39	-2.0	-120.05	355.76	5.36	-114.69
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221149	1	42	-2.0	-121.99	396.60	6.72	-115.27
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221150	1	42	-2.0	-137.90	370.48	7.74	-130.16
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221151	1	41	-2.0	-117.24	380.12	8.04	-109.20
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C(C(=O)[O-])C1	REAL300013221152	1	44	-2.0	-133.98	376.91	10.67	-123.31
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221153	1	40	-2.0	-118.61	364.28	7.43	-111.18
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221154	1	41	-2.0	-133.10	362.73	10.29	-122.81
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221155	1	39	-2.0	-125.59	362.80	10.33	-115.26
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCCCC1	REAL300013221156	1	44	-2.0	-126.05	379.64	9.05	-117.00
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221157	1	38	-2.0	-126.82	350.73	8.89	-117.93
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCCC1	REAL300013221158	1	41	-2.0	-124.97	365.12	7.95	-117.02
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221159	1	31	-2.0	-102.15	307.50	5.04	-97.11
CCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221160	1	37	-2.0	-117.71	349.88	6.94	-110.77
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221161	1	40	-2.0	-118.61	364.28	7.43	-111.18
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221162	1	34	-2.0	-114.62	328.35	8.00	-106.62
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221163	1	35	-2.0	-121.35	339.72	2.72	-118.63
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221164	1	35	-2.0	-121.35	339.72	2.72	-118.63
CC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221165	1	34	-2.0	-103.19	328.28	5.87	-97.32
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221166	1	43	-2.0	-120.64	380.77	7.86	-112.78
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221167	1	34	-2.0	-114.62	328.35	8.00	-106.62
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221168	1	41	-2.0	-133.10	362.73	10.29	-122.81
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221169	1	43	-2.0	-121.78	375.76	7.96	-113.82
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221170	1	40	-2.0	-116.58	360.39	9.33	-107.25
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CC1	REAL300013221171	1	38	-2.0	-117.11	355.42	9.34	-107.77
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221172	1	38	-2.0	-115.67	362.98	9.55	-106.12
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221173	1	43	-2.0	-114.97	386.08	10.05	-104.92
CC(C)(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221174	1	37	-2.0	-99.95	340.86	6.27	-93.68
CC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)(C(=O)[O-])C1CC1	REAL300013221175	1	41	-2.0	-123.49	364.36	7.91	-115.58
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCCCC1	REAL300013221176	1	44	-2.0	-126.05	379.64	9.05	-117.00
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221177	1	40	-2.0	-116.58	360.39	9.33	-107.25
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221178	1	40	-2.0	-115.45	371.66	9.76	-105.69
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221179	1	37	-2.0	-115.60	350.16	8.99	-106.61
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221180	1	35	-2.0	-121.78	339.72	2.71	-119.07
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221181	1	43	-2.0	-120.97	381.36	7.85	-113.12
CC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221182	1	34	-2.0	-103.19	328.28	5.87	-97.32
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCCC1	REAL300013221183	1	41	-2.0	-124.97	365.12	7.95	-117.02
CCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221184	1	40	-2.0	-120.45	354.26	7.22	-113.23
C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221185	1	34	-2.0	-103.37	328.29	5.87	-97.50
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221186	1	37	-2.0	-115.60	350.16	8.99	-106.61
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221187	1	39	-2.0	-128.72	362.71	5.23	-123.49
C[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221188	1	34	-2.0	-103.38	328.60	5.82	-97.56
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CC1	REAL300013221189	1	35	-2.0	-124.85	334.43	7.01	-117.84
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221190	1	39	-2.0	-126.79	353.84	7.90	-118.89
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CC1	REAL300013221191	1	38	-2.0	-120.72	356.51	7.38	-113.34
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221192	1	41	-2.0	-116.36	381.54	8.16	-108.20
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221193	1	38	-2.0	-126.88	351.48	8.63	-118.25
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221194	1	41	-2.0	-132.98	362.77	10.31	-122.67
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221195	1	39	-2.0	-125.55	361.99	5.50	-120.05
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221196	1	37	-2.0	-108.85	342.75	8.12	-100.73
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221197	1	38	-2.0	-126.84	350.70	8.90	-117.94
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCC1	REAL300013221198	1	38	-2.0	-125.12	351.27	7.54	-117.58
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221199	1	38	-2.0	-117.66	363.16	7.40	-110.26
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221200	1	41	-2.0	-126.20	367.87	9.45	-116.75
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221201	1	44	-2.0	-131.80	377.58	11.10	-120.70
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CC1	REAL300013221202	1	38	-2.0	-120.72	356.51	7.38	-113.34
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221203	1	37	-2.0	-108.90	342.75	8.12	-100.78
CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221204	1	43	-2.0	-118.37	392.88	8.49	-109.88
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221205	1	41	-2.0	-126.22	367.81	9.44	-116.78
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CCCC1	REAL300013221206	1	44	-2.0	-115.43	387.48	10.64	-104.79
COCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221207	1	38	-2.0	-120.46	361.84	5.16	-115.30
CCCCCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221208	1	46	-2.0	-118.62	414.62	9.21	-109.41
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221209	1	43	-2.0	-120.50	379.29	8.00	-112.50
CN(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1(C(=O)[O-])CCCC1	REAL300013221210	1	44	-2.0	-127.13	377.69	9.82	-117.31
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CC1	REAL300013221211	1	41	-2.0	-109.04	367.88	10.68	-98.36
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CC1	REAL300013221212	1	44	-2.0	-113.85	384.96	10.89	-102.96
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221213	1	40	-2.0	-115.45	371.66	9.76	-105.69
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CCC1	REAL300013221214	1	44	-2.0	-118.00	382.91	11.23	-106.77
CCCN(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(CC)C(=O)[O-]	REAL300013221215	1	46	-2.0	-111.46	398.53	10.71	-100.75
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221216	1	31	-2.0	-102.15	307.50	5.04	-97.11
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221217	1	43	-2.0	-119.93	388.53	8.30	-111.63
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCOCC1	REAL300013221218	1	42	-2.0	-121.10	371.06	6.55	-114.55
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221219	1	41	-2.0	-118.07	384.19	8.27	-109.80
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221220	1	34	-2.0	-102.47	331.90	5.89	-96.58
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221221	1	43	-2.0	-122.79	370.93	8.10	-114.69
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221222	1	44	-2.0	-125.84	389.17	7.40	-118.44
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221223	1	41	-2.0	-119.51	380.89	8.45	-111.06
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221224	1	41	-2.0	-116.20	383.79	5.95	-110.25
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221225	1	37	-2.0	-113.03	360.75	7.41	-105.62
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221226	1	37	-2.0	-112.88	356.71	7.02	-105.86
CC(CCF)(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221227	1	40	-2.0	-115.14	360.85	7.35	-107.79
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221228	1	37	-2.0	-109.17	342.75	8.12	-101.05
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221229	1	39	-2.0	-131.18	357.07	9.47	-121.71
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221230	1	43	-2.0	-120.50	379.29	8.00	-112.50
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221231	1	41	-2.0	-117.94	383.28	8.19	-109.75
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221232	1	42	-2.0	-130.83	370.61	10.22	-120.61
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221233	1	39	-2.0	-125.82	362.75	5.22	-120.60
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221234	1	38	-2.0	-121.45	357.19	8.99	-112.46
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C1	REAL300013221235	1	39	-2.0	-127.90	363.94	9.34	-118.56
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221236	1	43	-2.0	-119.93	388.53	8.30	-111.63
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221237	1	41	-2.0	-119.51	380.89	8.45	-111.06
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221238	1	38	-2.0	-117.73	356.87	3.99	-113.74
CSCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221239	1	38	-2.0	-118.46	373.82	7.23	-111.23
COC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221240	1	38	-2.0	-120.89	361.98	5.11	-115.78
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221241	1	37	-2.0	-118.23	350.12	6.89	-111.34
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221242	1	46	-2.0	-119.85	407.05	8.84	-111.01
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221243	1	44	-2.0	-118.27	405.69	9.05	-109.22
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221244	1	39	-2.0	-125.59	362.80	10.33	-115.26
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221245	1	38	-2.0	-126.88	351.48	8.63	-118.25
CCCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221246	1	40	-2.0	-118.16	371.38	7.71	-110.45
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221247	1	40	-2.0	-118.94	361.56	7.29	-111.65
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221248	1	42	-2.0	-133.80	373.43	10.56	-123.24
CCN(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(C)(C)C(=O)[O-]	REAL300013221249	1	43	-2.0	-123.09	375.88	9.91	-113.18
CCCN(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(C)C(=O)[O-]	REAL300013221250	1	43	-2.0	-110.60	381.37	9.85	-100.75
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221251	1	40	-2.0	-118.28	371.38	7.71	-110.57
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221252	1	42	-2.0	-126.68	374.82	9.92	-116.76
CN(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(C)(C)C(=O)[O-]	REAL300013221253	1	40	-2.0	-122.07	357.40	9.04	-113.03
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221254	1	38	-2.0	-126.84	350.70	8.90	-117.94
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221256	1	46	-2.0	-119.85	407.05	8.84	-111.01
C#CCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221257	1	36	-2.0	-117.63	356.39	7.30	-110.33
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221258	1	37	-2.0	-108.90	342.75	8.12	-100.78
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221259	1	44	-2.0	-120.00	402.49	8.77	-111.23
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221260	1	46	-2.0	-112.82	402.40	10.61	-102.21
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221262	1	41	-2.0	-118.07	384.19	8.27	-109.80
CC#CCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221263	1	39	-2.0	-119.38	377.97	8.31	-111.07
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221264	1	41	-2.0	-125.84	367.81	9.44	-116.40
CC(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221265	1	40	-2.0	-119.81	367.16	7.45	-112.36
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221266	1	37	-2.0	-109.17	342.75	8.12	-101.05
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221267	1	40	-2.0	-118.84	371.62	7.64	-111.20
CCN(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(C)C(=O)[O-]	REAL300013221268	1	40	-2.0	-109.87	359.43	8.92	-100.95
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CCCC1	REAL300013221269	1	44	-2.0	-115.43	387.48	10.64	-104.79
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221270	1	43	-2.0	-120.97	381.36	7.85	-113.12
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221271	1	40	-2.0	-110.56	362.62	9.32	-101.24
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CC(CO)C1	REAL300013221272	1	42	-2.0	-127.74	383.52	4.81	-122.93
CC1CCC(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)(C(=O)[O-])C1	REAL300013221273	1	44	-2.0	-126.40	385.16	8.55	-117.85
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221274	1	41	-2.0	-116.20	383.79	5.95	-110.25
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)(C(=O)[O-])C1	REAL300013221275	1	44	-2.0	-126.98	387.67	9.24	-117.74
CC1(C(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C(=O)[O-])CC1	REAL300013221276	1	41	-2.0	-121.81	378.85	8.01	-113.80
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221277	1	39	-2.0	-133.87	362.76	5.40	-128.47
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CCOC1	REAL300013221278	1	42	-2.0	-115.77	380.21	5.91	-109.86
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221279	1	42	-2.0	-130.58	372.80	10.03	-120.55
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(CC3=CC(F)=CC(F)=C3)S1)C2	REAL300013221280	1	40	-2.0	-126.39	364.57	7.68	-118.71
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C1	REAL300013221281	1	44	-2.0	-133.66	383.56	10.87	-122.79
CN(C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1(C(=O)[O-])CC1	REAL300013221282	1	38	-2.0	-118.90	356.74	8.66	-110.24
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CCC1	REAL300013221283	1	41	-2.0	-121.81	370.77	7.78	-114.03
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CCC1	REAL300013221284	1	41	-2.0	-121.81	370.77	7.78	-114.03
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C1C(=O)[O-]	REAL300013221285	1	41	-2.0	-127.77	364.46	9.44	-118.33
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221286	1	38	-2.0	-117.66	363.16	7.40	-110.26
COC1CC(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)(C(=O)[O-])C1	REAL300013221287	1	42	-2.0	-122.20	382.83	6.41	-115.79
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)(C(=O)[O-])C1	REAL300013221288	1	42	-2.0	-122.17	382.87	6.41	-115.76
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221289	1	44	-2.0	-128.52	381.09	10.66	-117.86
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)COC1	REAL300013221290	1	36	-2.0	-116.68	342.07	4.57	-112.11
CC(C)C(C)(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221291	1	43	-2.0	-122.31	370.98	7.88	-114.43
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221292	1	39	-2.0	-131.99	358.03	10.07	-121.92
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221293	1	42	-2.0	-130.66	373.83	9.51	-121.15
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221294	1	43	-2.0	-110.66	376.87	9.99	-100.67
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221295	1	38	-2.0	-121.45	357.19	8.99	-112.46
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221296	1	40	-2.0	-122.54	366.56	9.73	-112.81
CC1(C)CCN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C1C(=O)[O-]	REAL300013221297	1	44	-2.0	-130.01	384.68	9.67	-120.34
CC(C)CCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221298	1	46	-2.0	-118.99	410.68	8.95	-110.04
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221299	1	38	-2.0	-114.29	356.03	3.52	-110.77
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221300	1	35	-2.0	-121.78	339.72	2.71	-119.07
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCC2CC21	REAL300013221301	1	42	-2.0	-127.68	372.61	8.78	-118.90
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C1CCCC1	REAL300013221302	1	44	-2.0	-121.88	386.28	8.46	-113.42
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221303	1	41	-2.0	-121.47	379.62	6.11	-115.36
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221304	1	41	-2.0	-125.43	364.24	8.07	-117.36
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C1	REAL300013221305	1	44	-2.0	-124.67	390.97	9.74	-114.93
COCCCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221306	1	44	-2.0	-119.28	405.29	6.72	-112.56
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221307	1	43	-2.0	-110.65	384.69	9.98	-100.67
CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221308	1	41	-2.0	-121.21	383.83	6.10	-115.11
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221309	1	46	-2.0	-120.07	400.94	9.28	-110.79
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)[C@@H]1C(=O)[O-]	REAL300013221310	1	42	-2.0	-128.87	373.81	8.47	-120.40
N#CCCC(NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221311	1	38	-2.0	-111.84	370.97	7.39	-104.45
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013221312	1	37	-2.0	-108.85	342.75	8.12	-100.73
COCC(C)(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221313	1	41	-2.0	-128.97	370.30	6.41	-122.56
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221314	1	44	-2.0	-117.40	393.02	8.49	-108.91
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221315	1	43	-2.0	-119.36	383.87	9.97	-109.39
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CC1	REAL300013221316	1	38	-2.0	-122.17	353.21	9.25	-112.92
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCOC1	REAL300013221317	1	39	-2.0	-124.57	353.56	5.27	-119.30
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221318	1	42	-2.0	-127.01	394.53	6.58	-120.43
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221319	1	42	-2.0	-143.21	368.28	7.65	-135.56
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221320	1	41	-2.0	-122.96	379.44	7.93	-115.03
CC1CCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C(C(=O)[O-])C1	REAL300013221321	1	44	-2.0	-139.59	374.71	10.59	-129.00
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221322	1	40	-2.0	-123.65	363.05	7.40	-116.25
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221323	1	41	-2.0	-138.32	360.36	10.25	-128.07
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221324	1	39	-2.0	-130.63	360.59	10.25	-120.38
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCCCC1	REAL300013221325	1	44	-2.0	-130.67	377.43	8.96	-121.71
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221326	1	38	-2.0	-131.25	348.53	8.81	-122.44
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCCC1	REAL300013221327	1	41	-2.0	-130.65	362.92	7.87	-122.78
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221328	1	31	-2.0	-106.06	305.30	4.96	-101.10
CCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221329	1	37	-2.0	-122.68	347.67	6.86	-115.82
CC(C)C(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221330	1	40	-2.0	-123.65	363.05	7.40	-116.25
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221331	1	34	-2.0	-119.55	326.15	7.92	-111.63
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221332	1	35	-2.0	-126.34	337.38	2.68	-123.66
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221333	1	35	-2.0	-126.34	337.38	2.68	-123.66
CC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221334	1	34	-2.0	-107.58	326.39	5.74	-101.84
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221335	1	43	-2.0	-125.45	377.85	7.83	-117.62
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221336	1	34	-2.0	-119.55	326.15	7.92	-111.63
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221337	1	41	-2.0	-138.32	360.36	10.25	-128.07
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221338	1	43	-2.0	-126.31	373.55	7.88	-118.43
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221339	1	40	-2.0	-121.73	358.19	9.24	-112.49
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CC1	REAL300013221340	1	38	-2.0	-122.17	353.21	9.25	-112.92
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221341	1	38	-2.0	-119.83	360.77	9.47	-110.36
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221342	1	43	-2.0	-119.36	383.87	9.97	-109.39
CC(C)(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221343	1	37	-2.0	-104.08	338.66	6.18	-97.90
CC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)(C(=O)[O-])C1CC1	REAL300013221344	1	41	-2.0	-128.87	364.77	7.95	-120.92
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCCCC1	REAL300013221345	1	44	-2.0	-130.67	377.43	8.96	-121.71
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221346	1	40	-2.0	-121.73	358.19	9.24	-112.49
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221347	1	40	-2.0	-119.62	369.46	9.67	-109.95
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221348	1	37	-2.0	-120.71	347.96	8.90	-111.81
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221349	1	35	-2.0	-125.67	337.54	2.63	-123.04
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221350	1	43	-2.0	-124.93	379.15	7.77	-117.16
CC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221351	1	34	-2.0	-107.58	326.39	5.74	-101.84
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCCC1	REAL300013221352	1	41	-2.0	-130.65	362.92	7.87	-122.78
CCC(C)(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221353	1	40	-2.0	-125.96	352.05	7.12	-118.84
C[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221354	1	34	-2.0	-107.34	326.40	5.74	-101.60
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221355	1	37	-2.0	-120.71	347.96	8.90	-111.81
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221356	1	39	-2.0	-132.32	359.79	5.42	-126.90
C[C@@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221357	1	34	-2.0	-107.33	326.08	5.78	-101.55
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CC1	REAL300013221358	1	35	-2.0	-130.18	332.23	6.94	-123.24
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221359	1	39	-2.0	-131.85	351.68	7.82	-124.03
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CC1	REAL300013221360	1	38	-2.0	-125.80	354.33	7.29	-118.51
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221361	1	41	-2.0	-120.49	379.33	8.08	-112.41
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221362	1	38	-2.0	-132.21	349.28	8.54	-123.67
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221363	1	41	-2.0	-138.51	360.57	10.23	-128.28
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221364	1	39	-2.0	-129.76	359.76	5.44	-124.32
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221365	1	37	-2.0	-114.12	340.01	8.00	-106.12
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221366	1	38	-2.0	-131.20	348.50	8.82	-122.38
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCC1	REAL300013221367	1	38	-2.0	-130.63	349.07	7.45	-123.18
C=CCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221368	1	38	-2.0	-122.73	360.95	7.31	-115.42
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221369	1	41	-2.0	-130.75	365.67	9.37	-121.38
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221370	1	44	-2.0	-137.35	375.53	10.86	-126.49
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CC1	REAL300013221371	1	38	-2.0	-125.80	354.33	7.29	-118.51
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221372	1	37	-2.0	-113.41	340.55	8.04	-105.37
CCCCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221373	1	43	-2.0	-123.62	390.91	8.35	-115.27
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221374	1	41	-2.0	-130.72	365.60	9.36	-121.36
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CCCC1	REAL300013221375	1	44	-2.0	-121.11	385.27	10.56	-110.55
COCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221376	1	38	-2.0	-125.42	359.77	5.03	-120.39
CCCCCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221377	1	46	-2.0	-123.54	412.17	9.18	-114.36
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221378	1	43	-2.0	-124.55	377.08	7.91	-116.64
CN(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1(C(=O)[O-])CCCC1	REAL300013221379	1	44	-2.0	-131.69	375.48	9.74	-121.95
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CC1	REAL300013221380	1	41	-2.0	-113.88	365.68	10.60	-103.28
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CC1	REAL300013221381	1	44	-2.0	-117.79	382.74	10.82	-106.97
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221382	1	40	-2.0	-119.62	369.46	9.67	-109.95
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CCC1	REAL300013221383	1	44	-2.0	-124.66	380.70	11.15	-113.51
CCCN(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(CC)C(=O)[O-]	REAL300013221384	1	46	-2.0	-115.20	396.19	10.71	-104.49
O=C([O-])CNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221385	1	31	-2.0	-106.06	305.30	4.96	-101.10
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221386	1	43	-2.0	-124.02	386.37	8.16	-115.86
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCOCC1	REAL300013221387	1	42	-2.0	-126.73	368.88	6.47	-120.26
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221388	1	41	-2.0	-123.26	382.23	8.13	-115.13
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221389	1	34	-2.0	-107.01	330.01	5.78	-101.23
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221390	1	43	-2.0	-128.11	368.44	8.02	-120.09
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221391	1	44	-2.0	-130.47	386.97	7.31	-123.16
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221392	1	41	-2.0	-124.30	380.04	8.22	-116.08
COCCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221393	1	41	-2.0	-121.13	381.35	5.92	-115.21
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221394	1	37	-2.0	-117.51	360.02	7.14	-110.37
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221395	1	37	-2.0	-117.74	354.27	7.00	-110.74
CC(CCF)(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221396	1	40	-2.0	-120.65	358.64	7.27	-113.38
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221397	1	37	-2.0	-113.03	341.06	8.15	-104.88
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221398	1	39	-2.0	-136.35	354.86	9.40	-126.95
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221399	1	43	-2.0	-124.55	377.08	7.91	-116.64
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221400	1	41	-2.0	-122.98	381.07	8.11	-114.87
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221401	1	42	-2.0	-136.02	368.41	10.13	-125.89
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221402	1	39	-2.0	-131.20	360.57	5.14	-126.06
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221403	1	38	-2.0	-125.55	354.98	8.90	-116.65
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013221404	1	39	-2.0	-132.23	361.74	9.26	-122.97
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221405	1	43	-2.0	-124.02	386.37	8.16	-115.86
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221406	1	41	-2.0	-124.30	380.04	8.22	-116.08
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221407	1	38	-2.0	-121.74	354.20	3.90	-117.84
CSCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221408	1	38	-2.0	-123.29	371.37	7.21	-116.08
COC[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221409	1	38	-2.0	-124.72	359.79	5.03	-119.69
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221410	1	37	-2.0	-122.16	347.93	6.80	-115.36
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221411	1	46	-2.0	-125.00	404.85	8.76	-116.24
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221412	1	44	-2.0	-123.49	403.72	8.91	-114.58
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221413	1	39	-2.0	-130.63	360.59	10.25	-120.38
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221414	1	38	-2.0	-132.21	349.28	8.54	-123.67
CCCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221415	1	40	-2.0	-123.30	369.17	7.62	-115.68
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221416	1	40	-2.0	-124.34	360.02	7.12	-117.22
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221417	1	42	-2.0	-138.76	371.22	10.47	-128.29
CCN(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(C)(C)C(=O)[O-]	REAL300013221418	1	43	-2.0	-128.94	373.69	9.82	-119.12
CCCN(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(C)C(=O)[O-]	REAL300013221419	1	43	-2.0	-114.60	379.19	9.77	-104.83
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221420	1	40	-2.0	-123.34	369.17	7.62	-115.72
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221421	1	42	-2.0	-132.82	372.62	9.84	-122.98
CN(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(C)(C)C(=O)[O-]	REAL300013221422	1	40	-2.0	-127.70	355.19	8.95	-118.75
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221423	1	38	-2.0	-131.20	348.50	8.82	-122.38
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221425	1	46	-2.0	-125.00	404.85	8.76	-116.24
C#CCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221426	1	36	-2.0	-122.63	354.18	7.21	-115.42
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221427	1	37	-2.0	-113.41	340.55	8.04	-105.37
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221428	1	44	-2.0	-125.08	400.56	8.71	-116.37
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221429	1	46	-2.0	-117.76	400.20	10.53	-107.23
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221431	1	41	-2.0	-123.26	382.23	8.13	-115.13
CC#CCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221432	1	39	-2.0	-124.63	376.01	8.16	-116.47
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221433	1	41	-2.0	-131.53	365.60	9.36	-122.17
CC(C)[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221434	1	40	-2.0	-123.04	363.04	7.40	-115.64
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221435	1	37	-2.0	-113.03	341.06	8.15	-104.88
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221436	1	40	-2.0	-122.72	369.41	7.56	-115.16
CCN(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(C)C(=O)[O-]	REAL300013221437	1	40	-2.0	-114.74	357.73	8.94	-105.80
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CCCC1	REAL300013221438	1	44	-2.0	-121.11	385.27	10.56	-110.55
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221439	1	43	-2.0	-124.93	379.15	7.77	-117.16
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221440	1	40	-2.0	-114.51	360.43	9.24	-105.27
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CC(CO)C1	REAL300013221441	1	42	-2.0	-133.28	381.32	4.73	-128.55
CC1CCC(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)(C(=O)[O-])C1	REAL300013221442	1	44	-2.0	-132.14	382.96	8.47	-123.67
COCCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221443	1	41	-2.0	-121.13	381.35	5.92	-115.21
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)(C(=O)[O-])C1	REAL300013221444	1	44	-2.0	-132.73	385.47	9.15	-123.58
CC1(C(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C(=O)[O-])CC1	REAL300013221445	1	41	-2.0	-125.85	376.65	7.92	-117.93
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221446	1	39	-2.0	-139.07	359.19	5.34	-133.73
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CCOC1	REAL300013221447	1	42	-2.0	-121.24	382.45	5.93	-115.31
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221448	1	42	-2.0	-135.48	370.66	9.93	-125.55
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(CC3=C(F)C=CC=C3F)S1)C2	REAL300013221449	1	40	-2.0	-131.27	362.36	7.60	-123.67
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013221450	1	44	-2.0	-138.85	381.36	10.78	-128.07
CN(C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1(C(=O)[O-])CC1	REAL300013221451	1	38	-2.0	-126.87	355.54	8.67	-118.20
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CCC1	REAL300013221452	1	41	-2.0	-125.72	372.78	7.85	-117.87
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CCC1	REAL300013221453	1	41	-2.0	-125.72	372.78	7.85	-117.87
CC1CCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1C(=O)[O-]	REAL300013221454	1	41	-2.0	-134.87	371.22	9.02	-125.85
C=CCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221455	1	38	-2.0	-122.73	360.95	7.31	-115.42
COC1CC(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)(C(=O)[O-])C1	REAL300013221456	1	42	-2.0	-126.84	380.63	6.33	-120.51
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)(C(=O)[O-])C1	REAL300013221457	1	42	-2.0	-126.85	380.67	6.33	-120.52
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221458	1	44	-2.0	-133.19	378.89	10.57	-122.62
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)COC1	REAL300013221459	1	36	-2.0	-121.86	339.86	4.49	-117.37
CC(C)C(C)(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221460	1	43	-2.0	-127.51	368.79	7.82	-119.69
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221461	1	39	-2.0	-137.28	355.83	9.99	-127.29
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221462	1	42	-2.0	-136.25	371.67	9.59	-126.66
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221463	1	43	-2.0	-115.61	374.74	9.90	-105.71
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221464	1	38	-2.0	-125.55	354.98	8.90	-116.65
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221465	1	40	-2.0	-127.11	364.35	9.64	-117.47
CC1(C)CCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1C(=O)[O-]	REAL300013221466	1	44	-2.0	-135.54	382.48	9.59	-125.95
CC(C)CCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221467	1	46	-2.0	-124.11	408.48	8.86	-115.25
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221468	1	38	-2.0	-127.34	357.88	3.55	-123.79
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221469	1	35	-2.0	-125.67	337.54	2.63	-123.04
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCC2CC21	REAL300013221470	1	42	-2.0	-132.09	371.55	8.47	-123.62
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CCCC1	REAL300013221471	1	44	-2.0	-127.13	384.08	8.38	-118.75
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221472	1	41	-2.0	-125.46	377.92	6.04	-119.42
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221473	1	41	-2.0	-130.99	362.06	7.98	-123.01
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013221474	1	44	-2.0	-130.71	388.76	9.66	-121.05
COCCCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221475	1	44	-2.0	-124.26	403.08	6.64	-117.62
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221476	1	43	-2.0	-115.42	383.00	10.00	-105.42
CCOCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221477	1	41	-2.0	-126.27	381.63	6.00	-120.27
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221478	1	46	-2.0	-125.17	398.49	9.27	-115.90
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)[C@@H]1C(=O)[O-]	REAL300013221479	1	42	-2.0	-133.81	371.67	8.40	-125.41
N#CCCC(NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221480	1	38	-2.0	-116.76	368.53	7.36	-109.40
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013221481	1	37	-2.0	-114.12	340.01	8.00	-106.12
COCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221796	1	45	-2.0	-128.99	389.18	5.67	-123.32
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300013221797	1	48	-2.0	-116.96	411.30	7.64	-109.32
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S2)=C1	REAL300013221798	1	47	-2.0	-119.09	402.76	9.21	-109.88
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CC3)S2)=C1	REAL300013221799	1	42	-2.0	-122.09	372.10	8.50	-113.59
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCOC3)S2)=C1	REAL300013221800	1	43	-2.0	-125.10	372.45	4.52	-120.58
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221801	1	46	-2.0	-126.90	413.41	5.84	-121.06
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC(O)C3C(=O)[O-])S2)=C1	REAL300013221802	1	46	-2.0	-143.80	390.19	6.12	-137.68
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221803	1	45	-2.0	-122.28	396.82	7.21	-115.07
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)CC3C(=O)[O-])S2)=C1	REAL300013221804	1	48	-2.0	-139.50	400.32	10.08	-129.42
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S2)=C1	REAL300013221805	1	44	-2.0	-124.37	379.49	6.37	-118.00
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCCC3C(=O)[O-])S2)=C1	REAL300013221806	1	45	-2.0	-138.91	379.40	9.45	-129.46
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCSCC3C(=O)[O-])S2)=C1	REAL300013221807	1	43	-2.0	-131.39	379.48	9.50	-121.89
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCCC3)S2)=C1	REAL300013221808	1	48	-2.0	-131.29	396.31	8.21	-123.08
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC3C(=O)[O-])S2)=C1	REAL300013221809	1	42	-2.0	-131.96	367.41	8.05	-123.91
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCC3)S2)=C1	REAL300013221810	1	45	-2.0	-130.61	381.81	7.11	-123.50
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(=O)[O-])S2)=C1	REAL300013221811	1	35	-2.0	-106.19	324.18	4.21	-101.98
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013221812	1	45	-2.0	-131.41	402.98	8.11	-123.30
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013221813	1	45	-2.0	-131.47	402.98	8.12	-123.35
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221814	1	41	-2.0	-122.65	366.56	6.10	-116.55
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S2)=C1	REAL300013221815	1	44	-2.0	-124.37	379.49	6.37	-118.00
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)CC(=O)[O-])S2)=C1	REAL300013221816	1	38	-2.0	-119.39	345.04	7.17	-112.22
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CO)C(=O)[O-])S2)=C1	REAL300013221817	1	39	-2.0	-126.25	356.27	1.92	-124.33
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CO)C(=O)[O-])S2)=C1	REAL300013221818	1	39	-2.0	-126.25	356.27	1.92	-124.33
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)C(=O)[O-])S2)=C1	REAL300013221819	1	38	-2.0	-107.56	345.28	4.98	-102.58
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221820	1	47	-2.0	-125.61	397.45	7.02	-118.59
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)CC(=O)[O-])S2)=C1	REAL300013221821	1	38	-2.0	-119.39	345.04	7.17	-112.22
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCCC3C(=O)[O-])S2)=C1	REAL300013221822	1	45	-2.0	-138.91	379.40	9.45	-129.46
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221823	1	47	-2.0	-126.94	392.44	7.13	-119.81
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S2)=C1	REAL300013221824	1	44	-2.0	-121.57	377.08	8.49	-113.08
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CC3)S2)=C1	REAL300013221825	1	42	-2.0	-122.09	372.10	8.50	-113.59
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300013221826	1	42	-2.0	-119.62	379.66	8.71	-110.91
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S2)=C1	REAL300013221827	1	47	-2.0	-119.09	402.76	9.21	-109.88
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(C)C(=O)[O-])S2)=C1	REAL300013221828	1	41	-2.0	-103.92	357.54	5.43	-98.49
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C3CC3)S2)=C1	REAL300013221829	1	45	-2.0	-128.61	381.04	7.08	-121.53
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCCC3)S2)=C1	REAL300013221830	1	48	-2.0	-131.29	396.31	8.21	-123.08
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S2)=C1	REAL300013221831	1	44	-2.0	-121.57	377.08	8.49	-113.08
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300013221832	1	44	-2.0	-119.43	388.35	8.91	-110.52
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300013221833	1	41	-2.0	-120.56	366.85	8.15	-112.41
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S2)=C1	REAL300013221834	1	39	-2.0	-126.29	356.41	1.88	-124.41
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221835	1	47	-2.0	-125.68	398.04	7.01	-118.67
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)C(=O)[O-])S2)=C1	REAL300013221836	1	38	-2.0	-107.56	345.28	4.98	-102.58
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCC3)S2)=C1	REAL300013221837	1	45	-2.0	-130.61	381.81	7.11	-123.50
CCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221838	1	44	-2.0	-125.85	370.94	6.37	-119.48
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](C)C(=O)[O-])S2)=C1	REAL300013221839	1	38	-2.0	-107.60	345.28	4.98	-102.62
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300013221840	1	41	-2.0	-120.56	366.85	8.15	-112.41
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])S2)=C1	REAL300013221841	1	43	-2.0	-131.95	378.67	4.67	-127.28
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C)C(=O)[O-])S2)=C1	REAL300013221842	1	38	-2.0	-107.52	345.28	4.98	-102.54
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC3)S2)=C1	REAL300013221843	1	39	-2.0	-130.46	351.12	6.18	-124.28
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCOCC3C(=O)[O-])S2)=C1	REAL300013221844	1	43	-2.0	-132.33	370.52	7.06	-125.27
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CC3)S2)=C1	REAL300013221845	1	42	-2.0	-125.70	373.19	6.54	-119.16
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300013221846	1	45	-2.0	-120.24	398.22	7.33	-112.91
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@@H]3C(=O)[O-])S2)=C1	REAL300013221847	1	42	-2.0	-132.23	368.16	7.79	-124.44
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC[C@@H]3C(=O)[O-])S2)=C1	REAL300013221848	1	45	-2.0	-138.84	379.45	9.46	-129.38
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])S2)=C1	REAL300013221849	1	43	-2.0	-131.05	379.39	4.40	-126.65
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S2)=C1	REAL300013221850	1	41	-2.0	-113.44	359.94	7.39	-106.05
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@H]3C(=O)[O-])S2)=C1	REAL300013221851	1	42	-2.0	-130.85	367.39	8.06	-122.79
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCC3)S2)=C1	REAL300013221852	1	42	-2.0	-130.70	367.95	6.70	-124.00
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221853	1	42	-2.0	-122.65	379.84	6.56	-116.09
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC3(C)C(=O)[O-])S2)=C1	REAL300013221854	1	45	-2.0	-131.40	384.55	8.62	-122.78
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCCCC3C(=O)[O-])S2)=C1	REAL300013221855	1	48	-2.0	-137.31	394.42	10.11	-127.20
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CC3)S2)=C1	REAL300013221856	1	42	-2.0	-125.70	373.19	6.54	-119.16
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C(C)C(=O)[O-])S2)=C1	REAL300013221857	1	41	-2.0	-113.43	359.94	7.39	-106.04
CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221858	1	47	-2.0	-123.52	409.80	7.59	-115.93
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@@]3(C)C(=O)[O-])S2)=C1	REAL300013221859	1	45	-2.0	-130.42	384.47	8.60	-121.82
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CCCC3)S2)=C1	REAL300013221860	1	48	-2.0	-120.02	403.18	9.72	-110.30
COCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221861	1	42	-2.0	-125.41	378.52	4.33	-121.08
CCCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221862	1	50	-2.0	-123.49	431.06	8.43	-115.06
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S2)=C1	REAL300013221863	1	47	-2.0	-125.37	395.97	7.16	-118.21
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C3(C(=O)[O-])CCCC3)S2)=C1	REAL300013221864	1	48	-2.0	-132.20	394.37	8.98	-123.22
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C(C)C(=O)[O-])C3CC3)S2)=C1	REAL300013221865	1	45	-2.0	-113.76	384.56	9.85	-103.91
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C1CC1	REAL300013221866	1	48	-2.0	-118.09	401.35	9.90	-108.19
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300013221867	1	44	-2.0	-119.43	388.35	8.91	-110.52
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C(C)C(=O)[O-])C3CCC3)S2)=C1	REAL300013221868	1	48	-2.0	-112.26	400.85	9.30	-102.96
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(CC)C(=O)[O-]	REAL300013221869	1	50	-2.0	-115.13	415.08	9.96	-105.17
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(=O)[O-])S2)=C1	REAL300013221870	1	35	-2.0	-106.19	324.18	4.21	-101.98
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S2)=C1	REAL300013221871	1	47	-2.0	-124.64	405.26	7.41	-117.23
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCOCC3)S2)=C1	REAL300013221872	1	46	-2.0	-126.46	387.74	5.72	-120.74
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221873	1	45	-2.0	-123.08	400.87	7.43	-115.65
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CF)C(=O)[O-])S2)=C1	REAL300013221874	1	38	-2.0	-106.81	348.58	5.05	-101.76
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221875	1	47	-2.0	-128.02	387.61	7.25	-120.77
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221876	1	48	-2.0	-131.04	405.85	6.56	-124.48
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3CC3)C(=O)[O-])S2)=C1	REAL300013221877	1	45	-2.0	-124.20	397.58	7.61	-116.59
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221878	1	45	-2.0	-121.00	400.23	5.17	-115.83
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S2)=C1	REAL300013221879	1	41	-2.0	-117.74	377.19	6.63	-111.11
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CCF)C(=O)[O-])S2)=C1	REAL300013221880	1	41	-2.0	-117.66	373.39	6.19	-111.47
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S2)=C1	REAL300013221881	1	44	-2.0	-120.41	377.52	6.51	-113.90
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S2)=C1	REAL300013221882	1	41	-2.0	-113.98	358.87	7.34	-106.64
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC4CC3(C(=O)[O-])C4)S2)=C1	REAL300013221883	1	43	-2.0	-136.80	373.75	8.63	-128.17
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S2)=C1	REAL300013221884	1	47	-2.0	-125.37	395.97	7.16	-118.21
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221885	1	42	-2.0	-120.38	395.05	7.23	-113.15
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221886	1	45	-2.0	-122.95	397.57	7.52	-115.43
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3C4CCC3(C(=O)[O-])CC4)S2)=C1	REAL300013221887	1	46	-2.0	-136.46	387.29	9.38	-127.08
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])S2)=C1	REAL300013221888	1	43	-2.0	-131.14	379.43	4.39	-126.75
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])S2)=C1	REAL300013221889	1	42	-2.0	-121.28	380.36	8.22	-113.06
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])S2)=C1	REAL300013221890	1	42	-2.0	-125.38	373.87	8.15	-117.23
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC(OC)=C3)S2)C1	REAL300013221891	1	43	-2.0	-133.10	380.62	8.50	-124.60
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S2)=C1	REAL300013221892	1	47	-2.0	-124.64	405.26	7.41	-117.23
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013221893	1	45	-2.0	-131.47	402.98	8.12	-123.35
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3CC3)C(=O)[O-])S2)=C1	REAL300013221894	1	45	-2.0	-124.20	397.58	7.61	-116.59
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)S2)=C1	REAL300013221895	1	42	-2.0	-122.28	373.55	3.15	-119.13
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CSC)C(=O)[O-])S2)=C1	REAL300013221896	1	42	-2.0	-123.44	390.50	6.39	-117.05
COC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221897	1	42	-2.0	-125.40	378.66	4.28	-121.12
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221898	1	41	-2.0	-122.81	366.80	6.05	-116.76
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221899	1	50	-2.0	-124.73	423.49	8.06	-116.67
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221900	1	48	-2.0	-123.37	422.61	8.16	-115.21
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCSCC3C(=O)[O-])S2)=C1	REAL300013221901	1	43	-2.0	-131.39	379.48	9.50	-121.89
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@@H]3C(=O)[O-])S2)=C1	REAL300013221902	1	42	-2.0	-132.23	368.16	7.79	-124.44
CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221903	1	44	-2.0	-123.30	388.30	6.81	-116.49
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)S2)=C1	REAL300013221904	1	44	-2.0	-124.34	383.84	6.61	-117.73
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])S2)=C1	REAL300013221905	1	46	-2.0	-137.95	389.32	9.77	-128.18
CCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(C)(C)C(=O)[O-]	REAL300013221906	1	47	-2.0	-128.72	392.58	9.07	-119.65
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(C)C(=O)[O-]	REAL300013221907	1	47	-2.0	-114.56	398.08	9.02	-105.54
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221908	1	44	-2.0	-123.32	388.30	6.80	-116.52
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])S2)=C1	REAL300013221909	1	46	-2.0	-131.44	391.50	9.08	-122.36
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013221910	1	45	-2.0	-131.41	402.98	8.11	-123.30
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C(C)(C)C(=O)[O-])S2)=C1	REAL300013221911	1	44	-2.0	-127.53	374.08	8.20	-119.33
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@H]3C(=O)[O-])S2)=C1	REAL300013221912	1	42	-2.0	-130.85	367.39	8.06	-122.79
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221914	1	50	-2.0	-124.73	423.49	8.06	-116.67
C#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221915	1	40	-2.0	-122.52	372.83	6.52	-116.00
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C(C)C(=O)[O-])S2)=C1	REAL300013221916	1	41	-2.0	-113.43	359.94	7.39	-106.04
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])S2)=C1	REAL300013221917	1	48	-2.0	-125.07	419.30	7.95	-117.12
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])S2)=C1	REAL300013221918	1	50	-2.0	-115.50	418.24	9.82	-105.68
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=N3)S2)=C1	REAL300013221919	1	44	-2.0	-134.08	399.10	6.61	-127.47
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CN=C3)S2)=C1	REAL300013221921	1	44	-2.0	-127.27	397.62	6.40	-120.87
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221922	1	45	-2.0	-123.08	400.87	7.43	-115.65
CC#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221923	1	43	-2.0	-124.49	394.66	7.47	-117.02
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@]3(C)C(=O)[O-])S2)=C1	REAL300013221924	1	45	-2.0	-130.50	384.48	8.61	-121.89
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)S2)=C1	REAL300013221925	1	44	-2.0	-123.30	380.98	6.59	-116.71
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013221926	1	45	-2.0	-131.47	402.93	8.12	-123.35
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S2)=C1	REAL300013221927	1	41	-2.0	-113.98	358.87	7.34	-106.64
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221928	1	44	-2.0	-123.24	387.47	6.83	-116.41
CCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(C)C(=O)[O-]	REAL300013221929	1	44	-2.0	-114.50	376.11	8.08	-106.42
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CCCC3)S2)=C1	REAL300013221930	1	48	-2.0	-120.02	403.18	9.72	-110.30
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221931	1	47	-2.0	-125.68	398.04	7.01	-118.67
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300013221932	1	44	-2.0	-114.91	379.34	8.33	-106.58
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC(CO)C3)S2)=C1	REAL300013221933	1	46	-2.0	-133.26	400.21	3.98	-129.28
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCC(C)C3)S2)=C1	REAL300013221934	1	48	-2.0	-132.00	401.84	7.71	-124.29
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221935	1	45	-2.0	-121.00	400.23	5.17	-115.83
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC(C)(C)C3)S2)=C1	REAL300013221936	1	48	-2.0	-132.66	404.35	8.40	-124.26
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3(C)CC3)S2)=C1	REAL300013221937	1	45	-2.0	-126.86	395.59	7.13	-119.73
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])S2)=C1	REAL300013221938	1	43	-2.0	-138.08	378.08	4.58	-133.50
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCOC3)S2)=C1	REAL300013221939	1	46	-2.0	-121.77	393.97	5.05	-116.72
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])S2)=C1	REAL300013221940	1	46	-2.0	-134.64	389.46	9.18	-125.46
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC4CC3(C(=O)[O-])CO4)S2)=C1	REAL300013221941	1	44	-2.0	-131.87	381.24	6.84	-125.03
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(C)CCC3C(=O)[O-])S2)=C1	REAL300013221942	1	48	-2.0	-139.54	400.25	10.03	-129.51
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C3(C(=O)[O-])CC3)S2)=C1	REAL300013221943	1	42	-2.0	-127.61	374.42	7.91	-119.70
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCC3)S2)=C1	REAL300013221944	1	45	-2.0	-125.65	391.67	7.09	-118.56
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCC3)S2)=C1	REAL300013221945	1	45	-2.0	-125.65	391.67	7.09	-118.56
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)C3C(=O)[O-])S2)=C1	REAL300013221946	1	45	-2.0	-132.98	381.15	8.60	-124.38
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221947	1	42	-2.0	-122.65	379.84	6.56	-116.09
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC(OC)C3)S2)=C1	REAL300013221948	1	46	-2.0	-127.42	399.51	5.57	-121.85
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC(F)(F)C3)S2)=C1	REAL300013221949	1	42	-2.0	-124.08	376.36	6.73	-117.35
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@]3(C(=O)[O-])C[C@@H](OC)C3)S2)=C1	REAL300013221950	1	46	-2.0	-133.31	399.88	5.96	-127.35
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300013221951	1	48	-2.0	-133.78	397.77	9.82	-123.96
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])COC3)S2)=C1	REAL300013221952	1	40	-2.0	-121.89	358.75	3.74	-118.15
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)S2)=C1	REAL300013221953	1	47	-2.0	-127.26	385.87	6.98	-120.28
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])S2)=C1	REAL300013221954	1	43	-2.0	-136.17	374.71	9.23	-126.94
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])S2)=C1	REAL300013221955	1	46	-2.0	-135.22	390.51	8.67	-126.55
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300013221956	1	47	-2.0	-115.33	393.12	9.04	-106.29
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])S2)=C1	REAL300013221957	1	42	-2.0	-125.38	373.87	8.15	-117.23
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3C4C=CC(C4)C3C(=O)[O-])S2)=C1	REAL300013221958	1	44	-2.0	-126.71	383.23	8.89	-117.82
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)(C)C3C(=O)[O-])S2)=C1	REAL300013221959	1	48	-2.0	-135.62	401.37	8.84	-126.78
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CCC(C)C)C(=O)[O-])S2)=C1	REAL300013221960	1	50	-2.0	-123.85	427.12	8.17	-115.68
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)S2)=C1	REAL300013221961	1	42	-2.0	-118.91	372.71	2.69	-116.22
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S2)=C1	REAL300013221962	1	39	-2.0	-126.29	356.41	1.88	-124.41
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCC4CC43)S2)=C1	REAL300013221963	1	46	-2.0	-131.95	390.43	7.72	-124.23
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCCC3)S2)=C1	REAL300013221964	1	48	-2.0	-127.08	403.01	7.57	-119.51
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S2)=C1	REAL300013221965	1	45	-2.0	-126.13	396.80	5.28	-120.85
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)S2)=C1	REAL300013221966	1	45	-2.0	-130.80	383.52	7.36	-123.44
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(C)(C)CC3C(=O)[O-])S2)=C1	REAL300013221967	1	48	-2.0	-129.39	407.65	8.90	-120.49
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(F)(F)C3C(=O)[O-])S2)=C1	REAL300013221968	1	42	-2.0	-128.98	379.07	8.19	-120.79
COCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221969	1	48	-2.0	-124.07	421.73	5.94	-118.13
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300013221970	1	47	-2.0	-115.29	401.89	9.25	-106.04
CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013221971	1	45	-2.0	-126.29	400.38	5.30	-120.99
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S2)=C1	REAL300013221972	1	50	-2.0	-125.06	417.64	8.46	-116.60
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])S2)=C1	REAL300013221973	1	46	-2.0	-132.89	390.49	7.63	-125.26
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CCC#N)C(=O)[O-])S2)=C1	REAL300013221974	1	42	-2.0	-116.55	387.41	6.61	-109.94
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S2)=C1	REAL300013221975	1	41	-2.0	-113.44	359.94	7.39	-106.05
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300013222322	0	39	-2.0	-123.39	340.31	6.26	-117.13
CC1=CC(OC(F)F)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013222650	0	39	-2.0	-122.00	337.42	6.30	-115.70
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])S2	REAL300013222697	1	53	-2.0	-120.41	412.43	9.36	-111.05
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)S2	REAL300013222698	1	50	-2.0	-120.51	403.36	11.91	-108.60
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1)S2	REAL300013222699	1	47	-2.0	-125.24	389.67	8.91	-116.33
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S2	REAL300013222700	1	40	-2.0	-111.35	347.31	6.88	-104.47
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCSCC1)S2	REAL300013222701	1	45	-2.0	-117.78	359.33	7.96	-109.82
CCC1CCCC2=C1N=C([N-]C(=O)NC(C)(COC)C(=O)[O-])S2	REAL300013222702	1	44	-2.0	-122.21	354.59	5.72	-116.49
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2CC)S1	REAL300013222703	1	47	-2.0	-111.60	376.89	7.88	-103.72
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S2	REAL300013222704	1	46	-2.0	-117.35	368.16	9.31	-108.04
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CC1)S2	REAL300013222705	1	41	-2.0	-115.77	337.41	8.60	-107.17
CCC1CCCC2=C1N=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S2	REAL300013222706	1	43	-2.0	-112.24	371.79	9.41	-102.83
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCOC1)S2	REAL300013222707	1	42	-2.0	-118.62	337.76	4.57	-114.05
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)S2	REAL300013222708	1	50	-2.0	-121.87	385.85	8.36	-113.51
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(O)C=C1)S2	REAL300013222709	1	45	-2.0	-122.46	379.25	5.38	-117.08
CCC1CCCC2=C1N=C([N-]C(=O)N(C)C(COC1CCC1)C(=O)[O-])S2	REAL300013222710	1	51	-2.0	-113.49	404.37	9.25	-104.24
CCC1CCCC2=C1N=C([N-]C(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)S2	REAL300013222711	1	51	-2.0	-133.01	407.52	12.51	-120.50
C=CCOCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222712	1	45	-2.0	-120.42	378.82	5.93	-114.49
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCC(O)C1C(=O)[O-])S2	REAL300013222713	1	45	-2.0	-134.65	355.58	6.23	-128.42
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222714	1	44	-2.0	-116.85	363.75	7.29	-109.56
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)S2	REAL300013222715	1	48	-2.0	-120.91	376.13	6.01	-114.90
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)S2	REAL300013222716	1	44	-2.0	-114.63	380.36	8.40	-106.23
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(OC)CC1C(=O)[O-])S2	REAL300013222717	1	48	-2.0	-129.52	377.31	8.49	-121.03
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCOC1)S2	REAL300013222718	1	48	-2.0	-117.28	376.00	6.05	-111.23
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(C)CC1C(=O)[O-])S2	REAL300013222719	1	47	-2.0	-130.89	365.67	10.15	-120.74
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1)S2	REAL300013222720	1	47	-2.0	-117.90	395.00	8.92	-108.98
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1)S2	REAL300013222721	1	50	-2.0	-127.30	411.16	9.55	-117.75
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1)S2	REAL300013222722	1	50	-2.0	-127.19	406.67	9.43	-117.76
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S2	REAL300013222723	1	43	-2.0	-117.18	346.29	6.71	-110.47
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCCC1C(=O)[O-])S2	REAL300013222724	1	44	-2.0	-130.23	344.66	9.54	-120.69
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)S2	REAL300013222725	1	44	-2.0	-117.99	384.97	8.75	-109.24
CCC1CCCC2=C1N=C([N-]C(=O)N1CCSCC1C(=O)[O-])S2	REAL300013222726	1	42	-2.0	-122.45	344.79	9.53	-112.92
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCCC1)S2	REAL300013222727	1	47	-2.0	-124.41	361.63	8.28	-116.13
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCC1C(=O)[O-])S2	REAL300013222728	1	41	-2.0	-125.10	332.68	8.15	-116.95
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC1)S2	REAL300013222729	1	44	-2.0	-123.70	347.11	7.18	-116.52
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCCCC1)S2	REAL300013222730	1	50	-2.0	-124.78	367.29	8.94	-115.84
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])S2	REAL300013222731	1	47	-2.0	-119.15	390.57	9.17	-109.98
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)S2	REAL300013222732	1	47	-2.0	-120.49	391.17	11.27	-109.22
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)S2	REAL300013222733	1	44	-2.0	-124.90	368.29	8.23	-116.67
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013222734	1	44	-2.0	-124.94	368.03	8.31	-116.63
CCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222735	1	40	-2.0	-116.72	332.21	6.14	-110.58
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S2	REAL300013222736	1	43	-2.0	-117.18	346.29	6.71	-110.47
CCC1CCCC2=C1N=C([N-]C(=O)NC(CO)C(=O)[O-])S2	REAL300013222737	1	38	-2.0	-120.37	321.81	1.98	-118.39
CCC1CCCC2=C1N=C([N-]C(=O)NC(CO)C(=O)[O-])S2	REAL300013222738	1	38	-2.0	-120.37	321.81	1.98	-118.39
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])S2	REAL300013222739	1	47	-2.0	-119.15	390.57	9.17	-109.98
CCC(C)C(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222740	1	46	-2.0	-119.53	367.09	7.36	-112.17
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCCC1C(=O)[O-])S2	REAL300013222741	1	44	-2.0	-130.23	344.66	9.54	-120.69
CCCC(C)(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222742	1	46	-2.0	-120.28	357.84	7.19	-113.09
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S2	REAL300013222743	1	43	-2.0	-115.56	342.49	8.59	-106.97
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CC1)S2	REAL300013222744	1	41	-2.0	-115.77	337.41	8.60	-107.17
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2CC)S1	REAL300013222745	1	41	-2.0	-117.53	345.06	8.82	-108.71
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S2	REAL300013222746	1	46	-2.0	-117.35	368.16	9.31	-108.04
CCC1CCCC2=C1N=C([N-]C(=O)N1CC3=CC=CC=C3CC1C(=O)[O-])S2	REAL300013222747	1	48	-2.0	-132.05	382.74	11.64	-120.41
CCC1CCCC2=C1N=C([N-]C(=O)NC(C)(C)C(=O)[O-])S2	REAL300013222748	1	40	-2.0	-100.33	322.95	5.51	-94.82
CCC1CCCC2=C1N=C([N-]C(=O)NC(C)(C(=O)[O-])C1CC1)S2	REAL300013222749	1	44	-2.0	-122.21	348.97	7.27	-114.94
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CS1)S2	REAL300013222750	1	41	-2.0	-121.85	359.87	7.31	-114.54
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCCC1)S2	REAL300013222751	1	47	-2.0	-124.41	361.63	8.28	-116.13
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S2	REAL300013222752	1	43	-2.0	-115.56	342.49	8.59	-106.97
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2CC)S1	REAL300013222753	1	43	-2.0	-117.60	353.66	9.03	-108.57
CCC1CCCC2=C1N=C([N-]C(=O)N(CC)CC(=O)[O-])S2	REAL300013222754	1	40	-2.0	-114.72	332.25	8.26	-106.46
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S2	REAL300013222755	1	38	-2.0	-120.42	321.81	1.99	-118.43
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222756	1	46	-2.0	-119.15	362.63	7.17	-111.98
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC1)S2	REAL300013222757	1	44	-2.0	-123.70	347.11	7.18	-116.52
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)S2	REAL300013222758	1	47	-2.0	-110.21	391.54	11.05	-99.16
CCC1CCCC2=C1N=C([N-]C(=O)NC(C)(CC)C(=O)[O-])S2	REAL300013222759	1	43	-2.0	-119.43	336.35	6.43	-113.00
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)S2	REAL300013222760	1	48	-2.0	-127.74	386.23	9.33	-118.41
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)S2	REAL300013222761	1	44	-2.0	-123.30	378.89	8.45	-114.85
CCC1CCCC2=C1N=C([N-]C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013222762	1	47	-2.0	-126.74	376.37	8.94	-117.80
CCC1CCCC2=C1N=C([N-]C(=O)N(CC)CC(=O)[O-])S2	REAL300013222763	1	40	-2.0	-114.72	332.25	8.26	-106.46
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222764	1	55	-2.0	-121.18	422.34	9.52	-111.66
CCC1CCCC2=C1N=C([N-]C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])S2	REAL300013222765	1	42	-2.0	-126.39	343.94	4.74	-121.65
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC1)S2	REAL300013222766	1	38	-2.0	-123.11	316.54	6.23	-116.88
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)S2	REAL300013222767	1	44	-2.0	-117.99	384.97	8.75	-109.24
CCC1CCCC2=C1N=C([N-]C(=O)N1CCOCC1C(=O)[O-])S2	REAL300013222768	1	42	-2.0	-123.87	335.86	7.12	-116.75
CCC1CCCC2=C1N=C([N-]C(=O)N(C)C1(C(=O)[O-])CCCCC1)S2	REAL300013222769	1	50	-2.0	-123.61	373.04	10.03	-113.58
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CC1)S2	REAL300013222770	1	41	-2.0	-118.41	339.01	6.64	-111.77
CCC1CCCC2=C1N=C([N-]C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])S2	REAL300013222771	1	50	-2.0	-120.40	413.66	12.04	-108.36
CCC1CCCC2=C1N=C([N-]C(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013222772	1	47	-2.0	-117.80	377.97	10.17	-107.63
CCC1CCCC2=C1N=C([N-]C(=O)N(CCOC)CC(=O)[O-])S2	REAL300013222773	1	44	-2.0	-118.81	363.52	7.44	-111.37
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC3=CC=CC=C31)S2	REAL300013222774	1	48	-2.0	-132.12	382.97	9.23	-122.89
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])S2	REAL300013222775	1	41	-2.0	-125.42	333.57	7.88	-117.54
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCC[C@@H]1C(=O)[O-])S2	REAL300013222776	1	44	-2.0	-130.19	344.73	9.56	-120.63
CCC1CCCC2=C1N=C([N-]C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])S2	REAL300013222777	1	42	-2.0	-124.33	344.80	4.48	-119.85
CCC1CCCC2=C1N=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S2	REAL300013222778	1	40	-2.0	-108.60	324.17	7.46	-101.14
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC[C@H]1C(=O)[O-])S2	REAL300013222779	1	41	-2.0	-125.04	332.70	8.13	-116.91
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC1)S2	REAL300013222780	1	41	-2.0	-123.52	333.27	6.76	-116.76
C=CCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222781	1	41	-2.0	-116.45	345.52	6.59	-109.86
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCC1(C)C(=O)[O-])S2	REAL300013222782	1	44	-2.0	-124.66	349.84	8.68	-115.98
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCCCC1C(=O)[O-])S2	REAL300013222783	1	47	-2.0	-129.52	359.73	10.16	-119.36
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CC1)S2	REAL300013222784	1	41	-2.0	-118.41	339.01	6.64	-111.77
CCC1CCCC2=C1N=C([N-]C(=O)N(C)C(C)C(=O)[O-])S2	REAL300013222785	1	40	-2.0	-108.70	324.41	7.51	-101.19
CCCCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222786	1	46	-2.0	-117.30	374.37	7.71	-109.59
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC(O)=C1)S2	REAL300013222787	1	45	-2.0	-124.73	379.26	5.38	-119.35
CCC1CCCC2=C1N=C([N-]C(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])S2	REAL300013222788	1	50	-2.0	-120.40	413.66	12.04	-108.36
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC[C@@]1(C)C(=O)[O-])S2	REAL300013222789	1	44	-2.0	-124.67	349.85	8.68	-115.99
CCC1CCCC2=C1N=C([N-]C(=O)N(C)C1(C(=O)[O-])CCCCC1)S2	REAL300013222790	1	50	-2.0	-123.61	373.04	10.03	-113.58
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCCC1)S2	REAL300013222791	1	47	-2.0	-118.57	368.49	9.83	-108.74
CCC1CCCC2=C1N=C([N-]C(=O)NC(COC)C(=O)[O-])S2	REAL300013222792	1	41	-2.0	-119.37	344.06	4.38	-114.99
CCCCCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222793	1	49	-2.0	-117.40	396.70	8.47	-108.93
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S2	REAL300013222794	1	46	-2.0	-119.00	361.29	7.29	-111.71
CCC1CCC(NC(=O)[N-]C2=NC3=C(CCCC3CC)S2)(C(=O)[O-])CC1	REAL300013222795	1	53	-2.0	-124.70	400.70	9.53	-115.17
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)S2	REAL300013222796	1	48	-2.0	-118.53	376.91	8.16	-110.37
CCC1CCCC2=C1N=C([N-]C(=O)N(C)C1(C(=O)[O-])CCCC1)S2	REAL300013222797	1	47	-2.0	-125.56	359.68	9.08	-116.48
CCC1CCCC2=C1N=C([N-]C(=O)N(C(C)C(=O)[O-])C1CC1)S2	REAL300013222798	1	44	-2.0	-109.71	343.19	8.48	-101.23
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCCC2CC)S1)C1CC1	REAL300013222799	1	47	-2.0	-112.36	366.70	9.99	-102.37
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)S2	REAL300013222800	1	44	-2.0	-125.07	379.04	8.71	-116.36
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1F)S2	REAL300013222801	1	44	-2.0	-128.80	372.44	8.39	-120.41
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC3=CC=CC=C3C1C(=O)[O-])S2	REAL300013222802	1	48	-2.0	-123.95	385.23	10.99	-112.96
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C)S2	REAL300013222803	1	50	-2.0	-126.29	398.27	9.25	-117.04
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2CC)S1	REAL300013222804	1	43	-2.0	-117.60	353.66	9.03	-108.57
CCC1CCCC2=C1N=C([N-]C(=O)N(C(COC)C(=O)[O-])C1CC1)S2	REAL300013222805	1	48	-2.0	-109.94	380.64	9.54	-100.40
CCC1CCCC2=C1N=C([N-]C(=O)N(C(C)C(=O)[O-])C1CCC1)S2	REAL300013222806	1	47	-2.0	-109.93	366.09	9.34	-100.59
CCCN(C(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(COC)C(=O)[O-]	REAL300013222807	1	50	-2.0	-122.15	396.59	9.80	-112.35
CCCN(C(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(CC)C(=O)[O-]	REAL300013222808	1	49	-2.0	-120.65	382.53	10.50	-110.15
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S2	REAL300013222809	1	46	-2.0	-118.45	370.57	7.52	-110.93
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCOCC1)S2	REAL300013222810	1	45	-2.0	-119.92	353.06	5.79	-114.13
C=CCCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222811	1	44	-2.0	-117.05	365.68	7.50	-109.55
CCC1CCCC2=C1N=C([N-]C(=O)NC(CF)C(=O)[O-])S2	REAL300013222812	1	37	-2.0	-102.28	313.99	5.15	-97.13
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC)(CC)C(=O)[O-])S2	REAL300013222813	1	46	-2.0	-121.38	352.93	7.33	-114.05
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1)S2	REAL300013222814	1	48	-2.0	-122.43	397.49	7.62	-114.81
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC)(COC)C(=O)[O-])S2	REAL300013222815	1	47	-2.0	-124.10	371.26	6.62	-117.48
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1CC1)C(=O)[O-])S2	REAL300013222816	1	44	-2.0	-118.14	363.72	7.71	-110.43
CCC1CCCC2=C1N=C([N-]C(=O)NC(CCOC)C(=O)[O-])S2	REAL300013222817	1	44	-2.0	-115.16	365.88	5.21	-109.95
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S2	REAL300013222818	1	40	-2.0	-111.50	343.72	6.45	-105.05
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013222819	1	50	-2.0	-127.96	393.09	9.82	-118.14
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCC(OC)C1)S2	REAL300013222820	1	54	-2.0	-124.22	418.32	7.36	-116.86
CCC1CCCC2=C1N=C([N-]C(=O)NC(CCF)C(=O)[O-])S2	REAL300013222821	1	40	-2.0	-111.97	337.97	6.32	-105.65
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1(OC)CCC1)C(=O)[O-])S2	REAL300013222822	1	51	-2.0	-122.03	402.08	7.50	-114.53
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)S2	REAL300013222823	1	48	-2.0	-118.53	376.91	8.16	-110.37
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCCCC1)S2	REAL300013222824	1	50	-2.0	-120.00	385.89	10.55	-109.45
CCC1CCCC2=C1N=C([N-]C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)S2	REAL300013222825	1	50	-2.0	-124.99	375.43	8.66	-116.33
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1)S2	REAL300013222826	1	48	-2.0	-126.56	397.14	7.56	-119.00
CCC1CCCC2=C1N=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S2	REAL300013222827	1	43	-2.0	-114.39	342.94	6.57	-107.82
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC3=C(C=CO3)C1C(=O)[O-])S2	REAL300013222828	1	45	-2.0	-120.18	367.96	9.16	-111.02
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1)S2	REAL300013222829	1	48	-2.0	-126.71	397.51	7.60	-119.11
CCC1CCCC2=C1N=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S2	REAL300013222830	1	40	-2.0	-108.20	325.25	7.51	-100.69
CCC1CCCC2=C1N=C([N-]C(=O)N1CC(C(=O)OC)CCC1C(=O)[O-])S2	REAL300013222831	1	50	-2.0	-125.55	399.57	10.10	-115.45
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)S2	REAL300013222832	1	53	-2.0	-126.34	389.65	9.14	-117.20
CCC1CCCC2=C1N=C([N-]C(=O)N1CC3CC1(C(=O)[O-])C3)S2	REAL300013222833	1	42	-2.0	-128.81	339.16	8.67	-120.14
CCC1CCCC2=C1N=C([N-]C(=O)N1CC(OC)CC1(C)C(=O)[O-])S2	REAL300013222834	1	48	-2.0	-124.13	383.12	7.64	-116.49
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1CCCOC1)C(=O)[O-])S2	REAL300013222835	1	51	-2.0	-120.54	403.50	6.99	-113.55
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S2	REAL300013222836	1	46	-2.0	-119.00	361.29	7.29	-111.71
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222837	1	41	-2.0	-114.25	360.64	7.23	-107.02
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222838	1	44	-2.0	-116.70	366.09	7.34	-109.36
CCC1CCCC2=C1N=C([N-]C(=O)N1C3CCC1(C(=O)[O-])CC3)S2	REAL300013222839	1	45	-2.0	-128.53	352.61	9.43	-119.10
CCC1CCCC2=C1N=C([N-]C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])S2	REAL300013222840	1	42	-2.0	-123.90	344.73	4.49	-119.41
CCC1CCCC2=C1N=C([N-]C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])S2	REAL300013222841	1	41	-2.0	-114.64	345.77	8.28	-106.36
CCC1CCCC2=C1N=C([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])S2	REAL300013222842	1	41	-2.0	-119.63	339.24	8.23	-111.40
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3CC)S2)C1	REAL300013222843	1	42	-2.0	-126.10	346.06	8.57	-117.53
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1CCOCC1)C(=O)[O-])S2	REAL300013222844	1	51	-2.0	-116.95	399.37	7.65	-109.30
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S2	REAL300013222845	1	46	-2.0	-118.45	370.57	7.52	-110.93
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)S2	REAL300013222846	1	48	-2.0	-120.91	376.13	6.01	-114.90
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013222847	1	44	-2.0	-124.94	368.03	8.31	-116.63
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1CC1)C(=O)[O-])S2	REAL300013222848	1	44	-2.0	-118.14	363.72	7.71	-110.43
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1=CN=CS1)C(=O)[O-])S2	REAL300013222849	1	43	-2.0	-116.98	376.27	6.36	-110.62
CCC1CCCC2=C1N=C([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])S2	REAL300013222850	1	52	-2.0	-117.83	414.27	8.99	-108.84
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1CCCO1)C(=O)[O-])S2	REAL300013222851	1	48	-2.0	-124.28	388.05	6.60	-117.68
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)S2	REAL300013222852	1	41	-2.0	-121.62	340.35	3.05	-118.57
CCC1CCCC2=C1N=C([N-]C(=O)NC(CSC)C(=O)[O-])S2	REAL300013222853	1	41	-2.0	-117.18	355.00	6.60	-110.58
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](COC)C(=O)[O-])S2	REAL300013222854	1	41	-2.0	-119.46	343.97	4.40	-115.06
CC[C@H](NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222855	1	40	-2.0	-116.72	331.86	6.22	-110.50
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])S2	REAL300013222856	1	47	-2.0	-114.72	396.71	9.30	-105.42
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222857	1	49	-2.0	-119.49	389.14	8.15	-111.34
C=CCCCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222858	1	47	-2.0	-117.17	388.02	8.25	-108.92
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])S2	REAL300013222859	1	47	-2.0	-114.77	396.65	9.30	-105.47
CCC1CCCC2=C1N=C([N-]C(=O)N1CCSCC1C(=O)[O-])S2	REAL300013222860	1	42	-2.0	-122.45	344.79	9.53	-112.92
CCC1CCCC2=C1N=C([N-]C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013222861	1	47	-2.0	-126.74	376.37	8.94	-117.80
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])S2	REAL300013222862	1	41	-2.0	-125.42	333.57	7.88	-117.54
CCCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222863	1	43	-2.0	-117.16	353.70	6.92	-110.24
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)S2	REAL300013222864	1	43	-2.0	-117.80	343.55	6.56	-111.24
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])S2	REAL300013222865	1	45	-2.0	-131.18	354.86	9.78	-121.40
CCC1CCCC2=C1N=C([N-]C(=O)N(CC)C(C)(C)C(=O)[O-])S2	REAL300013222866	1	46	-2.0	-122.05	357.88	9.13	-112.92
CCCN(C(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(C)C(=O)[O-]	REAL300013222867	1	46	-2.0	-121.57	366.43	10.10	-111.47
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222868	1	43	-2.0	-117.05	353.37	6.98	-110.07
CCC1CCCC2=C1N=C([N-]C(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])S2	REAL300013222869	1	45	-2.0	-131.42	357.56	9.09	-122.33
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)S2	REAL300013222870	1	44	-2.0	-124.90	368.29	8.23	-116.67
CCC1CCCC2=C1N=C([N-]C(=O)N(C)C(C)(C)C(=O)[O-])S2	REAL300013222871	1	43	-2.0	-120.98	339.39	8.27	-112.71
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC[C@H]1C(=O)[O-])S2	REAL300013222872	1	41	-2.0	-125.04	332.70	8.13	-116.91
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222875	1	49	-2.0	-119.49	389.14	8.15	-111.34
C#CCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222876	1	39	-2.0	-116.54	338.47	6.56	-109.98
CCC1CCCC2=C1N=C([N-]C(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])S2	REAL300013222877	1	50	-2.0	-116.17	395.36	11.11	-105.06
CCC1CCCC2=C1N=C([N-]C(=O)N(C)C(C)C(=O)[O-])S2	REAL300013222878	1	40	-2.0	-108.70	324.41	7.51	-101.19
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])S2	REAL300013222879	1	47	-2.0	-118.31	384.09	8.07	-110.24
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])S2	REAL300013222880	1	46	-2.0	-116.04	385.66	7.41	-108.63
CCC1CCCC2=C1N=C([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])S2	REAL300013222881	1	50	-2.0	-112.48	397.16	8.63	-103.85
CCC1CCCC2=C1N=C([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])S2	REAL300013222882	1	49	-2.0	-112.17	383.50	10.02	-102.15
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=N1)S2	REAL300013222883	1	43	-2.0	-128.16	364.65	6.65	-121.51
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCCC2CC)S1	REAL300013222884	1	50	-2.0	-127.59	387.31	10.50	-117.09
CCC1CCCC2=C1N=C([N-]C(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])S2	REAL300013222885	1	50	-2.0	-116.25	396.39	11.29	-104.96
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])S2	REAL300013222888	1	46	-2.0	-116.04	385.66	7.41	-108.63
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CN=C1)S2	REAL300013222889	1	43	-2.0	-121.32	362.93	6.51	-114.81
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCC1(COC)C(=O)[O-])S2	REAL300013222890	1	48	-2.0	-126.15	378.72	8.88	-117.27
CCC1CCCC2=C1N=C([N-]C(=O)N1C3=CC=CC(C)=C3CC1C(=O)[O-])S2	REAL300013222891	0	48	-2.0	-128.53	386.63	12.13	-116.40
CCC1CCCC2=C1N=C([N-]C(=O)N1C3=CC=CC=C3C[C@H](C)[C@@H]1C(=O)[O-])S2	REAL300013222892	0	51	-2.0	-122.38	397.39	11.62	-110.76
CCC1CCCC2=C1N=C([N-]C(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])S2	REAL300013222893	1	49	-2.0	-116.93	408.16	8.24	-108.69
C=CCCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222894	1	44	-2.0	-117.05	365.68	7.50	-109.55
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1=NC=CS1)C(=O)[O-])S2	REAL300013222895	1	43	-2.0	-118.23	377.06	6.18	-112.05
CC#CCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222896	1	42	-2.0	-118.42	360.30	7.52	-110.90
CCC1CCCC2=C1N=C([N-]C(=O)N1CC(=O)N(C)CC1C(=O)[O-])S2	REAL300013222897	1	45	-2.0	-119.53	361.08	7.48	-112.05
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC[C@]1(C)C(=O)[O-])S2	REAL300013222898	1	44	-2.0	-124.84	349.80	8.68	-116.16
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)S2	REAL300013222899	1	43	-2.0	-117.18	346.31	6.71	-110.47
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)S2	REAL300013222900	1	44	-2.0	-125.03	368.24	8.23	-116.80
CCC1CCCC2=C1N=C([N-]C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])S2	REAL300013222901	1	47	-2.0	-122.43	377.73	7.48	-114.95
CCC1CCCC2=C1N=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S2	REAL300013222902	1	40	-2.0	-108.20	325.25	7.51	-100.69
CCC[C@H](NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222903	1	43	-2.0	-117.13	352.87	6.94	-110.19
CCC1CCCC2=C1N=C([N-]C(=O)N(CC)C(C)C(=O)[O-])S2	REAL300013222904	1	43	-2.0	-110.44	343.82	8.34	-102.10
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCCC1)S2	REAL300013222905	1	47	-2.0	-118.57	368.49	9.83	-108.74
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222906	1	46	-2.0	-119.15	362.63	7.17	-111.98
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2CC)S1	REAL300013222907	1	43	-2.0	-108.95	345.19	8.49	-100.46
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(CO)C1)S2	REAL300013222908	1	45	-2.0	-126.17	365.62	4.03	-122.14
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)S2	REAL300013222909	1	53	-2.0	-123.39	411.85	7.39	-116.00
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC(C)C1)S2	REAL300013222910	1	47	-2.0	-124.28	367.29	7.81	-116.47
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC1(C)C)S2	REAL300013222911	1	50	-2.0	-127.36	376.09	8.43	-118.93
CCC1CCCC2=C1N=C([N-]C(=O)NC(CCOC)C(=O)[O-])S2	REAL300013222912	1	44	-2.0	-115.16	365.88	5.21	-109.95
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(C)(C)C1)S2	REAL300013222913	1	47	-2.0	-125.28	369.78	8.47	-116.81
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1(C)CC1)S2	REAL300013222914	1	44	-2.0	-120.67	353.57	7.50	-113.17
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)S2	REAL300013222915	1	53	-2.0	-123.67	415.99	7.44	-116.23
CCC1CCCC2=C1N=C([N-]C(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])S2	REAL300013222916	1	42	-2.0	-132.54	344.87	4.67	-127.87
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCOC1)S2	REAL300013222917	1	45	-2.0	-115.67	359.34	5.09	-110.58
CCC1CCCC2=C1N=C([N-]C(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])S2	REAL300013222918	1	45	-2.0	-128.69	354.85	9.23	-119.46
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CNC3=CC=CC=C13)S2	REAL300013222919	1	48	-2.0	-130.87	400.15	8.35	-122.52
CCC1CCCC2=C1N=C([N-]C(=O)N1CC3CC1(C(=O)[O-])CO3)S2	REAL300013222920	1	43	-2.0	-123.77	346.04	6.97	-116.80
CCC1CCCC2=C1N=C([N-]C(=O)N1CC(C)CCC1C(=O)[O-])S2	REAL300013222921	1	47	-2.0	-130.90	365.65	10.06	-120.84
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)S2	REAL300013222922	1	50	-2.0	-121.05	407.37	9.58	-111.47
CCC1CCCC2=C1N=C([N-]C(=O)N(C)C1(C(=O)[O-])CC1)S2	REAL300013222923	1	41	-2.0	-120.74	339.74	8.03	-112.71
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])S2	REAL300013222924	1	51	-2.0	-120.27	404.79	9.31	-110.96
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCC1)S2	REAL300013222925	1	44	-2.0	-120.01	352.77	7.05	-112.96
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)S2	REAL300013222926	1	50	-2.0	-121.87	385.85	8.36	-113.51
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCC1)S2	REAL300013222927	1	44	-2.0	-120.01	352.77	7.05	-112.96
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(C)C1C(=O)[O-])S2	REAL300013222928	1	44	-2.0	-125.94	346.46	8.67	-117.27
C=CCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222929	1	41	-2.0	-116.45	345.52	6.59	-109.86
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1CCCCO1)C(=O)[O-])S2	REAL300013222930	1	51	-2.0	-121.67	404.11	7.96	-113.71
CCC1CCCC2=C1N=C([N-]C(=O)N1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)S2	REAL300013222931	1	51	-2.0	-133.18	390.05	10.34	-122.84
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)S2	REAL300013222932	1	51	-2.0	-120.96	382.27	7.08	-113.88
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC3=C(C)C=CC=C3C1C(=O)[O-])S2	REAL300013222933	1	51	-2.0	-137.12	399.04	12.07	-125.05
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])S2	REAL300013222934	1	51	-2.0	-120.27	404.79	9.31	-110.96
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])S2	REAL300013222935	1	47	-2.0	-116.40	396.72	9.30	-107.10
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(OC)C1)S2	REAL300013222936	1	45	-2.0	-120.45	364.82	5.63	-114.82
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(F)(F)C1)S2	REAL300013222937	1	41	-2.0	-117.07	341.66	6.79	-110.28
CCC1CCCC2=C1N=C([N-]C(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)S2	REAL300013222938	1	45	-2.0	-120.41	364.83	5.63	-114.78
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)S2	REAL300013222939	1	44	-2.0	-115.57	370.02	7.92	-107.65
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCC1(CC)C(=O)[O-])S2	REAL300013222940	1	47	-2.0	-126.76	363.43	9.62	-117.14
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S2	REAL300013222941	1	40	-2.0	-111.35	347.31	6.88	-104.47
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])S2	REAL300013222942	1	48	-2.0	-117.86	385.91	6.17	-111.69
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])COC1)S2	REAL300013222943	1	39	-2.0	-115.31	324.05	3.80	-111.51
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=CS1)C(=O)[O-])S2	REAL300013222944	1	44	-2.0	-117.47	382.16	8.29	-109.18
CCC1CCCC2=C1N=C([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)S2	REAL300013222945	1	46	-2.0	-120.69	351.27	7.06	-113.63
CCC1CCCC2=C1N=C([N-]C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])S2	REAL300013222946	1	42	-2.0	-129.57	340.12	9.28	-120.29
CCC1CCCC2=C1N=C([N-]C(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])S2	REAL300013222947	1	45	-2.0	-129.23	355.95	8.94	-120.29
CCC1CCCC2=C1N=C([N-]C(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])S2	REAL300013222948	1	50	-2.0	-116.25	396.39	11.29	-104.96
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])S2	REAL300013222949	1	53	-2.0	-120.41	412.43	9.36	-111.05
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])S2	REAL300013222950	1	50	-2.0	-119.49	413.52	9.95	-109.54
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])S2	REAL300013222951	1	50	-2.0	-119.44	413.37	10.00	-109.44
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CC3CCC1C3)S2	REAL300013222952	1	51	-2.0	-123.00	394.83	8.99	-114.01
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])S2	REAL300013222953	1	53	-2.0	-120.41	412.46	9.37	-111.04
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])S2	REAL300013222954	1	53	-2.0	-120.48	412.44	9.36	-111.12
CCC1CCCC2=C1N=C([N-]C(=O)N1CC3(CCCC3)CC1C(=O)[O-])S2	REAL300013222955	1	51	-2.0	-130.46	395.85	10.15	-120.31
CCC1CCCC2=C1N=C([N-]C(=O)N1C[C@H]3CCCC[C@H]3[C@@H]1C(=O)[O-])S2	REAL300013222956	1	51	-2.0	-129.91	391.64	9.89	-120.02
C=CCSCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222957	1	45	-2.0	-117.84	389.95	8.01	-109.83
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])S2	REAL300013222958	1	48	-2.0	-113.81	411.35	9.57	-104.24
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CCCC2CC)S1	REAL300013222959	1	46	-2.0	-119.86	361.33	9.76	-110.10
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1(OC)CCC1)S2	REAL300013222960	1	48	-2.0	-122.94	380.28	6.59	-116.35
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC3=CC=CC=C3C1)S2	REAL300013222961	1	51	-2.0	-128.08	399.59	10.19	-117.89
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(C(F)F)C1)S2	REAL300013222962	1	44	-2.0	-122.96	365.19	7.59	-115.37
CCC1CCCC2=C1N=C(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)S2	REAL300013222963	0	44	-2.0	-117.73	365.36	8.57	-109.16
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)S2	REAL300013222963	1	43	-3.0	-201.95	362.21	7.35	-194.60
CCC1CCCC2=C1N=C([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])S2	REAL300013222964	1	41	-2.0	-119.63	339.24	8.23	-111.40
CCC1CCCC2=C1N=C([N-]C(=O)N1C3C=CC(C3)C1C(=O)[O-])S2	REAL300013222965	1	43	-2.0	-129.68	349.19	9.00	-120.68
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(C)(C)C1C(=O)[O-])S2	REAL300013222966	1	47	-2.0	-128.34	366.68	8.92	-119.42
CCC1CCCC2=C1N=C([N-]C(=O)N1CC3(CCC3)CCC1C(=O)[O-])S2	REAL300013222967	1	51	-2.0	-133.59	390.25	11.25	-122.34
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCC3=CC=CC=C31)S2	REAL300013222968	1	51	-2.0	-120.84	403.59	9.78	-111.06
CCC1CCCC2=C1N=C([N-]C(=O)NC(CCC(C)C)C(=O)[O-])S2	REAL300013222969	1	49	-2.0	-117.75	392.77	8.21	-109.54
CCC1CCCC2=C1N=C([N-]C(=O)N1CC3(CCC3)CC1C(=O)[O-])S2	REAL300013222970	1	48	-2.0	-131.63	382.34	9.71	-121.92
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])S2	REAL300013222971	1	48	-2.0	-117.86	385.91	6.17	-111.69
CCC1CCCC2=C1N=C([N-]C(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-])S2	REAL300013222972	1	45	-2.0	-121.16	375.81	9.28	-111.88
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)S2	REAL300013222973	1	41	-2.0	-112.65	336.07	2.69	-109.96
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S2	REAL300013222974	1	38	-2.0	-120.42	321.81	1.99	-118.43
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC3CC31)S2	REAL300013222975	1	48	-2.0	-127.31	367.33	8.92	-118.39
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC3CC31)S2	REAL300013222976	1	45	-2.0	-125.94	354.60	8.01	-117.93
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3(CCC3)C1)S2	REAL300013222977	1	48	-2.0	-125.51	375.96	8.38	-117.13
CCC1CCCC2=C1N=C([N-]C(=O)N1CC3(CC1C(=O)[O-])CCCCC3)S2	REAL300013222978	1	54	-2.0	-131.59	409.31	10.64	-120.95
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCC1)S2	REAL300013222979	1	47	-2.0	-120.66	368.28	7.74	-112.92
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S2	REAL300013222980	1	44	-2.0	-120.21	361.62	5.39	-114.82
CCC1CCCC2=C1N=C([N-]C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)S2	REAL300013222981	1	44	-2.0	-125.87	355.19	7.77	-118.10
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)S2	REAL300013222982	1	47	-2.0	-120.49	391.17	11.27	-109.22
CCC1CCCC2=C1N=C([N-]C(=O)N1CC(C)(C)CC1C(=O)[O-])S2	REAL300013222983	1	47	-2.0	-129.30	372.96	9.01	-120.29
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(F)(F)CC1C(=O)[O-])S2	REAL300013222984	1	44	-2.0	-120.81	356.03	9.69	-111.12
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(F)(F)C1C(=O)[O-])S2	REAL300013222985	1	41	-2.0	-121.56	344.48	8.26	-113.30
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])S2	REAL300013222986	1	47	-2.0	-116.40	396.72	9.30	-107.10
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])S2	REAL300013222987	1	44	-2.0	-116.88	381.13	8.18	-108.70
CCC1CCCC2=C1N=C([N-]C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])S2	REAL300013222988	1	44	-2.0	-118.49	362.29	8.89	-109.60
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3(CC(F)(F)C3)C1)S2	REAL300013222989	1	48	-2.0	-123.55	395.15	8.80	-114.75
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])S2	REAL300013222990	1	44	-2.0	-116.88	381.13	8.18	-108.70
CCC1CCCC2=C1N=C([N-]C(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])S2	REAL300013222991	1	48	-2.0	-130.25	371.10	9.52	-120.73
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=C(O)C=C1)S2	REAL300013222992	1	45	-2.0	-121.90	379.03	5.46	-116.44
CCC1CCCC2=C1N=C([N-]C(=O)NC(CCCOC)C(=O)[O-])S2	REAL300013222993	1	47	-2.0	-117.94	386.55	6.00	-111.94
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCCC2CC)S1	REAL300013222994	1	46	-2.0	-110.47	366.25	9.21	-101.26
CCOCC(NC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013222995	1	44	-2.0	-120.24	365.92	5.37	-114.87
CCC1CCCC2=C1N=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S2	REAL300013222996	1	49	-2.0	-118.71	382.18	8.58	-110.13
CCC1CCCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCCO1)S2	REAL300013222997	1	48	-2.0	-123.84	382.60	6.31	-117.53
CCC1CCCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)S2	REAL300013222998	1	48	-2.0	-127.74	386.23	9.33	-118.41
CCC1CCCC2=C1N=C([N-]C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])S2	REAL300013222999	1	45	-2.0	-126.07	356.20	7.79	-118.28
CCC1CCCC2=C1N=C([N-]C(=O)NC(CCC#N)C(=O)[O-])S2	REAL300013223000	1	41	-2.0	-110.85	353.06	6.65	-104.20
CCC1CCCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=CO1)S2	REAL300013223001	1	44	-2.0	-120.13	372.82	9.41	-110.72
CCC1CCCC2=C1N=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S2	REAL300013223002	1	40	-2.0	-108.60	324.17	7.46	-101.14
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCCC3CC)S2)C1	REAL300013223003	1	48	-2.0	-127.21	387.84	8.08	-119.13
CC(C)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C(Cl)=C1	REAL300013223282	0	41	-2.0	-113.68	353.63	8.36	-105.32
CN(C)S(=O)(=O)CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013223517	0	46	-2.0	-124.91	398.97	4.56	-120.35
O=C([O-])C1CC(NC(=O)NC2=CC=C(OCCF)C=C2)(C(=O)[O-])C1	REAL300013223797	0	39	-2.0	-120.01	337.57	6.17	-113.84
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C(=O)C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300013224107	0	37	-2.0	-128.75	339.87	6.74	-122.01
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(S(N)(=O)=O)=C1	REAL300013224390	0	40	-2.0	-123.23	355.19	1.44	-121.79
CC1=CC(C(F)(F)F)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013224703	0	38	-2.0	-113.62	337.21	7.76	-105.86
CC(C)(C)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013225002	0	43	-2.0	-114.38	353.73	6.65	-107.73
O=C([O-])C1CC(NC(=O)NC2=CC3=C(C=N2)CCCCC3)(C(=O)[O-])C1	REAL300013225330	0	44	-2.0	-130.53	355.12	8.66	-121.87
O=C([O-])C1CC(NC(=O)NC2=CC=NN2C2CCC2)(C(=O)[O-])C1	REAL300013225591	0	39	-2.0	-114.54	327.43	6.72	-107.82
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])=N2	REAL300013225760	1	56	-2.0	-126.68	433.34	9.69	-116.99
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)C(=O)[O-])C=C1	REAL300013225761	1	50	-2.0	-131.94	411.44	9.22	-122.72
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2	REAL300013225762	1	43	-2.0	-116.95	368.95	7.19	-109.76
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCSCC1)=N2	REAL300013225763	1	48	-2.0	-124.27	381.06	8.32	-115.95
COCC(C)(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225764	1	47	-2.0	-128.86	376.23	6.09	-122.77
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225765	1	50	-2.0	-116.58	398.53	8.20	-108.38
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225766	1	49	-2.0	-121.58	390.05	9.85	-111.73
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013225767	1	44	-2.0	-122.13	359.14	8.91	-113.22
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N2	REAL300013225768	1	46	-2.0	-114.63	393.52	9.71	-104.92
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOC1)=N2	REAL300013225769	1	45	-2.0	-125.06	359.51	4.93	-120.13
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)=N2	REAL300013225770	1	53	-2.0	-128.59	407.58	8.67	-119.92
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=C(O)C=C1)=N2	REAL300013225771	1	48	-2.0	-128.32	401.05	5.69	-122.63
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C(COC1CCC1)C(=O)[O-])=N2	REAL300013225772	1	54	-2.0	-118.53	425.50	9.46	-109.07
C=CCOCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225773	1	48	-2.0	-126.51	399.98	6.25	-120.26
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)C1C(=O)[O-])=N2	REAL300013225774	1	48	-2.0	-143.52	377.30	6.55	-136.97
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225775	1	47	-2.0	-122.93	385.38	7.60	-115.33
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)=N2	REAL300013225776	1	51	-2.0	-125.17	403.87	6.51	-118.66
COC1CCN(C(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)C(C(=O)[O-])C1	REAL300013225777	1	51	-2.0	-140.27	397.02	9.07	-131.20
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCOC1)=N2	REAL300013225778	1	51	-2.0	-123.95	398.32	6.28	-117.67
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)CC1C(=O)[O-])=N2	REAL300013225779	1	50	-2.0	-139.82	380.53	10.31	-129.51
CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225780	1	46	-2.0	-123.19	368.02	7.01	-116.18
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013225781	1	47	-2.0	-138.67	366.31	9.92	-128.75
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013225782	1	45	-2.0	-130.84	366.53	9.91	-120.93
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013225783	1	50	-2.0	-131.27	383.37	8.63	-122.64
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C(=O)[O-])=N2	REAL300013225784	1	44	-2.0	-131.84	354.46	8.47	-123.37
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013225785	1	47	-2.0	-130.57	368.85	7.54	-123.03
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCCC1)=N2	REAL300013225786	1	53	-2.0	-131.80	389.02	9.30	-122.50
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])=N2	REAL300013225787	1	50	-2.0	-125.39	412.21	9.48	-115.91
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)=N2	REAL300013225788	1	50	-2.0	-123.55	412.89	11.58	-111.97
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013225789	1	47	-2.0	-131.69	390.02	8.54	-123.15
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013225790	1	47	-2.0	-131.58	389.78	8.62	-122.96
CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225791	1	43	-2.0	-122.59	353.02	6.48	-116.11
CC(C)C(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225792	1	46	-2.0	-123.19	368.02	7.01	-116.18
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)CC(=O)[O-])=N2	REAL300013225793	1	40	-2.0	-119.46	332.08	7.59	-111.87
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013225794	1	41	-2.0	-126.36	343.45	2.29	-124.07
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013225795	1	41	-2.0	-126.36	343.45	2.29	-124.07
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])=N2	REAL300013225796	1	50	-2.0	-125.39	412.21	9.48	-115.91
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)C(=O)[O-])=N2	REAL300013225797	1	40	-2.0	-107.27	332.02	5.45	-101.82
CCC(C)C(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225798	1	49	-2.0	-124.43	386.04	7.64	-116.79
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)CC(=O)[O-])=N2	REAL300013225799	1	40	-2.0	-119.46	332.08	7.59	-111.87
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013225800	1	47	-2.0	-138.67	366.31	9.92	-128.75
CCCC(C)(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225801	1	49	-2.0	-126.79	379.49	7.55	-119.24
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N2	REAL300013225802	1	46	-2.0	-121.57	364.11	8.90	-112.67
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013225803	1	44	-2.0	-122.13	359.14	8.91	-113.22
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225804	1	44	-2.0	-120.53	366.70	9.14	-111.39
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225805	1	49	-2.0	-121.58	390.05	9.85	-111.73
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC3=CC=CC=C3CC1C(=O)[O-])=N2	REAL300013225806	1	51	-2.0	-140.81	404.44	11.96	-128.85
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N2	REAL300013225807	1	43	-2.0	-103.96	344.59	5.85	-98.11
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1CC1)=N2	REAL300013225808	1	47	-2.0	-128.83	370.71	7.62	-121.21
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CS1)=N2	REAL300013225809	1	44	-2.0	-128.09	381.01	7.66	-120.43
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013225810	1	50	-2.0	-131.27	383.37	8.63	-122.64
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N2	REAL300013225811	1	46	-2.0	-121.57	364.11	8.90	-112.67
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225812	1	46	-2.0	-120.34	375.39	9.33	-111.01
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225813	1	43	-2.0	-120.54	353.89	8.57	-111.97
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013225814	1	41	-2.0	-126.27	342.96	2.30	-123.97
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225815	1	49	-2.0	-125.14	383.43	7.42	-117.72
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)C(=O)[O-])=N2	REAL300013225816	1	40	-2.0	-107.27	332.02	5.45	-101.82
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013225817	1	47	-2.0	-130.57	368.85	7.54	-123.03
CCC(C)(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225818	1	46	-2.0	-125.84	357.99	6.79	-119.05
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)=N2	REAL300013225819	1	51	-2.0	-135.14	407.97	9.69	-125.45
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013225820	1	50	-2.0	-133.43	398.10	9.29	-124.14
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N2	REAL300013225821	1	40	-2.0	-107.27	331.86	5.47	-101.80
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225822	1	43	-2.0	-120.54	353.89	8.57	-111.97
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225823	1	58	-2.0	-127.46	443.98	9.88	-117.58
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013225824	1	45	-2.0	-133.51	365.68	5.09	-128.42
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N2	REAL300013225825	1	40	-2.0	-107.29	332.02	5.45	-101.84
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC1)=N2	REAL300013225826	1	41	-2.0	-130.27	338.16	6.60	-123.67
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCOCC1C(=O)[O-])=N2	REAL300013225827	1	45	-2.0	-132.14	357.60	7.49	-124.65
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCCC1)=N2	REAL300013225828	1	53	-2.0	-130.52	394.77	10.36	-120.16
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013225829	1	44	-2.0	-125.31	363.58	7.01	-118.30
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013225830	1	50	-2.0	-124.38	399.56	10.52	-113.86
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225831	1	47	-2.0	-121.18	385.27	7.75	-113.43
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3=CC=CC=C31)=N2	REAL300013225832	1	51	-2.0	-139.56	404.72	9.59	-129.97
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013225833	1	44	-2.0	-132.26	355.19	8.21	-124.05
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC[C@@H]1C(=O)[O-])=N2	REAL300013225834	1	47	-2.0	-138.80	366.43	9.96	-128.84
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013225835	1	45	-2.0	-131.00	366.44	4.82	-126.18
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N2	REAL300013225836	1	43	-2.0	-113.36	346.48	7.71	-105.65
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013225837	1	44	-2.0	-132.37	355.16	8.22	-124.15
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC1)=N2	REAL300013225838	1	44	-2.0	-130.56	355.01	7.12	-123.44
C=CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225839	1	44	-2.0	-122.51	366.33	6.93	-115.58
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(C)C(=O)[O-])=N2	REAL300013225840	1	47	-2.0	-131.29	371.51	9.03	-122.26
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCCCC1C(=O)[O-])=N2	REAL300013225841	1	50	-2.0	-137.72	381.31	10.68	-127.04
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013225842	1	44	-2.0	-125.31	363.58	7.01	-118.30
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N2	REAL300013225843	1	43	-2.0	-113.88	345.92	7.76	-106.12
CCCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225844	1	49	-2.0	-123.38	396.01	8.03	-115.35
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC(O)=C1)=N2	REAL300013225845	1	48	-2.0	-131.41	401.00	5.68	-125.73
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@]1(C)C(=O)[O-])=N2	REAL300013225846	1	47	-2.0	-131.33	371.51	9.03	-122.30
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCCC1)=N2	REAL300013225847	1	53	-2.0	-130.52	394.77	10.36	-120.16
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013225848	1	50	-2.0	-121.10	390.24	10.15	-110.95
COCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225849	1	44	-2.0	-125.48	365.22	4.70	-120.78
CCCCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225850	1	52	-2.0	-123.64	418.34	8.79	-114.85
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2	REAL300013225851	1	49	-2.0	-125.23	383.03	7.59	-117.64
CCC1CCC(NC(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)(C(=O)[O-])CC1	REAL300013225852	1	56	-2.0	-131.75	422.43	9.88	-121.87
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)=N2	REAL300013225853	1	51	-2.0	-121.03	398.66	8.48	-112.55
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCC1)=N2	REAL300013225854	1	50	-2.0	-132.09	381.41	9.40	-122.69
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C(C)C(=O)[O-])C1CC1)=N2	REAL300013225855	1	47	-2.0	-115.45	364.92	8.79	-106.66
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C1CC1	REAL300013225856	1	50	-2.0	-118.07	388.69	10.48	-107.59
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1F)=N2	REAL300013225857	1	47	-2.0	-135.80	394.18	8.70	-127.10
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC3=CC=CC=C3C1C(=O)[O-])=N2	REAL300013225858	1	51	-2.0	-130.63	407.00	11.36	-119.27
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225859	1	46	-2.0	-120.34	375.39	9.33	-111.01
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C1CC1	REAL300013225860	1	51	-2.0	-115.64	402.38	9.84	-105.80
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C(C)C(=O)[O-])C1CCC1)=N2	REAL300013225861	1	50	-2.0	-112.79	387.90	9.72	-103.07
CCCN(C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(COC)C(=O)[O-]	REAL300013225862	1	53	-2.0	-127.95	417.96	10.19	-117.76
CCCN(C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(CC)C(=O)[O-]	REAL300013225863	1	52	-2.0	-124.70	403.54	11.29	-113.41
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225864	1	49	-2.0	-124.51	391.72	7.79	-116.72
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOCC1)=N2	REAL300013225865	1	48	-2.0	-126.50	374.79	6.14	-120.36
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225866	1	47	-2.0	-123.28	388.16	7.79	-115.49
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CF)C(=O)[O-])=N2	REAL300013225867	1	40	-2.0	-106.75	335.64	5.47	-101.28
CCC(CC)(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225868	1	49	-2.0	-127.95	374.66	7.68	-120.27
CCC(COC)(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225869	1	50	-2.0	-130.91	392.90	6.99	-123.92
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013225870	1	47	-2.0	-124.39	385.46	8.01	-116.38
COCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225871	1	47	-2.0	-120.99	387.52	5.52	-115.47
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N2	REAL300013225872	1	43	-2.0	-117.38	366.19	6.75	-110.63
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N2	REAL300013225873	1	43	-2.0	-117.56	359.61	6.62	-110.94
COC1(CC(NC(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)C(=O)[O-])CCC1	REAL300013225874	1	54	-2.0	-127.96	423.59	7.90	-120.06
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)=N2	REAL300013225875	1	51	-2.0	-121.03	398.66	8.48	-112.55
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCCC1)=N2	REAL300013225876	1	53	-2.0	-122.64	407.64	10.85	-111.79
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)=N2	REAL300013225877	1	53	-2.0	-132.03	397.18	9.01	-123.02
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N2	REAL300013225878	1	46	-2.0	-120.38	364.58	6.93	-113.45
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC3=C(C=CO3)C1C(=O)[O-])=N2	REAL300013225879	1	48	-2.0	-126.75	389.60	9.48	-117.27
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N2	REAL300013225880	1	43	-2.0	-113.40	347.00	7.81	-105.59
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)=N2	REAL300013225881	1	56	-2.0	-133.36	411.28	9.51	-123.85
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])C3)=N2	REAL300013225882	1	45	-2.0	-136.50	360.79	9.06	-127.44
COC1CN(C(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)C(C)(C(=O)[O-])C1	REAL300013225883	1	51	-2.0	-130.51	404.76	7.99	-122.52
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCOC1)C(=O)[O-])=N2	REAL300013225884	1	54	-2.0	-126.00	421.01	7.98	-118.02
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2	REAL300013225885	1	49	-2.0	-125.23	383.03	7.59	-117.64
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225886	1	44	-2.0	-120.42	383.12	7.51	-112.91
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225887	1	47	-2.0	-122.69	386.90	7.69	-115.00
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C3CCC1(C(=O)[O-])CC3)=N2	REAL300013225888	1	48	-2.0	-136.20	374.35	9.80	-126.40
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])=N2	REAL300013225889	1	45	-2.0	-130.70	366.46	4.81	-125.89
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])=N2	REAL300013225890	1	44	-2.0	-120.99	367.42	8.64	-112.35
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013225891	1	44	-2.0	-126.10	360.91	8.57	-117.53
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)C1	REAL300013225892	1	45	-2.0	-133.02	367.69	8.92	-124.10
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOCC1)C(=O)[O-])=N2	REAL300013225893	1	54	-2.0	-122.96	420.86	8.01	-114.95
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225894	1	49	-2.0	-124.51	391.72	7.79	-116.72
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)=N2	REAL300013225895	1	51	-2.0	-125.17	403.87	6.51	-118.66
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013225896	1	47	-2.0	-131.58	389.78	8.62	-122.96
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013225897	1	47	-2.0	-124.39	385.46	8.01	-116.38
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CN=CS1)C(=O)[O-])=N2	REAL300013225898	1	46	-2.0	-122.67	398.00	6.67	-116.00
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225899	1	55	-2.0	-124.10	435.91	9.30	-114.80
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCO1)C(=O)[O-])=N2	REAL300013225900	1	51	-2.0	-131.17	410.04	6.84	-124.33
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N2	REAL300013225901	1	44	-2.0	-127.62	362.47	3.35	-124.27
CSCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225902	1	44	-2.0	-123.41	377.32	6.87	-116.54
COC[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225903	1	44	-2.0	-125.40	365.22	4.70	-120.70
CC[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225904	1	43	-2.0	-122.76	353.85	6.46	-116.30
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225905	1	52	-2.0	-125.68	410.01	8.49	-117.19
C=CCCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225906	1	50	-2.0	-123.20	408.82	8.59	-114.61
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCSCC1C(=O)[O-])=N2	REAL300013225907	1	45	-2.0	-130.84	366.53	9.91	-120.93
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013225908	1	50	-2.0	-133.43	398.10	9.29	-124.14
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013225909	1	44	-2.0	-132.26	355.19	8.21	-124.05
CCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225910	1	46	-2.0	-123.32	375.35	7.22	-116.10
CC(C)[C@@H](NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225911	1	46	-2.0	-124.47	370.89	7.05	-117.42
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])=N2	REAL300013225912	1	48	-2.0	-139.24	377.25	10.18	-129.06
CCN(C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(C)(C)C(=O)[O-]	REAL300013225913	1	49	-2.0	-128.69	379.62	9.48	-119.21
CCCN(C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(C)C(=O)[O-]	REAL300013225914	1	49	-2.0	-123.44	388.07	10.42	-113.02
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225915	1	46	-2.0	-123.39	375.35	7.23	-116.16
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])=N2	REAL300013225916	1	48	-2.0	-133.15	377.90	9.55	-123.60
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013225917	1	47	-2.0	-131.69	390.02	8.54	-123.15
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N2	REAL300013225918	1	46	-2.0	-127.51	361.13	8.61	-118.90
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013225919	1	44	-2.0	-132.37	355.16	8.22	-124.15
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225922	1	52	-2.0	-125.68	410.01	8.49	-117.19
C#CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225923	1	42	-2.0	-122.49	359.29	6.89	-115.60
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N2	REAL300013225924	1	43	-2.0	-113.88	345.92	7.76	-106.12
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225925	1	50	-2.0	-124.61	406.53	8.37	-116.24
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])=N2	REAL300013225926	1	49	-2.0	-122.24	407.40	7.70	-114.54
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225927	1	53	-2.0	-117.54	418.30	8.85	-108.69
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225928	1	52	-2.0	-117.65	405.14	10.34	-107.31
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=N1)=N2	REAL300013225929	1	46	-2.0	-134.30	386.16	7.03	-127.27
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225930	1	53	-2.0	-134.19	408.99	10.94	-123.25
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=NC=C1)C(=O)[O-])=N2	REAL300013225933	1	49	-2.0	-122.24	407.40	7.70	-114.54
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1=CC=CN=C1)=N2	REAL300013225934	1	46	-2.0	-127.23	384.31	6.78	-120.45
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225935	1	51	-2.0	-132.15	400.86	9.29	-122.86
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225936	0	51	-2.0	-135.57	408.38	12.48	-123.09
C=CCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225937	1	47	-2.0	-123.28	388.16	7.79	-115.49
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1=NC=CS1)C(=O)[O-])=N2	REAL300013225938	1	46	-2.0	-124.65	398.56	6.54	-118.11
CC#CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225939	1	45	-2.0	-124.51	381.11	7.85	-116.66
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(=O)N(C)CC1C(=O)[O-])=N2	REAL300013225940	1	48	-2.0	-126.75	383.06	7.93	-118.82
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@]1(C)C(=O)[O-])=N2	REAL300013225941	1	47	-2.0	-131.28	371.53	9.03	-122.25
CC(C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225942	1	46	-2.0	-124.28	366.54	6.79	-117.49
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013225943	1	47	-2.0	-131.29	389.37	8.57	-122.72
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])=N2	REAL300013225944	1	50	-2.0	-129.10	399.45	7.83	-121.27
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N2	REAL300013225945	1	43	-2.0	-113.40	347.00	7.81	-105.59
CCC[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225946	1	46	-2.0	-123.18	374.51	7.26	-115.92
CCN(C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(C)C(=O)[O-]	REAL300013225947	1	46	-2.0	-115.89	365.36	8.64	-107.25
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013225948	1	50	-2.0	-121.10	390.24	10.15	-110.95
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225949	1	49	-2.0	-125.14	383.43	7.42	-117.72
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225950	1	46	-2.0	-114.74	366.34	8.91	-105.83
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(CO)C1)=N2	REAL300013225951	1	48	-2.0	-133.27	387.26	4.40	-128.87
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N2	REAL300013225952	1	56	-2.0	-130.15	437.84	7.72	-122.43
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC(C)C1)=N2	REAL300013225953	1	50	-2.0	-131.36	389.03	8.17	-123.19
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1(C)C)=N2	REAL300013225954	1	53	-2.0	-134.42	399.39	8.90	-125.52
COCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225955	1	47	-2.0	-120.99	387.52	5.52	-115.47
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C)(C)C1)=N2	REAL300013225956	1	50	-2.0	-132.58	391.42	8.83	-123.75
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1(C)CC1)=N2	REAL300013225957	1	47	-2.0	-127.24	375.30	7.80	-119.44
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N2	REAL300013225958	1	56	-2.0	-130.04	437.89	7.67	-122.37
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])=N2	REAL300013225959	1	45	-2.0	-139.36	366.50	4.98	-134.38
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOC1)=N2	REAL300013225960	1	48	-2.0	-121.91	381.08	5.40	-116.51
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])=N2	REAL300013225961	1	48	-2.0	-135.93	376.60	9.59	-126.34
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])CO3)=N2	REAL300013225962	1	46	-2.0	-131.61	368.30	7.26	-124.35
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(C)CCC1C(=O)[O-])=N2	REAL300013225963	1	50	-2.0	-139.37	387.29	10.45	-128.92
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CC1)=N2	REAL300013225964	1	44	-2.0	-127.29	361.48	8.34	-118.95
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])=N2	REAL300013225965	1	54	-2.0	-126.75	426.53	9.60	-117.15
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013225966	1	47	-2.0	-126.26	373.98	7.44	-118.82
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)=N2	REAL300013225967	1	53	-2.0	-128.59	407.58	8.67	-119.92
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013225968	1	47	-2.0	-126.26	373.98	7.44	-118.82
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)C1C(=O)[O-])=N2	REAL300013225969	1	47	-2.0	-132.89	368.20	9.03	-123.86
C=CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225970	1	44	-2.0	-122.51	366.33	6.93	-115.58
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCCO1)C(=O)[O-])=N2	REAL300013225971	1	54	-2.0	-128.13	426.09	8.19	-119.94
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)=N2	REAL300013225972	1	54	-2.0	-135.05	411.76	10.65	-124.40
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)=N2	REAL300013225973	1	54	-2.0	-127.54	403.87	7.44	-120.10
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC=CCC1)C(=O)[O-])=N2	REAL300013225974	1	54	-2.0	-126.75	426.53	9.60	-117.15
COC1CC(NC(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)(C(=O)[O-])C1	REAL300013225975	1	48	-2.0	-127.27	386.57	5.99	-121.28
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(F)(F)C1)=N2	REAL300013225976	1	44	-2.0	-123.81	363.41	7.15	-116.66
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)(C(=O)[O-])C1	REAL300013225977	1	48	-2.0	-133.30	386.93	6.38	-126.92
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225978	1	50	-2.0	-133.72	384.93	10.27	-123.45
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2	REAL300013225979	1	43	-2.0	-116.95	368.95	7.19	-109.76
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])=N2	REAL300013225980	1	51	-2.0	-124.31	407.65	6.47	-117.84
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])COC1)=N2	REAL300013225981	1	42	-2.0	-121.82	345.80	4.16	-117.66
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CC=CS1)C(=O)[O-])=N2	REAL300013225982	1	47	-2.0	-123.55	404.48	8.48	-115.07
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N2	REAL300013225983	1	49	-2.0	-127.27	372.90	7.42	-119.85
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013225984	1	45	-2.0	-137.53	361.77	9.65	-127.88
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013225985	1	48	-2.0	-136.41	377.81	9.11	-127.30
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCCCC1)C(=O)[O-])=N2	REAL300013225986	1	56	-2.0	-126.68	433.34	9.69	-116.99
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC3CCC1C3)=N2	REAL300013225987	1	54	-2.0	-129.49	415.65	9.32	-120.17
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])=N2	REAL300013225988	1	56	-2.0	-127.00	434.23	9.66	-117.34
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])=N2	REAL300013225989	1	56	-2.0	-126.68	433.34	9.69	-116.99
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC3(CCCC3)CC1C(=O)[O-])=N2	REAL300013225990	1	54	-2.0	-132.01	416.76	10.49	-121.52
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@H]3CCCC[C@H]3[C@@H]1C(=O)[O-])=N2	REAL300013225991	1	54	-2.0	-137.12	413.27	10.21	-126.91
C=CCSCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013225992	1	48	-2.0	-123.81	410.92	8.37	-115.44
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013225993	1	49	-2.0	-126.34	382.70	10.12	-116.22
COC1(C(NC(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)C(=O)[O-])CCC1	REAL300013225994	1	51	-2.0	-124.82	400.78	6.10	-118.72
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C(F)F)C1)=N2	REAL300013225995	1	47	-2.0	-129.81	386.83	7.96	-121.85
CC(C)C1CCC2=C(C1)SC(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300013225996	0	47	-2.0	-129.36	387.10	8.92	-120.44
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)=N2	REAL300013225996	1	46	-3.0	-209.44	383.86	7.72	-201.72
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013225997	1	44	-2.0	-126.10	360.91	8.57	-117.53
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C3C=CC(C3)C1C(=O)[O-])=N2	REAL300013225998	1	46	-2.0	-130.89	370.93	9.31	-121.58
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C)C1C(=O)[O-])=N2	REAL300013225999	1	50	-2.0	-135.57	388.42	9.26	-126.31
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC3(CCC3)CCC1C(=O)[O-])=N2	REAL300013226000	1	54	-2.0	-142.23	412.00	11.63	-130.60
CC(C)CCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013226001	1	52	-2.0	-123.79	413.58	8.55	-115.24
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC3(CCC3)CC1C(=O)[O-])=N2	REAL300013226002	1	51	-2.0	-133.16	404.08	10.03	-123.13
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])=N2	REAL300013226003	1	51	-2.0	-124.31	407.65	6.47	-117.84
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)C1	REAL300013226004	1	48	-2.0	-128.12	397.55	9.64	-118.48
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N2	REAL300013226005	1	44	-2.0	-118.42	357.79	3.00	-115.42
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013226006	1	41	-2.0	-126.27	342.96	2.30	-123.97
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC3CC31)=N2	REAL300013226007	1	51	-2.0	-134.20	389.20	9.26	-124.94
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3CC31)=N2	REAL300013226008	1	48	-2.0	-132.72	376.34	8.36	-124.36
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3(CCC3)C1)=N2	REAL300013226009	1	51	-2.0	-132.70	397.60	8.74	-123.96
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCC1)=N2	REAL300013226010	1	50	-2.0	-127.11	390.01	8.05	-119.06
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013226011	1	47	-2.0	-126.07	383.36	5.71	-120.36
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)=N2	REAL300013226012	1	47	-2.0	-133.20	376.84	8.14	-125.06
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CC=C1)=N2	REAL300013226013	1	50	-2.0	-123.55	412.89	11.58	-111.97
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(C)(C)CC1C(=O)[O-])=N2	REAL300013226014	1	50	-2.0	-131.08	394.70	9.33	-121.75
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(F)(F)CC1C(=O)[O-])=N2	REAL300013226015	1	47	-2.0	-129.17	377.78	10.07	-119.10
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(F)(F)C1C(=O)[O-])=N2	REAL300013226016	1	44	-2.0	-128.53	366.13	8.61	-119.92
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])=N2	REAL300013226017	1	47	-2.0	-122.77	402.26	8.42	-114.35
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(F)(F)CC1(C)C(=O)[O-])=N2	REAL300013226018	1	47	-2.0	-120.27	383.63	9.14	-111.13
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC1=CSC=C1)C(=O)[O-])=N2	REAL300013226019	1	47	-2.0	-122.77	402.26	8.42	-114.35
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013226020	1	51	-2.0	-137.44	392.73	9.87	-127.57
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=C(O)C=C1)=N2	REAL300013226021	1	48	-2.0	-128.39	401.04	5.69	-122.70
COCCCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013226022	1	50	-2.0	-124.10	408.18	6.32	-117.78
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1	REAL300013226023	1	49	-2.0	-115.87	387.84	9.68	-106.19
CCOCC(NC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013226024	1	47	-2.0	-126.25	387.56	5.68	-120.57
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N2	REAL300013226025	1	52	-2.0	-124.85	403.82	8.89	-115.96
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCCO1)=N2	REAL300013226026	1	51	-2.0	-130.07	404.33	6.60	-123.47
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)=N2	REAL300013226027	1	51	-2.0	-135.14	407.97	9.69	-125.45
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])=N2	REAL300013226028	1	48	-2.0	-134.44	377.83	8.17	-126.27
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N2	REAL300013226029	1	44	-2.0	-116.38	374.69	6.96	-109.42
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC1=CC=CO1)=N2	REAL300013226030	1	47	-2.0	-123.10	394.56	9.72	-113.38
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N2	REAL300013226031	1	43	-2.0	-113.36	346.48	7.71	-105.65
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)C1	REAL300013226032	1	51	-2.0	-134.29	409.62	8.43	-125.86
O=C([O-])C1CC(NC(=O)NC2=CC=NN2C2CCC2)(C(=O)[O-])C1	REAL300013226244	0	39	-2.0	-114.54	327.43	6.72	-107.82
C=C(C)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013226501	0	39	-2.0	-125.61	337.04	7.81	-117.80
O=C([O-])C1CC(NC(=O)NC2=CC=NN2C2CCOCC2)(C(=O)[O-])C1	REAL300013226825	0	43	-2.0	-114.09	354.09	5.57	-108.52
C#CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013227042	0	34	-2.0	-117.36	306.86	7.01	-110.35
O=C([O-])C1CC(NC(=O)NC2=CC=CC(COC3=CC=CC=C3)=C2)(C(=O)[O-])C1	REAL300013227308	0	46	-2.0	-125.58	392.26	9.21	-116.37
CC1(C)CCCC(C2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)C1	REAL300013227557	0	54	-2.0	-122.40	416.80	10.63	-111.77
COCC(C)(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227591	1	46	-2.0	-122.34	393.68	4.44	-117.90
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013227592	1	48	-2.0	-117.85	407.50	8.26	-109.59
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013227593	1	43	-2.0	-115.75	376.59	7.33	-108.42
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013227594	1	44	-2.0	-118.58	376.94	3.28	-115.30
C=CC(C)C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227595	1	46	-2.0	-116.36	402.82	6.00	-110.36
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013227596	1	45	-2.0	-117.18	386.42	5.48	-111.70
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013227597	1	46	-2.0	-130.12	383.90	8.21	-121.91
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCCC2C(=O)[O-])=N1	REAL300013227598	1	43	-2.0	-124.67	371.91	6.84	-117.83
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013227599	1	46	-2.0	-123.66	386.30	5.89	-117.77
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013227600	1	36	-2.0	-101.32	328.68	3.03	-98.29
CCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227601	1	42	-2.0	-116.29	371.05	4.93	-111.36
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N1	REAL300013227602	1	45	-2.0	-117.18	386.42	5.48	-111.70
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013227603	1	39	-2.0	-113.41	349.53	6.00	-107.41
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013227604	1	40	-2.0	-120.05	360.76	0.75	-119.30
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(CO)C(=O)[O-])=N1	REAL300013227605	1	40	-2.0	-120.05	360.76	0.75	-119.30
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013227606	1	39	-2.0	-102.67	349.46	3.86	-98.81
CCC(C)C(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227607	1	48	-2.0	-118.63	401.23	5.90	-112.73
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(C)CC(=O)[O-])=N1	REAL300013227608	1	39	-2.0	-113.41	349.53	6.00	-107.41
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013227609	1	46	-2.0	-130.12	383.90	8.21	-121.91
CCCC(C)(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227610	1	48	-2.0	-120.24	396.93	5.91	-114.33
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013227611	1	45	-2.0	-115.43	381.56	7.32	-108.11
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300013227612	1	43	-2.0	-115.75	376.59	7.33	-108.42
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1	REAL300013227613	1	43	-2.0	-116.81	384.15	7.54	-109.27
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013227614	1	48	-2.0	-117.85	407.50	8.26	-109.59
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C)(C)C(=O)[O-])=N1	REAL300013227615	1	42	-2.0	-100.41	362.04	4.25	-96.16
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013227616	1	46	-2.0	-121.98	385.53	5.85	-116.13
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N1	REAL300013227617	1	45	-2.0	-115.43	381.56	7.32	-108.11
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1	REAL300013227618	1	45	-2.0	-116.70	392.84	7.74	-108.96
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1	REAL300013227619	1	42	-2.0	-114.58	371.34	6.98	-107.60
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013227620	1	40	-2.0	-119.97	360.41	0.70	-119.27
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227621	1	48	-2.0	-118.72	402.53	5.84	-112.88
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C)C(=O)[O-])=N1	REAL300013227622	1	39	-2.0	-102.67	349.46	3.86	-98.81
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013227623	1	46	-2.0	-123.66	386.30	5.89	-117.77
CCC(C)(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227624	1	45	-2.0	-119.35	375.43	5.15	-114.20
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N1	REAL300013227625	1	39	-2.0	-102.66	349.46	3.86	-98.80
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1	REAL300013227626	1	42	-2.0	-114.58	371.34	6.98	-107.60
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013227627	1	44	-2.0	-125.57	383.16	3.46	-122.11
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@H](C)C(=O)[O-])=N1	REAL300013227628	1	39	-2.0	-102.80	349.78	3.81	-98.99
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CC2)=N1	REAL300013227629	1	40	-2.0	-123.00	355.61	4.94	-118.06
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013227630	1	44	-2.0	-123.80	375.02	5.83	-117.97
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013227631	1	43	-2.0	-118.92	377.68	5.37	-113.55
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1	REAL300013227632	1	46	-2.0	-117.95	402.71	6.15	-111.80
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013227633	1	43	-2.0	-125.02	372.65	6.59	-118.43
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013227634	1	46	-2.0	-130.20	383.82	8.29	-121.91
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013227635	1	44	-2.0	-123.42	383.14	3.47	-119.95
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013227636	1	42	-2.0	-107.87	363.93	6.11	-101.76
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013227637	1	43	-2.0	-124.66	371.88	6.85	-117.81
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300013227638	1	43	-2.0	-123.44	372.45	5.47	-117.97
C=CCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227639	1	43	-2.0	-116.34	384.57	5.32	-111.02
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013227640	1	46	-2.0	-124.77	389.05	7.40	-117.37
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300013227641	1	43	-2.0	-118.92	377.68	5.37	-113.55
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013227642	1	42	-2.0	-107.90	363.93	6.11	-101.79
CCCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227643	1	48	-2.0	-116.89	414.29	6.41	-110.48
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013227644	1	46	-2.0	-124.73	388.97	7.39	-117.34
COCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227645	1	43	-2.0	-118.95	383.15	3.11	-115.84
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013227646	1	48	-2.0	-119.14	402.09	5.98	-113.16
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)=N1	REAL300013227647	1	46	-2.0	-109.78	382.37	7.19	-102.59
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1	REAL300013227648	1	45	-2.0	-116.70	392.84	7.74	-108.96
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCC(=O)[O-])=N1	REAL300013227649	1	36	-2.0	-101.32	328.68	3.03	-98.29
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013227650	1	48	-2.0	-117.96	410.00	6.17	-111.79
C=CCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227651	1	46	-2.0	-116.62	405.36	6.26	-110.36
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(CF)C(=O)[O-])=N1	REAL300013227652	1	39	-2.0	-102.05	353.08	3.87	-98.18
CCC(CC)(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227653	1	48	-2.0	-121.32	391.82	6.04	-115.28
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013227654	1	46	-2.0	-117.69	402.90	6.43	-111.26
COCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227655	1	46	-2.0	-114.88	404.97	3.93	-110.95
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013227656	1	42	-2.0	-111.79	377.64	5.07	-106.72
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013227657	1	45	-2.0	-114.43	382.02	5.29	-109.14
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013227658	1	42	-2.0	-107.89	363.93	6.11	-101.78
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013227659	1	44	-2.0	-128.78	378.24	7.40	-121.38
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013227660	1	48	-2.0	-119.14	402.09	5.98	-113.16
C=C(C)CC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227661	1	46	-2.0	-116.40	404.20	6.24	-110.16
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013227662	1	44	-2.0	-124.09	383.94	3.20	-120.89
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013227663	1	43	-2.0	-119.50	378.36	6.94	-112.56
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(COC3=CC=CC=C3OC)=CS2)C1	REAL300013227664	1	44	-2.0	-125.57	385.11	7.29	-118.28
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013227665	1	48	-2.0	-117.96	410.00	6.17	-111.79
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013227666	1	46	-2.0	-117.69	402.90	6.43	-111.26
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300013227667	1	43	-2.0	-121.04	379.92	1.76	-119.28
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(CSC)C(=O)[O-])=N1	REAL300013227668	1	43	-2.0	-116.90	394.99	5.21	-111.69
COC[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227669	1	43	-2.0	-118.98	383.15	3.11	-115.87
CC[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227670	1	42	-2.0	-116.20	370.46	4.89	-111.31
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013227671	1	43	-2.0	-125.02	372.65	6.59	-118.43
CCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227672	1	45	-2.0	-116.78	392.79	5.63	-111.15
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300013227673	1	45	-2.0	-117.60	383.40	5.20	-112.40
CCN(C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(C)(C)C(=O)[O-]	REAL300013227674	1	48	-2.0	-122.54	397.07	7.85	-114.69
CCCN(C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(C)C(=O)[O-]	REAL300013227675	1	48	-2.0	-110.89	402.06	7.74	-103.15
CCC[C@@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227676	1	45	-2.0	-116.73	392.55	5.70	-111.03
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N1	REAL300013227677	1	45	-2.0	-121.23	378.57	6.99	-114.24
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300013227678	1	43	-2.0	-124.66	371.88	6.85	-117.81
C#CCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227680	1	41	-2.0	-116.00	377.32	5.34	-110.66
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(C)C(C)C(=O)[O-])=N1	REAL300013227681	1	42	-2.0	-107.90	363.93	6.11	-101.79
C=CCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227683	1	46	-2.0	-116.62	405.36	6.26	-110.36
CC#CCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227684	1	44	-2.0	-117.78	399.15	6.30	-111.48
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013227685	1	46	-2.0	-124.77	388.98	7.39	-117.38
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013227686	1	45	-2.0	-117.18	386.41	5.48	-111.70
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N1	REAL300013227687	1	42	-2.0	-107.89	363.93	6.11	-101.78
CCC[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227688	1	45	-2.0	-116.64	391.96	5.65	-110.99
CCN(C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(C)C(=O)[O-]	REAL300013227689	1	45	-2.0	-109.14	380.61	6.91	-102.23
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227690	1	48	-2.0	-118.72	402.53	5.84	-112.88
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1	REAL300013227691	1	45	-2.0	-109.51	383.79	7.31	-102.20
COCCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227692	1	46	-2.0	-114.88	404.97	3.93	-110.95
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013227693	1	46	-2.0	-119.88	400.08	5.95	-113.93
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013227694	1	44	-2.0	-131.98	383.94	3.39	-128.59
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CC2)=N1	REAL300013227695	1	43	-2.0	-117.75	377.94	6.64	-111.11
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013227696	1	46	-2.0	-119.25	398.06	5.92	-113.33
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013227697	1	46	-2.0	-119.25	398.06	5.92	-113.33
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300013227698	1	46	-2.0	-127.48	394.60	7.10	-120.38
C=CCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227699	1	43	-2.0	-116.34	384.57	5.32	-111.02
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC2(C(=O)[O-])COC2)=N1	REAL300013227700	1	41	-2.0	-115.33	363.24	2.51	-112.82
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300013227701	1	48	-2.0	-120.65	390.35	5.78	-114.87
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013227702	1	44	-2.0	-129.55	379.30	7.95	-121.60
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1	REAL300013227703	1	48	-2.0	-110.17	398.12	7.97	-102.20
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013227704	1	43	-2.0	-119.50	378.36	6.94	-112.56
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300013227705	1	43	-2.0	-120.92	379.18	2.37	-118.55
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300013227706	1	40	-2.0	-119.97	360.41	0.70	-119.27
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N1	REAL300013227707	1	46	-2.0	-119.69	400.80	4.12	-115.57
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300013227708	1	46	-2.0	-123.16	388.02	6.13	-117.03
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1	REAL300013227709	1	48	-2.0	-109.80	405.88	7.97	-101.83
CCOCC(NC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013227710	1	46	-2.0	-120.07	404.87	4.13	-115.94
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013227711	1	43	-2.0	-111.19	392.15	5.37	-105.82
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N1	REAL300013227712	1	42	-2.0	-107.87	363.93	6.11	-101.76
O=C([O-])C1CC(NC(=O)NC2=CC=NN2C2CC2)(C(=O)[O-])C1	REAL300013227893	0	36	-2.0	-120.93	312.67	6.28	-114.65
CN1CCOC2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C21	REAL300013228210	0	42	-2.0	-122.51	343.83	5.28	-117.23
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228260	1	51	-2.0	-117.37	407.27	6.85	-110.52
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228261	1	48	-2.0	-119.24	398.42	9.35	-109.89
CC1=CC=C(C(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(=O)[O-])C=C1	REAL300013228262	1	45	-2.0	-122.35	384.73	6.33	-116.02
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228263	1	38	-2.0	-108.72	342.87	4.35	-104.37
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCSCC1	REAL300013228264	1	43	-2.0	-114.62	354.39	5.37	-109.25
COCC(C)(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228265	1	42	-2.0	-119.09	349.57	3.15	-115.94
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228266	1	45	-2.0	-109.82	372.29	5.27	-104.55
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228267	1	44	-2.0	-117.24	363.38	6.97	-110.27
O=C([O-])CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CC1	REAL300013228268	1	39	-2.0	-113.02	332.48	6.04	-106.98
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228269	1	41	-2.0	-110.90	366.86	6.83	-104.07
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCOC1	REAL300013228270	1	40	-2.0	-115.89	333.77	1.96	-113.93
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCCCC1	REAL300013228271	1	48	-2.0	-118.98	380.92	5.79	-113.19
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=C(O)C=C1	REAL300013228272	1	43	-2.0	-119.08	374.11	2.87	-116.21
CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(COC1CCC1)C(=O)[O-]	REAL300013228273	1	49	-2.0	-111.28	399.45	6.67	-104.61
C=CCOCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228274	1	43	-2.0	-118.21	373.80	3.36	-114.85
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228275	1	43	-2.0	-131.39	347.55	4.38	-127.01
C=CC(C)C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228276	1	42	-2.0	-113.92	358.72	4.73	-109.19
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCOCC1	REAL300013228277	1	46	-2.0	-118.24	371.68	3.38	-114.86
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=C(F)C(F)=C1	REAL300013228278	1	42	-2.0	-112.23	376.02	5.78	-106.45
COC1CCN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(C(=O)[O-])C1	REAL300013228279	1	46	-2.0	-127.81	370.53	6.05	-121.76
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCCOC1	REAL300013228280	1	46	-2.0	-114.91	371.65	3.39	-111.52
CC1CCN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(C(=O)[O-])C1	REAL300013228281	1	45	-2.0	-127.01	360.67	7.53	-119.48
CC1=CC(C(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(=O)[O-])=CC=C1F	REAL300013228282	1	45	-2.0	-115.04	389.82	6.43	-108.61
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(=O)[O-])=C1	REAL300013228283	1	48	-2.0	-124.31	406.14	6.98	-117.33
CC1=CC=C(C(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(=O)[O-])C=C1C	REAL300013228284	1	48	-2.0	-123.90	401.54	6.94	-116.96
CC(C)C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228285	1	41	-2.0	-114.96	338.63	3.99	-110.97
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228286	1	42	-2.0	-126.41	339.63	6.97	-119.44
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=C(Cl)C=C1	REAL300013228287	1	42	-2.0	-115.18	380.05	6.18	-109.00
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228288	1	40	-2.0	-118.82	339.86	6.96	-111.86
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCCCC1	REAL300013228289	1	45	-2.0	-121.02	356.70	5.70	-115.32
O=C([O-])C1CCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228290	1	39	-2.0	-122.25	328.73	5.52	-116.73
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCCC1	REAL300013228291	1	42	-2.0	-120.40	342.19	4.60	-115.80
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCCCCC1	REAL300013228292	1	48	-2.0	-121.53	362.36	6.36	-115.17
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228293	1	45	-2.0	-116.10	384.73	6.61	-109.49
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228294	1	45	-2.0	-118.98	386.22	8.70	-110.28
O=C([O-])[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=CC=C1	REAL300013228295	1	42	-2.0	-121.91	363.12	5.73	-116.18
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=CC=C1	REAL300013228296	1	42	-2.0	-122.05	363.34	5.66	-116.39
CCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228297	1	38	-2.0	-113.90	327.18	3.58	-110.32
CC(C)C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228298	1	41	-2.0	-114.96	338.63	3.99	-110.97
O=C([O-])C(CO)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228299	1	36	-2.0	-117.79	316.65	-0.54	-118.33
O=C([O-])C(CO)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228300	1	36	-2.0	-117.79	316.65	-0.54	-118.33
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228301	1	45	-2.0	-116.10	384.73	6.61	-109.49
CCC(C)C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228302	1	44	-2.0	-116.20	357.13	4.61	-111.59
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228303	1	42	-2.0	-126.41	339.63	6.97	-119.44
CCCC(C)(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228304	1	44	-2.0	-117.04	352.82	4.62	-112.42
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228305	1	41	-2.0	-112.76	337.45	6.03	-106.73
O=C([O-])CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CC1	REAL300013228306	1	39	-2.0	-113.02	332.48	6.04	-106.98
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228307	1	39	-2.0	-116.23	340.03	6.25	-109.98
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228308	1	44	-2.0	-117.24	363.38	6.97	-110.27
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228309	1	46	-2.0	-128.48	378.18	9.12	-119.36
CC(C)(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228310	1	38	-2.0	-98.70	317.93	2.96	-95.74
CC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)(C(=O)[O-])C1CC1	REAL300013228311	1	42	-2.0	-118.97	344.04	4.69	-114.28
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=CS1	REAL300013228312	1	39	-2.0	-119.09	354.73	4.81	-114.28
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCCCC1	REAL300013228313	1	45	-2.0	-121.02	356.70	5.70	-115.32
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228314	1	41	-2.0	-112.76	337.45	6.03	-106.73
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228315	1	41	-2.0	-116.15	348.72	6.45	-109.70
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228316	1	38	-2.0	-111.96	327.22	5.69	-106.27
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228317	1	36	-2.0	-117.80	316.79	-0.58	-118.38
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228318	1	44	-2.0	-116.25	357.70	4.59	-111.66
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCCC1	REAL300013228319	1	42	-2.0	-120.40	342.19	4.60	-115.80
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228320	1	45	-2.0	-108.88	386.58	8.47	-100.41
CCC(C)(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228321	1	41	-2.0	-116.17	331.32	3.87	-112.30
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC2=CC=CC=C2C1	REAL300013228322	1	46	-2.0	-124.27	381.30	6.75	-117.52
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC(F)=CC=C1F	REAL300013228323	1	42	-2.0	-121.40	374.15	5.82	-115.58
CC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013228324	1	45	-2.0	-123.39	371.44	6.37	-117.02
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228325	1	38	-2.0	-111.96	327.22	5.69	-106.27
CCCCCCC(C)(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228326	1	53	-2.0	-117.80	417.32	6.96	-110.84
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228327	1	40	-2.0	-123.72	340.20	2.14	-121.58
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC1	REAL300013228328	1	36	-2.0	-119.54	311.51	3.66	-115.88
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=C(Cl)C=C1	REAL300013228329	1	42	-2.0	-115.18	380.05	6.18	-109.00
O=C([O-])C1COCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228330	1	40	-2.0	-120.28	330.90	4.54	-115.74
CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013228331	1	48	-2.0	-120.59	368.12	7.45	-113.14
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CC1	REAL300013228332	1	39	-2.0	-116.40	334.52	4.04	-112.36
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228333	1	48	-2.0	-118.92	408.63	9.47	-109.45
CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013228334	1	45	-2.0	-116.05	375.73	8.12	-107.93
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228335	1	42	-2.0	-117.49	358.60	4.86	-112.63
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCC2=CC=CC=C21	REAL300013228336	1	46	-2.0	-128.72	378.25	6.66	-122.06
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228337	1	39	-2.0	-122.67	330.19	5.20	-117.47
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228338	1	42	-2.0	-126.73	343.20	6.49	-120.24
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228339	1	40	-2.0	-121.38	340.78	2.06	-119.32
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228340	1	38	-2.0	-105.84	320.32	4.93	-100.91
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228341	1	39	-2.0	-121.64	328.09	5.54	-116.10
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCC1	REAL300013228342	1	39	-2.0	-120.10	328.34	4.18	-115.92
C=CCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228343	1	39	-2.0	-113.91	340.22	4.10	-109.81
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228344	1	42	-2.0	-121.56	344.94	6.11	-115.45
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228345	1	45	-2.0	-125.78	354.80	7.59	-118.19
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CC1	REAL300013228346	1	39	-2.0	-116.40	334.52	4.04	-112.36
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228347	1	38	-2.0	-105.84	320.32	4.93	-100.91
CCCCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228348	1	44	-2.0	-114.52	370.18	5.12	-109.40
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=CC(O)=C1	REAL300013228349	1	43	-2.0	-120.96	374.14	2.87	-118.09
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228350	1	48	-2.0	-118.92	408.63	9.47	-109.45
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228351	1	42	-2.0	-121.57	344.87	6.11	-115.46
CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1(C(=O)[O-])CCCCC1	REAL300013228352	1	48	-2.0	-120.59	368.12	7.45	-113.14
O=C([O-])CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCCC1	REAL300013228353	1	45	-2.0	-117.30	363.56	7.25	-110.05
COCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228354	1	39	-2.0	-116.76	338.91	1.87	-114.89
CCCCCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228355	1	47	-2.0	-114.57	391.68	5.90	-108.67
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228356	1	44	-2.0	-116.01	356.36	4.71	-111.30
CCC1CCC(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)(C(=O)[O-])CC1	REAL300013228357	1	51	-2.0	-121.43	395.77	6.94	-114.49
O=C([O-])CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCOCC1	REAL300013228358	1	46	-2.0	-117.09	372.00	5.58	-111.51
CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1(C(=O)[O-])CCCC1	REAL300013228359	1	45	-2.0	-124.62	356.09	6.78	-117.84
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CC1	REAL300013228360	1	42	-2.0	-105.14	344.95	7.39	-97.75
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CC1	REAL300013228361	1	45	-2.0	-110.34	362.04	7.60	-102.74
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=CC=C1Cl	REAL300013228362	1	42	-2.0	-122.16	375.32	6.08	-116.08
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=CC=C1F	REAL300013228363	1	42	-2.0	-125.67	367.51	5.82	-119.85
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228364	1	46	-2.0	-121.14	380.31	8.41	-112.73
CC1=CC=CC(C(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(=O)[O-])=C1C	REAL300013228365	1	48	-2.0	-123.11	394.09	6.79	-116.32
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228366	1	41	-2.0	-116.15	348.72	6.45	-109.70
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CC1	REAL300013228367	1	46	-2.0	-107.97	375.73	6.96	-101.01
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCC1	REAL300013228368	1	45	-2.0	-121.35	359.97	7.94	-113.41
CCCN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(COC)C(=O)[O-]	REAL300013228369	1	48	-2.0	-112.42	387.50	6.10	-106.32
CCCN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(CC)C(=O)[O-]	REAL300013228370	1	47	-2.0	-108.48	375.00	7.31	-101.17
CC(C)C[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228371	1	44	-2.0	-115.68	365.84	4.94	-110.74
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCOCC1	REAL300013228372	1	43	-2.0	-116.84	348.13	3.21	-113.63
C=CCCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228373	1	42	-2.0	-114.14	361.25	4.97	-109.17
O=C([O-])C(CF)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228374	1	35	-2.0	-100.38	309.29	2.55	-97.83
CCC(CC)(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228375	1	44	-2.0	-118.06	347.70	4.75	-113.31
COC1=CC=C(C(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(=O)[O-])C=C1	REAL300013228376	1	46	-2.0	-119.54	392.57	5.04	-114.50
CCC(COC)(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228377	1	45	-2.0	-120.95	366.24	4.06	-116.89
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228378	1	42	-2.0	-115.06	359.30	5.00	-110.06
COCCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228379	1	42	-2.0	-112.46	360.61	2.70	-109.76
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228380	1	38	-2.0	-108.85	339.53	3.86	-104.99
CCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013228381	1	48	-2.0	-124.62	388.15	7.24	-117.38
COC1CCCC(C(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(=O)[O-])C1	REAL300013228382	1	52	-2.0	-120.07	418.29	5.03	-115.04
O=C([O-])C(CCF)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228383	1	38	-2.0	-109.36	333.77	3.72	-105.64
COC1(CC(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(=O)[O-])CCC1	REAL300013228384	1	49	-2.0	-119.20	397.15	4.92	-114.28
O=C([O-])CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCOCC1	REAL300013228385	1	46	-2.0	-117.09	372.00	5.58	-111.51
O=C([O-])CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCCCC1	REAL300013228386	1	48	-2.0	-118.66	380.95	7.96	-110.70
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)(C(=O)[O-])CC1	REAL300013228387	1	48	-2.0	-121.73	370.49	6.09	-115.64
COC1=CC=CC(C(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(=O)[O-])=C1	REAL300013228388	1	46	-2.0	-123.56	392.86	4.95	-118.61
CC(CCF)(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228389	1	41	-2.0	-111.22	337.91	4.01	-107.21
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC(CC3CCOC3)=CS1)OC=C2	REAL300013228390	1	43	-2.0	-117.59	362.93	6.59	-111.00
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(=O)[O-])=C1	REAL300013228391	1	46	-2.0	-123.44	392.22	4.99	-118.45
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228392	1	38	-2.0	-105.90	319.82	4.83	-101.07
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C1	REAL300013228393	1	48	-2.0	-121.82	394.54	7.55	-114.27
CC1(C)CCCC(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)(C(=O)[O-])C1	REAL300013228394	1	51	-2.0	-122.85	384.62	6.57	-116.28
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228395	1	40	-2.0	-125.17	334.11	6.09	-119.08
COC1CN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(C)(C(=O)[O-])C1	REAL300013228396	1	46	-2.0	-121.13	378.11	5.07	-116.06
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228397	1	49	-2.0	-116.94	394.11	5.16	-111.78
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228398	1	44	-2.0	-116.01	356.36	4.71	-111.30
C=C(Cl)CC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228399	1	39	-2.0	-112.42	355.65	4.70	-107.72
C=C(C)CC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228400	1	42	-2.0	-113.93	358.75	4.88	-109.05
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228401	1	43	-2.0	-125.12	348.61	6.81	-118.31
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228402	1	40	-2.0	-120.82	340.96	1.91	-118.91
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228403	1	39	-2.0	-111.55	341.08	5.70	-105.85
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228404	1	39	-2.0	-117.43	335.41	5.64	-111.79
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C1	REAL300013228405	1	40	-2.0	-123.11	342.05	5.74	-117.37
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228406	1	49	-2.0	-115.08	397.81	4.42	-110.66
CC(C)C[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228407	1	44	-2.0	-115.68	365.84	4.94	-110.74
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCOCC1	REAL300013228408	1	46	-2.0	-118.24	371.68	3.38	-114.86
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=CC=C1	REAL300013228409	1	42	-2.0	-122.05	363.34	5.66	-116.39
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228410	1	42	-2.0	-115.06	359.30	5.00	-110.06
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228411	1	41	-2.0	-112.84	372.11	3.79	-109.05
CC(C)CCCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228412	1	50	-2.0	-114.96	409.25	6.41	-108.55
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228413	1	46	-2.0	-120.75	381.17	4.55	-116.20
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228414	1	39	-2.0	-118.97	335.68	0.52	-118.45
CSCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228415	1	39	-2.0	-114.51	350.88	3.92	-110.59
COC[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228416	1	39	-2.0	-117.32	339.49	1.78	-115.54
CC[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228417	1	38	-2.0	-113.96	327.18	3.58	-110.38
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228418	1	45	-2.0	-112.04	391.79	6.73	-105.31
CCC(C)CC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228419	1	47	-2.0	-115.64	383.88	5.60	-110.04
C=CCCCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228420	1	45	-2.0	-114.35	382.75	5.75	-108.60
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228421	1	45	-2.0	-112.12	391.72	6.72	-105.40
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228422	1	40	-2.0	-118.82	339.86	6.96	-111.86
CC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013228423	1	45	-2.0	-123.39	371.44	6.37	-117.02
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228424	1	39	-2.0	-122.67	330.19	5.20	-117.47
CCCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228425	1	41	-2.0	-114.39	348.68	4.34	-110.05
CC(C)[C@@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228426	1	41	-2.0	-114.96	338.62	3.99	-110.97
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228427	1	43	-2.0	-127.34	350.51	7.20	-120.14
CCN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(C)(C)C(=O)[O-]	REAL300013228428	1	44	-2.0	-118.96	352.96	6.56	-112.40
CCCN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(C)C(=O)[O-]	REAL300013228429	1	44	-2.0	-109.99	358.46	6.56	-103.43
CCC[C@@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228430	1	41	-2.0	-114.20	348.44	4.41	-109.79
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228431	1	43	-2.0	-128.17	354.59	6.22	-121.95
O=C([O-])[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=CC=C1	REAL300013228432	1	42	-2.0	-121.91	363.12	5.73	-116.18
CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(C)(C)C(=O)[O-]	REAL300013228433	1	41	-2.0	-117.80	334.46	5.70	-112.10
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228434	1	39	-2.0	-121.64	328.09	5.54	-116.10
CCC(C)CC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228437	1	47	-2.0	-115.64	383.88	5.60	-110.04
C#CCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228438	1	37	-2.0	-113.76	333.45	3.99	-109.77
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228439	1	48	-2.0	-114.65	390.42	8.53	-106.12
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228440	1	38	-2.0	-105.84	320.32	4.93	-100.91
CC(C)=CCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228441	1	45	-2.0	-116.00	379.83	5.49	-110.51
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228442	1	44	-2.0	-113.37	380.67	4.84	-108.53
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228443	1	48	-2.0	-110.61	392.56	6.02	-104.59
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228444	1	47	-2.0	-108.03	378.63	7.36	-100.67
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=CC=N1	REAL300013228445	1	41	-2.0	-125.10	359.48	4.15	-120.95
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228446	1	48	-2.0	-124.25	382.34	8.02	-116.23
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228447	1	48	-2.0	-114.57	390.36	8.53	-106.04
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228450	1	44	-2.0	-113.37	380.67	4.84	-108.53
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=CN=C1	REAL300013228451	1	41	-2.0	-118.61	358.00	3.94	-114.67
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228452	1	46	-2.0	-122.86	373.35	6.29	-116.57
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228453	0	46	-2.0	-125.02	381.72	9.56	-115.46
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228454	1	47	-2.0	-114.07	402.64	5.62	-108.45
C=CCCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228455	1	42	-2.0	-114.14	361.25	4.97	-109.17
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228456	1	41	-2.0	-115.43	372.13	3.59	-111.84
CC#CCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228457	1	40	-2.0	-115.50	355.04	5.01	-110.49
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC1=O	REAL300013228458	1	43	-2.0	-116.26	356.28	4.89	-111.37
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228459	1	42	-2.0	-120.85	348.49	5.74	-115.11
CC(C)[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228460	1	41	-2.0	-115.44	344.22	4.15	-111.29
O=C([O-])[C@@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=CC=C1	REAL300013228461	1	42	-2.0	-122.08	363.31	5.65	-116.43
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228462	1	45	-2.0	-119.19	372.79	4.90	-114.29
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228463	1	38	-2.0	-105.90	319.82	4.83	-101.07
CCC[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228464	1	41	-2.0	-114.35	348.44	4.41	-109.94
CCN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(C)C(=O)[O-]	REAL300013228465	1	41	-2.0	-106.98	336.98	5.72	-101.26
O=C([O-])CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCCC1	REAL300013228466	1	45	-2.0	-117.30	363.56	7.25	-110.05
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228467	1	44	-2.0	-116.25	357.70	4.59	-111.66
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228468	1	41	-2.0	-107.37	339.68	6.02	-101.35
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC(CO)C1	REAL300013228469	1	43	-2.0	-122.63	361.53	1.43	-121.20
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228470	1	51	-2.0	-121.06	410.66	4.89	-116.17
CC1CCC(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)(C(=O)[O-])C1	REAL300013228471	1	45	-2.0	-121.60	362.23	5.20	-116.40
CC1(C)CCCC1(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228472	1	48	-2.0	-123.78	371.05	5.83	-117.95
COCCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228473	1	42	-2.0	-112.46	360.61	2.70	-109.76
CC1(C)CC(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)(C(=O)[O-])C1	REAL300013228474	1	45	-2.0	-121.80	364.74	5.88	-115.92
CC1(C(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(=O)[O-])CC1	REAL300013228475	1	42	-2.0	-117.28	355.91	4.71	-112.57
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228476	1	51	-2.0	-120.90	411.52	4.81	-116.09
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228477	1	40	-2.0	-128.84	342.55	1.72	-127.12
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCOC1	REAL300013228478	1	43	-2.0	-111.57	357.28	2.61	-108.96
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228479	1	43	-2.0	-125.01	350.19	6.70	-118.31
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC(CC3CCOC3)=CS1)C2	REAL300013228480	1	41	-2.0	-120.95	342.70	4.21	-116.74
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C1	REAL300013228481	1	45	-2.0	-127.46	361.57	7.46	-120.00
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228482	1	48	-2.0	-117.18	400.50	6.92	-110.26
CN(C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1(C(=O)[O-])CC1	REAL300013228483	1	39	-2.0	-117.64	334.81	5.45	-112.19
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228484	1	49	-2.0	-117.18	399.77	6.79	-110.39
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCC1	REAL300013228485	1	42	-2.0	-116.83	353.95	4.63	-112.20
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCCCC1	REAL300013228486	1	48	-2.0	-118.98	380.92	5.79	-113.19
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCC1	REAL300013228487	1	42	-2.0	-116.83	353.95	4.63	-112.20
CC1CCN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C1C(=O)[O-]	REAL300013228488	1	42	-2.0	-122.48	341.54	6.09	-116.39
C=CCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228489	1	39	-2.0	-113.91	340.22	4.10	-109.81
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228490	1	49	-2.0	-120.12	402.33	4.73	-115.39
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228491	1	49	-2.0	-133.16	379.70	7.76	-125.40
CC1(C)CC(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)(C(=O)[O-])CCO1	REAL300013228492	1	49	-2.0	-117.87	377.24	4.51	-113.36
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228493	1	49	-2.0	-117.18	399.77	6.79	-110.39
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228494	1	45	-2.0	-113.39	392.96	6.62	-106.77
COC1CC(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)(C(=O)[O-])C1	REAL300013228495	1	43	-2.0	-120.07	361.65	3.14	-116.93
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC(F)(F)C1	REAL300013228496	1	39	-2.0	-114.04	336.90	4.21	-109.83
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)(C(=O)[O-])C1	REAL300013228497	1	43	-2.0	-116.46	363.47	2.66	-113.80
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1(C(F)(F)F)CC1	REAL300013228498	1	42	-2.0	-115.15	368.43	5.07	-110.08
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228499	1	45	-2.0	-123.47	358.15	7.31	-116.16
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228500	1	38	-2.0	-108.72	342.87	4.35	-104.37
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228501	1	46	-2.0	-114.75	382.47	3.72	-111.03
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)COC1	REAL300013228502	1	37	-2.0	-112.29	319.14	1.22	-111.07
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228503	1	42	-2.0	-114.64	377.49	5.65	-108.99
CC(C)C(C)(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228504	1	44	-2.0	-117.59	348.05	4.55	-113.04
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228505	1	40	-2.0	-126.02	335.51	6.65	-119.37
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228506	1	43	-2.0	-125.40	354.36	5.92	-119.48
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228507	1	48	-2.0	-114.57	390.36	8.53	-106.04
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228508	1	51	-2.0	-117.37	407.27	6.85	-110.52
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228509	1	48	-2.0	-116.52	407.76	7.39	-109.13
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228510	1	48	-2.0	-116.52	408.35	7.43	-109.09
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CC2CCC1C2	REAL300013228511	1	49	-2.0	-120.08	389.91	6.42	-113.66
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228512	1	51	-2.0	-117.47	407.54	6.79	-110.68
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228513	1	51	-2.0	-117.38	406.67	6.79	-110.59
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228514	1	49	-2.0	-128.16	390.09	7.60	-120.56
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228515	1	49	-2.0	-125.93	385.52	7.39	-118.54
C=CCSCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228516	1	43	-2.0	-115.23	385.16	5.38	-109.85
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228517	1	44	-2.0	-107.61	353.50	6.58	-101.03
COC1(C(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C(=O)[O-])CCC1	REAL300013228518	1	46	-2.0	-115.79	374.80	3.24	-112.55
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC(C(F)F)C1	REAL300013228519	1	42	-2.0	-119.98	360.14	5.01	-114.97
O=C([O-])C1CC(NC(=O)NC2=NC(CC3CCOC3)=CS2)(C(=O)[O-])C1	REAL300013228520	0	42	-2.0	-117.36	360.43	5.98	-111.38
O=C([O-])C1CC(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)(C(=O)[O-])C1	REAL300013228520	1	41	-3.0	-197.13	357.53	4.75	-192.38
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228521	1	39	-2.0	-117.43	335.41	5.64	-111.79
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228522	1	41	-2.0	-125.68	343.63	6.42	-119.26
CC1(C)CCN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C1C(=O)[O-]	REAL300013228523	1	45	-2.0	-124.91	361.75	6.34	-118.57
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228524	1	49	-2.0	-128.92	384.02	8.53	-120.39
CC(C)CCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228525	1	47	-2.0	-114.88	387.50	5.71	-109.17
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228526	1	46	-2.0	-128.65	375.98	7.10	-121.55
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228527	1	46	-2.0	-114.75	382.47	3.72	-111.03
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C1	REAL300013228528	1	43	-2.0	-118.33	372.25	6.65	-111.68
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228529	1	39	-2.0	-110.40	333.10	0.22	-110.18
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228530	1	36	-2.0	-117.80	316.79	-0.58	-118.38
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCCC2CC21	REAL300013228531	1	46	-2.0	-122.40	365.02	6.07	-116.33
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCC2CC21	REAL300013228532	1	43	-2.0	-121.69	350.82	5.20	-116.49
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC2(CCC2)C1	REAL300013228533	1	46	-2.0	-121.88	370.93	5.80	-116.08
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC(CC3CCOC3)=CS1)CCCCC2	REAL300013228534	1	52	-2.0	-129.39	404.28	8.08	-121.31
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCCC1	REAL300013228535	1	45	-2.0	-117.81	363.39	5.11	-112.70
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228536	1	42	-2.0	-117.38	356.70	2.83	-114.55
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228537	1	42	-2.0	-119.62	347.18	4.42	-115.20
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228538	1	45	-2.0	-118.98	386.22	8.70	-110.28
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C1	REAL300013228539	1	45	-2.0	-127.51	368.04	6.43	-121.08
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228540	1	42	-2.0	-117.36	351.11	7.12	-110.24
O=C([O-])C1N(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCC1(F)F	REAL300013228541	1	39	-2.0	-118.56	339.46	5.69	-112.87
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228542	1	45	-2.0	-113.39	392.96	6.62	-106.77
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228543	1	42	-2.0	-114.21	376.20	5.60	-108.61
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228544	1	42	-2.0	-115.51	357.37	6.31	-109.20
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228545	1	42	-2.0	-114.21	376.20	5.60	-108.61
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228546	1	46	-2.0	-126.00	366.91	6.77	-119.23
O=C([O-])[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=CC=C(O)C=C1	REAL300013228547	1	43	-2.0	-119.00	374.11	2.88	-116.12
COCCCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228548	1	45	-2.0	-115.28	382.35	3.41	-111.87
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228549	1	44	-2.0	-107.62	362.26	6.79	-100.83
CCOCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228550	1	42	-2.0	-117.54	360.90	2.79	-114.75
CC(C)(C)CC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228551	1	47	-2.0	-115.81	377.77	6.05	-109.76
O=C([O-])C(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1CCCCO1	REAL300013228552	1	46	-2.0	-121.04	377.67	3.72	-117.32
O=C([O-])C1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC2=CC=CC=C2C1	REAL300013228553	1	46	-2.0	-124.27	381.30	6.75	-117.52
C[C@H]1OCCN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)[C@@H]1C(=O)[O-]	REAL300013228554	1	43	-2.0	-123.23	355.02	4.75	-118.48
N#CCCC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228555	1	39	-2.0	-108.57	348.04	4.08	-104.49
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228556	1	42	-2.0	-116.56	367.89	6.84	-109.72
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013228557	1	38	-2.0	-105.84	320.32	4.93	-100.91
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C1	REAL300013228558	1	46	-2.0	-124.89	386.63	5.11	-119.78
C=CCN(C(=O)[N-]C1=NC=C(CCOC)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013228559	1	48	-2.0	-108.47	410.06	9.44	-99.03
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300013228560	1	41	-2.0	-121.22	383.96	6.12	-115.10
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])S1	REAL300013228561	1	47	-2.0	-124.97	413.09	7.80	-117.17
COCCC1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013228562	1	47	-2.0	-120.68	390.55	6.01	-114.67
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013228563	1	44	-2.0	-117.05	382.29	8.57	-108.48
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300013228564	1	41	-2.0	-125.88	368.59	5.53	-120.35
COCCC1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013228565	1	34	-2.0	-111.48	326.74	3.56	-107.92
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300013228566	1	44	-2.0	-128.70	392.92	7.20	-121.50
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300013228567	1	39	-2.0	-118.52	338.26	4.65	-113.87
COCCC1=CN=C([N-]C(=O)NC(C)(COC)C(=O)[O-])S1	REAL300013228568	1	38	-2.0	-123.11	333.44	2.40	-120.71
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CCOC)S1	REAL300013228569	1	41	-2.0	-111.72	355.55	4.39	-107.33
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300013228570	1	40	-2.0	-113.96	347.01	5.96	-108.00
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CCOC)S1	REAL300013228571	1	47	-2.0	-114.31	392.49	8.57	-105.74
COCCC1=CN=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300013228572	1	37	-2.0	-108.94	350.73	6.05	-102.89
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300013228573	1	36	-2.0	-119.07	316.70	1.26	-117.81
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013228574	1	44	-2.0	-122.27	364.13	5.07	-117.20
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013228575	1	39	-2.0	-122.35	358.00	2.08	-120.27
COCCC1=CN=C([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])S1	REAL300013228576	1	45	-2.0	-113.35	383.32	5.88	-107.47
COCCC1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)S1	REAL300013228577	1	45	-2.0	-126.53	386.47	9.14	-117.39
C=CCOCC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228578	1	39	-2.0	-121.42	357.53	2.63	-118.79
COCCC1=CN=C([N-]C(=O)N2CCCC(O)C2C(=O)[O-])S1	REAL300013228579	1	39	-2.0	-137.27	331.42	3.65	-133.62
C=CC(C)C(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228580	1	38	-2.0	-116.56	341.07	3.95	-112.61
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013228581	1	42	-2.0	-121.87	355.54	2.60	-119.27
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300013228582	1	38	-2.0	-114.92	359.94	4.98	-109.94
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300013228583	1	38	-2.0	-115.67	369.83	5.43	-110.24
COCCC1=CN=C([N-]C(=O)N2CCC(OC)CC2C(=O)[O-])S1	REAL300013228584	1	42	-2.0	-131.68	356.13	5.22	-126.46
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)S1	REAL300013228585	1	42	-2.0	-117.78	354.94	2.69	-115.09
COCCC1=CN=C([N-]C(=O)N2CCC(C)CC2C(=O)[O-])S1	REAL300013228586	1	41	-2.0	-133.47	337.85	6.59	-126.88
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)S1	REAL300013228587	1	41	-2.0	-118.47	373.92	5.56	-112.91
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300013228588	1	43	-2.0	-123.96	383.12	4.72	-119.24
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300013228589	1	44	-2.0	-127.57	389.41	6.23	-121.34
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)S1	REAL300013228590	1	44	-2.0	-127.62	385.41	6.15	-121.47
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)S1	REAL300013228591	1	43	-2.0	-122.88	386.85	2.02	-120.86
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)S1	REAL300013228592	1	42	-2.0	-121.20	392.51	4.80	-116.40
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S1	REAL300013228593	1	37	-2.0	-118.36	322.49	3.20	-115.16
COCCC1=CN=C([N-]C(=O)N2CCCCC2C(=O)[O-])S1	REAL300013228594	1	38	-2.0	-132.39	323.65	6.20	-126.19
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013228595	1	38	-2.0	-118.42	363.96	5.38	-113.04
COCCC1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013228596	1	36	-2.0	-124.78	323.73	6.25	-118.53
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013228597	1	41	-2.0	-125.07	340.56	4.96	-120.11
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300013228598	1	38	-2.0	-124.60	326.05	3.86	-120.74
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300013228599	1	44	-2.0	-125.79	346.23	5.62	-120.17
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013228600	1	41	-2.0	-119.56	369.43	5.80	-113.76
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013228601	1	41	-2.0	-117.40	370.09	7.91	-109.49
COCCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013228602	1	38	-2.0	-125.54	346.99	4.94	-120.60
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013228603	1	38	-2.0	-125.26	346.58	4.90	-120.36
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S1	REAL300013228604	1	37	-2.0	-118.36	322.49	3.20	-115.16
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013228605	1	41	-2.0	-119.56	369.43	5.80	-113.76
CCC(C)C(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228606	1	40	-2.0	-119.98	341.70	3.77	-116.21
COCCC1=CN=C([N-]C(=O)N2CCCCC2C(=O)[O-])S1	REAL300013228607	1	38	-2.0	-132.39	323.65	6.20	-126.19
CCCC(C)(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228608	1	40	-2.0	-120.73	336.69	3.88	-116.85
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S1	REAL300013228609	1	37	-2.0	-116.08	321.33	5.24	-110.84
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300013228610	1	40	-2.0	-113.96	347.01	5.96	-108.00
COCCC1=CN=C([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300013228611	1	42	-2.0	-134.44	361.70	8.34	-126.10
COCCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300013228612	1	38	-2.0	-122.91	327.91	3.95	-118.96
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)S1	REAL300013228613	1	35	-2.0	-122.38	338.85	3.95	-118.43
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013228614	1	41	-2.0	-125.07	340.56	4.96	-120.11
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)S1	REAL300013228615	1	41	-2.0	-107.32	380.76	8.14	-99.18
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S1	REAL300013228616	1	37	-2.0	-116.08	321.33	5.24	-110.84
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CCOC)S1	REAL300013228617	1	37	-2.0	-114.26	332.60	5.67	-108.59
COCCC1=CN=C([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013228618	1	45	-2.0	-125.15	398.48	5.88	-119.27
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228619	1	40	-2.0	-119.72	342.29	3.76	-115.96
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300013228620	1	38	-2.0	-124.60	326.05	3.86	-120.74
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300013228621	1	41	-2.0	-106.95	370.44	7.69	-99.26
CCC(C)(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228622	1	37	-2.0	-120.02	315.19	3.12	-116.90
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013228623	1	42	-2.0	-129.03	365.17	6.01	-123.02
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300013228624	1	38	-2.0	-123.90	357.83	5.08	-118.82
COCCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013228625	1	41	-2.0	-127.06	355.31	5.62	-121.44
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228626	1	49	-2.0	-121.62	401.18	6.21	-115.41
COCCC1=CN=C([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])S1	REAL300013228627	1	36	-2.0	-126.89	322.92	1.42	-125.47
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)S1	REAL300013228628	1	42	-2.0	-118.77	392.16	5.76	-113.01
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013228629	1	38	-2.0	-118.42	363.96	5.38	-113.04
COCCC1=CN=C([N-]C(=O)N2CCOCC2C(=O)[O-])S1	REAL300013228630	1	36	-2.0	-126.07	314.82	3.82	-122.25
COCCC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013228631	1	44	-2.0	-124.67	351.98	6.68	-117.99
COCCC1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013228632	1	44	-2.0	-117.48	392.50	8.69	-108.79
COCCC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013228633	1	41	-2.0	-119.32	356.25	6.76	-112.56
COCCC1=CN=C([N-]C(=O)N(CCOC)CC(=O)[O-])S1	REAL300013228634	1	38	-2.0	-115.13	342.47	4.08	-111.05
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)S1	REAL300013228635	1	42	-2.0	-132.34	361.90	5.88	-126.46
COCCC1=CN=C([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300013228636	1	38	-2.0	-132.48	323.58	6.28	-126.20
COCCC1=CN=C([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300013228637	1	36	-2.0	-124.48	322.90	1.43	-123.05
COCCC1=CN=C([N-]C(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300013228638	1	38	-2.0	-125.18	328.81	5.37	-119.81
COCCC1=CN=C([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013228639	1	45	-2.0	-125.92	403.13	5.81	-120.11
COCCC1=CN=C([N-]C(=O)N2CCCCCC2C(=O)[O-])S1	REAL300013228640	1	41	-2.0	-130.95	338.67	6.86	-124.09
CCCCC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228641	1	40	-2.0	-117.76	353.81	4.40	-113.36
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300013228642	1	39	-2.0	-124.64	358.01	2.08	-122.56
COCCC1=CN=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013228643	1	44	-2.0	-117.48	392.50	8.69	-108.79
COCCC1=CN=C([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300013228644	1	38	-2.0	-125.22	328.74	5.35	-119.87
COCCC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013228645	1	44	-2.0	-124.67	351.98	6.68	-117.99
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013228646	1	41	-2.0	-115.14	348.41	6.55	-108.59
COCCC1=CN=C([N-]C(=O)NC(COC)C(=O)[O-])S1	REAL300013228647	1	35	-2.0	-119.84	322.77	1.08	-118.76
CCCCCC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228648	1	43	-2.0	-117.93	375.55	5.11	-112.82
COCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300013228649	1	40	-2.0	-119.28	340.22	3.91	-115.37
CCC1CCC(NC(=O)[N-]C2=NC=C(CCOC)S2)(C(=O)[O-])CC1	REAL300013228650	1	47	-2.0	-125.69	379.64	6.20	-119.49
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013228651	1	42	-2.0	-115.04	355.86	4.80	-110.24
COCCC1=CN=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)S1	REAL300013228652	1	41	-2.0	-129.09	339.96	6.04	-123.05
COCCC1=CN=C([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300013228653	1	38	-2.0	-108.53	328.82	6.60	-101.93
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CCOC)S1)C1CC1	REAL300013228654	1	41	-2.0	-112.52	345.61	6.65	-105.87
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)S1	REAL300013228655	1	38	-2.0	-125.43	357.34	5.30	-120.13
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)S1	REAL300013228656	1	38	-2.0	-130.10	351.62	4.96	-125.14
COCCC1=CN=C([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013228657	1	42	-2.0	-125.08	364.17	7.62	-117.46
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)S1	REAL300013228658	1	44	-2.0	-127.13	380.00	5.98	-121.15
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300013228659	1	42	-2.0	-121.40	382.95	4.23	-117.17
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CCOC)S1	REAL300013228660	1	37	-2.0	-114.26	332.60	5.67	-108.59
COCCC1=CN=C([N-]C(=O)N(C(COC)C(=O)[O-])C2CC2)S1	REAL300013228661	1	42	-2.0	-110.26	358.45	6.03	-104.23
COCCC1=CN=C([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)S1	REAL300013228662	1	41	-2.0	-118.08	343.84	7.14	-110.94
CCCN(C(=O)[N-]C1=NC=C(CCOC)S1)C(COC)C(=O)[O-]	REAL300013228663	1	44	-2.0	-114.86	371.32	5.30	-109.56
CCCN(C(=O)[N-]C1=NC=C(CCOC)S1)C(CC)C(=O)[O-]	REAL300013228664	1	43	-2.0	-110.89	358.87	6.52	-104.37
COCCC1=CN=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300013228665	1	40	-2.0	-118.85	349.75	4.09	-114.76
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300013228666	1	39	-2.0	-120.76	331.99	2.48	-118.28
C=CCCC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228667	1	38	-2.0	-117.46	345.12	4.18	-113.28
CCC(CC)(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228668	1	40	-2.0	-121.99	331.58	4.02	-117.97
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)S1	REAL300013228669	1	42	-2.0	-122.96	376.49	4.23	-118.73
CCC(COC)(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228670	1	41	-2.0	-124.90	350.11	3.31	-121.59
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)S1	REAL300013228671	1	41	-2.0	-119.47	357.03	0.95	-118.52
COCCC1=CN=C([N-]C(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300013228672	1	38	-2.0	-118.55	342.66	4.34	-114.21
COCCC1=CN=C([N-]C(=O)NC(CCOC)C(=O)[O-])S1	REAL300013228673	1	38	-2.0	-115.47	344.48	1.92	-113.55
COCCC1=CN=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S1	REAL300013228674	1	34	-2.0	-112.37	321.67	3.31	-109.06
CCC(NC(=O)[N-]C1=NC=C(CCOC)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013228675	1	44	-2.0	-122.23	388.72	7.02	-115.21
CCC(NC(=O)[N-]C1=NC=C(CCOC)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013228676	1	44	-2.0	-128.78	372.02	6.50	-122.28
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)S1	REAL300013228677	1	48	-2.0	-125.16	397.26	4.00	-121.16
COCCC1=CN=C([N-]C(=O)NC(CCF)C(=O)[O-])S1	REAL300013228678	1	34	-2.0	-112.29	317.64	2.93	-109.36
COCCC1=CN=C([N-]C(=O)NC(CC2(OC)CCC2)C(=O)[O-])S1	REAL300013228679	1	45	-2.0	-122.26	381.14	4.21	-118.05
COCCC1=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013228680	1	45	-2.0	-121.37	386.29	6.14	-115.23
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013228681	1	42	-2.0	-115.04	355.86	4.80	-110.24
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)S1	REAL300013228682	1	44	-2.0	-116.60	364.83	7.18	-109.42
COCCC1=CN=C([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)S1	REAL300013228683	1	44	-2.0	-125.86	354.38	5.33	-120.53
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013228684	1	42	-2.0	-127.40	376.49	4.23	-123.17
COCCC1=CN=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S1	REAL300013228685	1	37	-2.0	-114.79	321.78	3.26	-111.53
COCCC1=CN=C([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])S1	REAL300013228686	1	39	-2.0	-121.21	346.80	5.80	-115.41
COCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013228687	1	42	-2.0	-127.34	376.69	4.16	-123.18
COCCC1=CN=C([N-]C(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])S1	REAL300013228688	1	44	-2.0	-127.62	378.41	6.83	-120.79
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])S1	REAL300013228689	1	45	-2.0	-121.94	398.70	5.18	-116.76
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)S1	REAL300013228690	1	47	-2.0	-127.13	368.49	5.84	-121.29
COCCC1=CN=C([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300013228691	1	36	-2.0	-130.53	318.00	5.39	-125.14
COCCC1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])S1	REAL300013228692	1	44	-2.0	-118.78	389.36	6.47	-112.31
COCCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300013228693	1	43	-2.0	-125.98	383.52	6.29	-119.69
COCCC1=CN=C([N-]C(=O)N2CC(OC)CC2(C)C(=O)[O-])S1	REAL300013228694	1	42	-2.0	-124.56	361.97	4.32	-120.24
COCCC1=CN=C([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])S1	REAL300013228695	1	45	-2.0	-120.05	378.22	4.30	-115.75
COCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300013228696	1	40	-2.0	-119.28	340.22	3.91	-115.37
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228697	1	35	-2.0	-114.89	339.28	3.98	-110.91
C=C(C)CC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228698	1	38	-2.0	-117.12	343.96	4.16	-112.96
COCCC1=CN=C([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)S1	REAL300013228699	1	39	-2.0	-130.14	331.54	6.13	-124.01
COCCC1=CN=C([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])S1	REAL300013228700	1	36	-2.0	-125.33	323.69	1.14	-124.19
COCCC1=CN=C([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013228701	1	44	-2.0	-118.63	379.03	6.02	-112.61
COCCC1=CN=C([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300013228702	1	35	-2.0	-115.24	324.62	4.96	-110.28
COCCC1=CN=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013228703	1	35	-2.0	-120.28	318.12	4.90	-115.38
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CCOC)S2)C1	REAL300013228704	1	36	-2.0	-126.83	324.87	5.25	-121.58
COCCC1=CN=C([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300013228705	1	45	-2.0	-118.56	382.51	3.60	-114.96
COCCC1=CN=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300013228706	1	40	-2.0	-118.85	349.75	4.09	-114.76
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013228707	1	42	-2.0	-121.87	355.54	2.60	-119.27
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013228708	1	38	-2.0	-125.26	346.58	4.90	-120.36
COCCC1=CN=C([N-]C(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300013228709	1	38	-2.0	-118.55	342.66	4.34	-114.21
COCCC1=CN=C([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])S1	REAL300013228710	1	37	-2.0	-116.86	355.20	2.99	-113.87
COCCC1=CN=C([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])S1	REAL300013228711	1	46	-2.0	-118.36	393.12	5.63	-112.73
COCCC1=CN=C([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])S1	REAL300013228712	1	44	-2.0	-122.82	398.81	6.33	-116.49
COCCC1=CN=C([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])S1	REAL300013228713	1	42	-2.0	-125.32	367.24	3.17	-122.15
COCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)S1	REAL300013228714	1	35	-2.0	-116.52	317.80	-0.10	-116.62
COCCC1=CN=C([N-]C(=O)NC(CSC)C(=O)[O-])S1	REAL300013228715	1	35	-2.0	-117.73	334.75	3.13	-114.60
COCCC1=CN=C([N-]C(=O)N[C@@H](COC)C(=O)[O-])S1	REAL300013228716	1	35	-2.0	-119.58	322.91	1.02	-118.56
COCCC1=CN=C([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013228717	1	41	-2.0	-115.32	375.84	5.86	-109.46
CCC(C)CC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228718	1	43	-2.0	-119.21	367.98	4.75	-114.46
C=CCCCC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228719	1	41	-2.0	-117.64	366.62	4.96	-112.68
COCCC1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013228720	1	41	-2.0	-115.23	375.84	5.87	-109.36
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300013228721	1	44	-2.0	-120.12	388.50	7.27	-112.85
COCCC1=CN=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013228722	1	36	-2.0	-124.78	323.73	6.25	-118.53
COCCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013228723	1	41	-2.0	-127.06	355.31	5.62	-121.44
CCCC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228724	1	37	-2.0	-117.71	332.55	3.55	-114.16
COCCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300013228725	1	37	-2.0	-118.67	323.16	3.12	-115.55
COCCC1=CN=C([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])S1	REAL300013228726	1	39	-2.0	-133.02	334.36	6.47	-126.55
CCN(C(=O)[N-]C1=NC=C(CCOC)S1)C(C)(C)C(=O)[O-]	REAL300013228727	1	40	-2.0	-122.86	336.83	5.82	-117.04
CCCN(C(=O)[N-]C1=NC=C(CCOC)S1)C(C)C(=O)[O-]	REAL300013228728	1	40	-2.0	-109.21	341.82	5.66	-103.55
CCC[C@@H](NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228729	1	37	-2.0	-117.56	332.31	3.62	-113.94
COCCC1=CN=C([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013228730	1	43	-2.0	-118.30	368.93	6.39	-111.91
COCCC1=CN=C([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])S1	REAL300013228731	1	39	-2.0	-126.48	335.76	5.83	-120.65
COCCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013228732	1	38	-2.0	-125.54	346.99	4.94	-120.60
COCCC1=CN=C([N-]C(=O)N(C)C(C)(C)C(=O)[O-])S1	REAL300013228733	1	37	-2.0	-121.72	318.33	4.95	-116.77
CCC(C)CC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228736	1	43	-2.0	-119.21	367.98	4.75	-114.46
COCCC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])S1	REAL300013228737	1	44	-2.0	-114.01	374.92	7.86	-106.15
COCCC1=CN=C([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])S1	REAL300013228738	1	41	-2.0	-119.09	363.46	4.76	-114.33
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013228739	1	40	-2.0	-116.68	364.60	4.03	-112.65
COCCC1=CN=C([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])S1	REAL300013228740	1	44	-2.0	-112.70	375.82	5.14	-107.56
COCCC1=CN=C([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])S1	REAL300013228741	1	43	-2.0	-110.26	362.00	6.46	-103.80
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)S1	REAL300013228742	1	37	-2.0	-128.06	343.35	3.36	-124.70
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CCOC)S1	REAL300013228743	1	44	-2.0	-128.37	366.26	7.18	-121.19
COCCC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013228744	1	44	-2.0	-113.94	374.85	7.88	-106.06
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013228747	1	40	-2.0	-116.68	364.60	4.03	-112.65
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)S1	REAL300013228748	1	37	-2.0	-121.84	342.12	3.08	-118.76
COCCC1=CN=C([N-]C(=O)N2CCCC2(COC)C(=O)[O-])S1	REAL300013228749	1	42	-2.0	-126.53	357.66	5.58	-120.95
COCCC1=CN=C([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])S1	REAL300013228750	0	42	-2.0	-129.50	365.60	8.80	-120.70
COCCC1=CN=C([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])S1	REAL300013228751	0	45	-2.0	-119.39	376.28	8.24	-111.15
COCCC1=CN=C([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])S1	REAL300013228752	1	43	-2.0	-117.21	387.34	4.81	-112.40
C=CCCC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228753	1	38	-2.0	-117.46	345.12	4.18	-113.28
COCCC1=CN=C([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300013228754	1	37	-2.0	-119.22	356.00	2.80	-116.42
COCCC1=CN=C([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300013228755	1	38	-2.0	-110.97	375.28	4.68	-106.29
CC#CCC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228756	1	36	-2.0	-118.92	339.15	4.16	-114.76
COCCC1=CN=C([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])S1	REAL300013228757	1	39	-2.0	-120.71	340.15	4.17	-116.54
COCCC1=CN=C([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300013228758	1	38	-2.0	-125.41	328.79	5.36	-120.05
COCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300013228759	1	37	-2.0	-118.54	328.09	3.36	-115.18
COCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013228760	1	38	-2.0	-125.61	347.18	4.87	-120.74
COCCC1=CN=C([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])S1	REAL300013228761	1	41	-2.0	-125.26	361.00	4.20	-121.06
CCC[C@H](NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228762	1	37	-2.0	-117.59	332.55	3.55	-114.04
CCN(C(=O)[N-]C1=NC=C(CCOC)S1)C(C)C(=O)[O-]	REAL300013228763	1	37	-2.0	-109.25	320.37	4.83	-104.42
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013228764	1	41	-2.0	-115.14	348.41	6.55	-108.59
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228765	1	40	-2.0	-119.72	342.29	3.76	-115.96
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CCOC)S1	REAL300013228766	1	37	-2.0	-109.47	323.59	5.08	-104.39
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)S1	REAL300013228767	1	39	-2.0	-127.26	344.46	0.73	-126.53
CCN(C(=O)[N-]C1=NC=C(CCOC)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013228768	1	47	-2.0	-125.29	394.90	9.00	-116.29
COCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)S1	REAL300013228769	1	47	-2.0	-123.50	391.50	3.97	-119.53
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)S1	REAL300013228770	1	41	-2.0	-125.94	346.10	4.46	-121.48
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)S1	REAL300013228771	1	44	-2.0	-128.37	356.59	5.23	-123.14
COCCC1=CN=C([N-]C(=O)NC(CCOC)C(=O)[O-])S1	REAL300013228772	1	38	-2.0	-115.47	344.48	1.92	-113.55
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300013228773	1	41	-2.0	-126.60	348.60	5.15	-121.45
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)S1	REAL300013228774	1	48	-2.0	-134.91	396.08	7.20	-127.71
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300013228775	1	38	-2.0	-120.88	339.84	3.88	-117.00
COCCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)S1	REAL300013228776	1	47	-2.0	-124.14	395.09	4.00	-120.14
COCCC1=CN=C([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])S1	REAL300013228777	1	36	-2.0	-133.48	323.70	1.31	-132.17
COCCC1=CN=C([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])S1	REAL300013228778	1	46	-2.0	-125.69	391.61	8.62	-117.07
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCOC2)S1	REAL300013228779	1	39	-2.0	-115.62	343.77	1.93	-113.69
COCCC1=CN=C([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])S1	REAL300013228780	1	39	-2.0	-129.84	333.79	5.92	-123.92
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300013228781	1	42	-2.0	-132.48	379.14	4.93	-127.55
COCCC1=CN=C([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)S1	REAL300013228782	1	37	-2.0	-125.60	325.50	3.59	-122.01
COCCC1=CN=C([N-]C(=O)N2CC(C)CCC2C(=O)[O-])S1	REAL300013228783	1	41	-2.0	-132.88	344.50	6.78	-126.10
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013228784	1	44	-2.0	-121.27	376.85	5.86	-115.41
COCCC1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013228785	1	45	-2.0	-120.51	382.91	5.95	-114.56
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300013228786	1	38	-2.0	-119.97	335.92	3.84	-116.13
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)S1	REAL300013228787	1	51	-2.0	-123.63	404.47	5.53	-118.10
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013228788	1	44	-2.0	-122.27	364.13	5.07	-117.20
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300013228789	1	38	-2.0	-119.97	335.92	3.84	-116.13
COCCC1=CN=C([N-]C(=O)N2CCC(C)C2C(=O)[O-])S1	REAL300013228790	1	38	-2.0	-129.06	334.35	5.02	-124.04
COCCC1=CN=C([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300013228791	1	45	-2.0	-122.02	383.04	4.60	-117.42
COCCC1=CN=C([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)S1	REAL300013228792	1	45	-2.0	-124.74	359.12	6.68	-118.06
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)S1	REAL300013228793	1	45	-2.0	-121.68	361.11	3.75	-117.93
COCCC1=CN=C([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])S1	REAL300013228794	1	45	-2.0	-125.91	381.77	8.16	-117.75
COCCC1=CN=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013228795	1	45	-2.0	-120.51	382.91	5.95	-114.56
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013228796	1	41	-2.0	-117.40	375.65	5.94	-111.46
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(OC)C2)S1	REAL300013228797	1	39	-2.0	-121.22	343.76	2.32	-118.90
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)S1	REAL300013228798	1	35	-2.0	-118.24	320.61	3.48	-114.76
COCCC1=CN=C([N-]C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)S1	REAL300013228799	1	39	-2.0	-121.22	343.76	2.32	-118.90
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)S1	REAL300013228800	1	38	-2.0	-117.60	352.30	4.28	-113.32
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CCOC)S1	REAL300013228801	1	41	-2.0	-127.57	342.03	6.57	-121.00
COCCC1=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013228802	1	34	-2.0	-111.48	326.74	3.56	-107.92
COCCC1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013228803	1	42	-2.0	-118.74	364.86	2.81	-115.93
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])COC2)S1	REAL300013228804	1	33	-2.0	-116.09	303.00	0.48	-115.61
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])S1	REAL300013228805	1	38	-2.0	-117.93	361.67	4.80	-113.13
COCCC1=CN=C([N-]C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013228806	1	45	-2.0	-128.72	388.22	4.83	-123.89
COCCC1=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)S1	REAL300013228807	1	40	-2.0	-121.49	331.92	3.82	-117.67
COCCC1=CN=C([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013228808	1	36	-2.0	-131.34	318.97	5.99	-125.35
COCCC1=CN=C([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013228809	1	39	-2.0	-130.23	334.76	5.42	-124.81
COCCC1=CN=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013228810	1	44	-2.0	-113.94	374.85	7.88	-106.06
COCCC1=CN=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013228811	1	47	-2.0	-120.68	390.55	6.01	-114.67
COCCC1=CN=C([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013228812	1	44	-2.0	-119.74	392.46	6.58	-113.16
COCCC1=CN=C([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013228813	1	44	-2.0	-119.79	392.46	6.58	-113.21
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300013228814	1	45	-2.0	-124.67	373.34	5.43	-119.24
COCCC1=CN=C([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013228815	1	47	-2.0	-120.99	391.16	6.08	-114.91
COCCC1=CN=C([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013228816	1	47	-2.0	-120.87	391.39	6.00	-114.87
COCCC1=CN=C([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])S1	REAL300013228817	1	45	-2.0	-125.25	373.96	6.82	-118.43
COCCC1=CN=C([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])S1	REAL300013228818	1	45	-2.0	-130.98	370.49	6.54	-124.44
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])S1	REAL300013228819	1	45	-2.0	-119.52	398.92	5.11	-114.41
C=CCSCC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228820	1	39	-2.0	-118.30	368.78	4.66	-113.64
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])S1	REAL300013228821	1	42	-2.0	-114.37	390.22	6.21	-108.16
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CCOC)S1	REAL300013228822	1	40	-2.0	-110.12	337.88	5.90	-104.22
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2(OC)CCC2)S1	REAL300013228823	1	42	-2.0	-118.77	357.99	2.42	-116.35
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)S1	REAL300013228824	1	44	-2.0	-121.08	372.98	5.79	-115.29
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)S1	REAL300013228825	1	45	-2.0	-129.10	378.53	6.88	-122.22
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)S1	REAL300013228826	1	38	-2.0	-120.67	342.29	4.17	-116.50
COCCC1=CN=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013228827	0	38	-2.0	-126.67	344.31	5.25	-121.42
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013228827	1	37	-3.0	-198.56	339.69	3.93	-194.63
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300013228828	1	50	-2.0	-125.65	423.44	7.18	-118.47
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300013228829	1	47	-2.0	-125.49	407.43	6.79	-118.70
COCCC1=CN=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013228830	1	35	-2.0	-120.28	318.12	4.90	-115.38
COCCC1=CN=C([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])S1	REAL300013228831	1	37	-2.0	-120.97	326.92	5.72	-115.25
COCCC1=CN=C([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])S1	REAL300013228832	1	41	-2.0	-129.58	345.62	5.59	-123.99
CCOC1=CC=C(C(NC(=O)[N-]C2=NC=C(CCOC)S2)C(=O)[O-])C=C1	REAL300013228833	1	45	-2.0	-122.79	398.31	5.16	-117.63
COCCC1=CN=C([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])S1	REAL300013228834	1	45	-2.0	-134.87	367.89	7.82	-127.05
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300013228835	1	45	-2.0	-122.92	389.21	6.74	-116.18
COCCC1=CN=C([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])S1	REAL300013228836	1	45	-2.0	-126.20	389.64	5.86	-120.34
COCCC1=CN=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])S1	REAL300013228837	1	41	-2.0	-118.27	383.44	5.79	-112.48
COCCC1=CN=C([N-]C(=O)NC(CCC(C)C)C(=O)[O-])S1	REAL300013228838	1	43	-2.0	-118.39	371.62	4.85	-113.54
COCCC1=CN=C([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])S1	REAL300013228839	1	42	-2.0	-126.34	361.30	6.34	-120.00
COCCC1=CN=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013228840	1	42	-2.0	-118.74	364.86	2.81	-115.93
COCCC1=CN=C([N-]C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])S1	REAL300013228841	1	39	-2.0	-122.54	355.91	5.80	-116.74
COCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)S1	REAL300013228842	1	35	-2.0	-112.58	315.00	-0.68	-113.26
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)S1	REAL300013228843	1	42	-2.0	-128.11	346.39	5.60	-122.51
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)S1	REAL300013228844	1	39	-2.0	-126.58	333.55	4.69	-121.89
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300013228845	1	42	-2.0	-126.60	354.80	5.07	-121.53
COCCC1=CN=C([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300013228846	1	48	-2.0	-126.66	388.15	7.30	-119.36
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCC2)S1	REAL300013228847	1	41	-2.0	-121.35	347.21	4.38	-116.97
COCCC1=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S1	REAL300013228848	1	38	-2.0	-120.18	340.57	2.04	-118.14
COCCC1=CN=C([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)S1	REAL300013228849	1	38	-2.0	-124.64	327.78	4.11	-120.53
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013228850	1	41	-2.0	-117.40	370.09	7.91	-109.49
COCCC1=CN=C([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])S1	REAL300013228851	1	41	-2.0	-124.39	351.90	5.65	-118.74
COCCC1=CN=C([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])S1	REAL300013228852	1	42	-2.0	-124.12	372.79	8.16	-115.96
COCCC1=CN=C([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])S1	REAL300013228853	1	38	-2.0	-123.25	334.98	6.40	-116.85
COCCC1=CN=C([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])S1	REAL300013228854	1	35	-2.0	-122.82	323.33	4.94	-117.88
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013228855	1	41	-2.0	-117.40	375.65	5.94	-111.46
COCCC1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013228856	1	38	-2.0	-117.23	360.30	4.71	-112.52
COCCC1=CN=C([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])S1	REAL300013228857	1	38	-2.0	-114.56	340.84	5.47	-109.09
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)S1	REAL300013228858	1	42	-2.0	-124.72	374.00	5.50	-119.22
COCCC1=CN=C([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])S1	REAL300013228859	1	46	-2.0	-125.27	398.91	7.19	-118.08
COCCC1=CN=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013228860	1	38	-2.0	-117.23	360.30	4.71	-112.52
COCCC1=CN=C([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013228861	1	42	-2.0	-131.28	349.95	6.20	-125.08
COCCC1=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013228862	1	39	-2.0	-122.48	358.22	2.01	-120.47
COCCCC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228863	1	41	-2.0	-118.42	365.98	2.69	-115.73
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CCOC)S1	REAL300013228864	1	40	-2.0	-110.00	345.63	5.89	-104.11
CCOCC(NC(=O)[N-]C1=NC=C(CCOC)S1)C(=O)[O-]	REAL300013228865	1	38	-2.0	-120.66	344.63	2.05	-118.61
COCCC1=CN=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S1	REAL300013228866	1	43	-2.0	-119.39	361.89	5.21	-114.18
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)S1	REAL300013228867	1	42	-2.0	-124.11	361.55	2.94	-121.17
COCCC1=CN=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013228868	1	42	-2.0	-129.03	365.17	6.01	-123.02
COCCC1=CN=C([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])S1	REAL300013228869	1	39	-2.0	-128.03	334.81	4.40	-123.63
COCCC1=CN=C([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])S1	REAL300013228870	1	41	-2.0	-110.65	354.79	6.02	-104.63
COCCC1=CN=C([N-]C(=O)NC(CCC#N)C(=O)[O-])S1	REAL300013228871	1	35	-2.0	-111.31	331.91	3.29	-108.02
COCCC1=CN=C([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)S1	REAL300013228872	1	52	-2.0	-127.99	401.98	6.91	-121.08
COCCC1=CN=C([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])S1	REAL300013228873	1	44	-2.0	-122.02	393.95	6.19	-115.83
COCCC1=CN=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)S1	REAL300013228874	1	38	-2.0	-115.19	351.75	6.05	-109.14
COCCC1=CN=C([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])S1	REAL300013228875	1	49	-2.0	-133.80	386.19	6.73	-127.07
COCCC1=CN=C([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300013228876	1	40	-2.0	-115.26	381.22	4.42	-110.84
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CCOC)S2)C1	REAL300013228877	1	42	-2.0	-121.65	366.01	4.83	-116.82
CN1C=C(C2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)C=N1	REAL300013229159	0	42	-2.0	-123.35	359.70	7.09	-116.26
O=C([O-])C1CC(NC(=O)NC2=CC=CC=C2Cl)(C(=O)[O-])C1	REAL300013229566	0	32	-2.0	-114.07	293.40	6.43	-107.64
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1	REAL300013229858	0	37	-2.0	-110.32	328.93	7.18	-103.14
O=C([O-])C1CC(NC(=O)NC2=CC(F)=C(N3CCOCC3)C(F)=C2)(C(=O)[O-])C1	REAL300013230096	0	45	-2.0	-121.65	377.05	5.04	-116.61
CCC(=O)C1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1F	REAL300013230402	0	40	-2.0	-119.61	348.67	7.29	-112.32
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C(F)(F)CF)=C2)(C(=O)[O-])C1	REAL300013230896	0	38	-2.0	-115.73	338.90	7.50	-108.23
CC1(C2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)CC1	REAL300013231194	0	42	-2.0	-122.44	347.47	8.41	-114.03
CC1(C2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)CC1	REAL300013231497	0	42	-2.0	-123.17	347.46	8.42	-114.75
O=C([O-])C1CC(NC(=O)NC2=CC=C(N3CCCS3(=O)=O)C=N2)(C(=O)[O-])C1	REAL300013231905	0	43	-2.0	-137.69	374.78	4.25	-133.44
CN1N=C(C2CC2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013232169	0	39	-2.0	-122.75	332.77	6.71	-116.04
CCCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013232394	0	38	-2.0	-119.96	324.32	6.22	-113.74
CC1(C2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)CC1(F)F	REAL300013232696	0	42	-2.0	-120.23	357.47	8.42	-111.81
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C(=O)C(F)F)=C2)(C(=O)[O-])C1	REAL300013233018	0	37	-2.0	-135.46	332.49	6.56	-128.90
O=C([O-])C1CC(NC(=O)NC2=CC=C3CCOC3=C2)(C(=O)[O-])C1	REAL300013233637	0	37	-2.0	-122.33	316.59	5.80	-116.53
CC1=CC=C(N2CCCCC2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013233943	0	50	-2.0	-129.83	392.41	8.12	-121.71
CN1C=C(C2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)C=N1	REAL300013234263	0	42	-2.0	-128.05	360.85	7.25	-120.80
CC(C)(C)C(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013234586	0	46	-2.0	-133.60	371.94	7.86	-125.74
O=C([O-])C1CC(NC(=O)NC2=CC=C3OC=CC(=O)C3=C2)(C(=O)[O-])C1	REAL300013234908	0	37	-2.0	-143.17	328.22	6.06	-137.11
O=C([O-])C1CC(NC(=O)NC2=CC(F)=CC(Br)=C2)(C(=O)[O-])C1	REAL300013235217	0	32	-2.0	-111.43	307.32	6.50	-104.93
O=C([O-])C1CC(NC(=O)NC2=CC=C(OC3=CC=NC=N3)C=C2)(C(=O)[O-])C1	REAL300013235518	0	41	-2.0	-119.54	360.75	5.99	-113.55
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235557	1	51	-2.0	-128.37	414.45	7.24	-121.13
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235558	1	48	-2.0	-124.43	405.36	9.81	-114.62
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(=O)[O-])C=C1	REAL300013235559	1	45	-2.0	-133.21	391.47	6.87	-126.34
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235560	1	38	-2.0	-118.61	350.06	4.72	-113.89
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCSCC1	REAL300013235561	1	43	-2.0	-126.42	361.33	5.87	-120.55
COCC(C)(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235562	1	42	-2.0	-130.42	356.51	3.65	-126.77
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235563	1	45	-2.0	-118.54	379.23	5.73	-112.81
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235564	1	44	-2.0	-122.83	370.32	7.42	-115.41
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CC1	REAL300013235565	1	39	-2.0	-123.53	339.43	6.49	-117.04
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235566	1	41	-2.0	-116.05	373.80	7.28	-108.77
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCOC1	REAL300013235567	1	40	-2.0	-127.15	339.77	2.52	-124.63
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCCCC1	REAL300013235568	1	48	-2.0	-129.96	387.86	6.24	-123.72
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=C(O)C=C1	REAL300013235569	1	43	-2.0	-129.73	381.32	3.26	-126.47
CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013235570	1	49	-2.0	-120.26	405.78	7.03	-113.23
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235571	1	43	-2.0	-128.41	380.61	3.87	-124.54
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235572	1	43	-2.0	-146.02	354.49	4.90	-141.12
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235573	1	42	-2.0	-123.64	364.14	5.20	-118.44
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCOCC1	REAL300013235574	1	46	-2.0	-128.99	378.62	3.83	-125.16
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=C(F)C(F)=C1	REAL300013235575	1	42	-2.0	-122.30	382.37	6.28	-116.02
COC1CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(C(=O)[O-])C1	REAL300013235576	1	46	-2.0	-140.29	379.20	6.46	-133.83
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCCOC1	REAL300013235577	1	46	-2.0	-125.21	378.59	3.85	-121.36
CC1CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(C(=O)[O-])C1	REAL300013235578	1	45	-2.0	-141.35	367.62	8.07	-133.28
CC1=CC(C(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(=O)[O-])=CC=C1F	REAL300013235579	1	45	-2.0	-126.06	397.01	6.80	-119.26
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(=O)[O-])=C1	REAL300013235580	1	48	-2.0	-135.96	413.08	7.44	-128.52
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(=O)[O-])C=C1C	REAL300013235581	1	48	-2.0	-135.22	408.72	7.31	-127.91
CC(C)C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235582	1	41	-2.0	-125.80	346.24	4.37	-121.43
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235583	1	42	-2.0	-140.96	346.73	7.45	-133.51
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=C(Cl)C=C1	REAL300013235584	1	42	-2.0	-125.60	387.03	6.63	-118.97
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235585	1	40	-2.0	-133.08	346.81	7.49	-125.59
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCCCC1	REAL300013235586	1	45	-2.0	-132.83	363.64	6.20	-126.63
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235587	1	39	-2.0	-134.00	334.74	6.05	-127.95
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCCC1	REAL300013235588	1	42	-2.0	-132.11	349.13	5.11	-127.00
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCCCCC1	REAL300013235589	1	48	-2.0	-133.42	369.29	6.87	-126.55
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235590	1	45	-2.0	-127.25	391.67	7.07	-120.18
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235591	1	45	-2.0	-124.94	393.17	9.15	-115.79
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=CC=C1	REAL300013235592	1	42	-2.0	-132.82	370.06	6.19	-126.63
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=CC=C1	REAL300013235593	1	42	-2.0	-132.80	370.04	6.19	-126.61
CCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235594	1	38	-2.0	-124.02	333.89	4.10	-119.92
CC(C)C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235595	1	41	-2.0	-125.80	346.24	4.37	-121.43
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235596	1	36	-2.0	-127.60	323.73	-0.13	-127.73
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235597	1	36	-2.0	-127.60	323.73	-0.13	-127.73
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235598	1	45	-2.0	-127.25	391.67	7.07	-120.18
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235599	1	44	-2.0	-126.84	364.07	5.07	-121.77
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235600	1	42	-2.0	-140.96	346.73	7.45	-133.51
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235601	1	44	-2.0	-128.36	359.77	5.12	-123.24
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235602	1	41	-2.0	-123.07	344.40	6.49	-116.58
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CC1	REAL300013235603	1	39	-2.0	-123.53	339.43	6.49	-117.04
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235604	1	39	-2.0	-121.86	346.98	6.71	-115.15
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235605	1	44	-2.0	-122.83	370.32	7.42	-115.41
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235606	1	46	-2.0	-142.87	384.76	9.58	-133.29
CC(C)(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235607	1	38	-2.0	-105.38	324.87	3.42	-101.96
CC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)(C(=O)[O-])C1CC1	REAL300013235608	1	42	-2.0	-130.26	350.99	5.20	-125.06
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=CS1	REAL300013235609	1	39	-2.0	-129.58	361.91	5.19	-124.39
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCCCC1	REAL300013235610	1	45	-2.0	-132.83	363.64	6.20	-126.63
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235611	1	41	-2.0	-123.07	344.40	6.49	-116.58
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235612	1	41	-2.0	-121.65	355.66	6.90	-114.75
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235613	1	38	-2.0	-121.98	334.17	6.15	-115.83
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235614	1	36	-2.0	-128.20	323.24	-0.13	-128.33
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235615	1	44	-2.0	-127.57	365.37	5.01	-122.56
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCCC1	REAL300013235616	1	42	-2.0	-132.11	349.13	5.11	-127.00
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235617	1	45	-2.0	-113.20	393.53	8.93	-104.27
CCC(C)(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235618	1	41	-2.0	-127.42	338.27	4.37	-123.05
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC2=CC=CC=C2C1	REAL300013235619	1	46	-2.0	-136.74	388.24	7.26	-129.48
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC(F)=CC=C1F	REAL300013235620	1	42	-2.0	-132.72	381.10	6.28	-126.44
CC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013235621	1	45	-2.0	-135.55	378.38	6.86	-128.69
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235622	1	38	-2.0	-121.98	334.17	6.15	-115.83
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235623	1	53	-2.0	-129.16	424.26	7.45	-121.71
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235624	1	40	-2.0	-135.72	345.96	2.66	-133.06
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013235625	1	36	-2.0	-132.53	318.45	4.18	-128.35
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=C(Cl)C=C1	REAL300013235626	1	42	-2.0	-125.60	387.03	6.63	-118.97
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235627	1	40	-2.0	-134.24	337.85	5.06	-129.18
CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1(C(=O)[O-])CCCCC1	REAL300013235628	1	48	-2.0	-132.16	375.05	7.93	-124.23
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CC1	REAL300013235629	1	39	-2.0	-127.13	340.52	4.53	-122.60
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235630	1	48	-2.0	-124.98	415.57	9.93	-115.05
CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013235631	1	45	-2.0	-124.42	380.20	8.07	-116.35
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235632	1	42	-2.0	-122.37	365.54	5.32	-117.05
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCC2=CC=CC=C21	REAL300013235633	1	46	-2.0	-141.23	385.19	7.17	-134.06
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235634	1	39	-2.0	-132.63	335.73	5.74	-126.89
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235635	1	42	-2.0	-140.64	346.78	7.47	-133.17
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235636	1	40	-2.0	-133.13	346.80	2.43	-130.70
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235637	1	38	-2.0	-115.39	326.22	5.24	-110.15
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235638	1	39	-2.0	-132.74	335.02	6.01	-126.73
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCC1	REAL300013235639	1	39	-2.0	-132.27	335.28	4.69	-127.58
C=CCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235640	1	39	-2.0	-124.05	347.16	4.55	-119.50
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235641	1	42	-2.0	-133.51	351.88	6.61	-126.90
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235642	1	45	-2.0	-139.61	361.59	8.26	-131.35
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CC1	REAL300013235643	1	39	-2.0	-127.13	340.52	4.53	-122.60
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235644	1	38	-2.0	-114.77	326.76	5.28	-109.49
CCCCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235645	1	44	-2.0	-124.80	376.88	5.64	-119.16
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=CC(O)=C1	REAL300013235646	1	43	-2.0	-131.96	381.08	3.33	-128.63
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235647	1	48	-2.0	-124.98	415.57	9.93	-115.05
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235648	1	42	-2.0	-133.37	351.91	6.62	-126.75
CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1(C(=O)[O-])CCCCC1	REAL300013235649	1	48	-2.0	-132.16	375.05	7.93	-124.23
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCCC1	REAL300013235650	1	45	-2.0	-121.59	371.49	7.80	-113.79
COCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235651	1	39	-2.0	-126.68	345.98	2.27	-124.41
CCCCCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235652	1	47	-2.0	-124.92	398.38	6.43	-118.49
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235653	1	44	-2.0	-128.03	364.92	5.15	-122.88
CCC1CCC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)(C(=O)[O-])CC1	REAL300013235654	1	51	-2.0	-133.33	402.72	7.44	-125.89
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCOCC1	REAL300013235655	1	46	-2.0	-122.46	378.95	6.05	-116.41
CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1(C(=O)[O-])CCCC1	REAL300013235656	1	45	-2.0	-136.67	363.03	7.29	-129.38
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CC1	REAL300013235657	1	42	-2.0	-116.98	345.20	6.36	-110.62
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CC1	REAL300013235658	1	45	-2.0	-120.12	368.95	8.06	-112.06
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=CC=C1Cl	REAL300013235659	1	42	-2.0	-133.59	381.05	6.59	-127.00
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=CC=C1F	REAL300013235660	1	42	-2.0	-138.21	374.70	6.21	-132.00
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235661	1	46	-2.0	-132.73	387.28	8.93	-123.80
CC1=CC=CC(C(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(=O)[O-])=C1C	REAL300013235662	1	48	-2.0	-134.06	401.04	7.24	-126.82
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235663	1	41	-2.0	-121.65	355.66	6.90	-114.75
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CC1	REAL300013235664	1	46	-2.0	-117.32	381.97	7.53	-109.79
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCC1	REAL300013235665	1	45	-2.0	-125.83	367.78	8.22	-117.61
CCCN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(COC)C(=O)[O-]	REAL300013235666	1	48	-2.0	-121.35	393.77	6.45	-114.90
CCCN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(CC)C(=O)[O-]	REAL300013235667	1	47	-2.0	-117.68	381.94	7.77	-109.91
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235668	1	44	-2.0	-126.73	372.83	5.34	-121.39
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCOCC1	REAL300013235669	1	43	-2.0	-128.85	355.07	3.71	-125.14
C=CCCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235670	1	42	-2.0	-124.52	368.19	5.43	-119.09
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235671	1	35	-2.0	-108.53	316.23	3.02	-105.51
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235672	1	44	-2.0	-130.20	354.94	5.26	-124.94
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(=O)[O-])C=C1	REAL300013235673	1	46	-2.0	-130.27	399.80	5.41	-124.86
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235674	1	45	-2.0	-133.20	373.18	4.55	-128.65
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235675	1	42	-2.0	-125.69	366.25	5.46	-120.23
COCCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235676	1	42	-2.0	-122.41	367.56	3.16	-119.25
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235677	1	38	-2.0	-118.91	346.48	4.32	-114.59
CCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013235678	1	48	-2.0	-136.36	395.10	7.75	-128.61
COC1CCCC(C(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(=O)[O-])C1	REAL300013235679	1	52	-2.0	-130.33	422.37	5.46	-124.87
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235680	1	38	-2.0	-118.96	340.48	4.24	-114.72
COC1(CC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(=O)[O-])CCC1	REAL300013235681	1	49	-2.0	-130.20	404.22	5.46	-124.74
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCOCC1	REAL300013235682	1	46	-2.0	-122.46	378.95	6.05	-116.41
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCCCC1	REAL300013235683	1	48	-2.0	-123.14	387.90	8.43	-114.71
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)(C(=O)[O-])CC1	REAL300013235684	1	48	-2.0	-133.51	377.54	6.63	-126.88
COC1=CC=CC(C(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(=O)[O-])=C1	REAL300013235685	1	46	-2.0	-134.77	399.57	5.48	-129.29
CC(CCF)(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235686	1	41	-2.0	-121.98	344.86	4.50	-117.48
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC=C(CC3CCCO3)S1)OC=C2	REAL300013235687	1	43	-2.0	-128.84	369.88	7.05	-121.79
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(=O)[O-])=C1	REAL300013235688	1	46	-2.0	-135.10	399.16	5.44	-129.66
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235689	1	38	-2.0	-115.13	326.76	5.28	-109.85
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013235690	1	48	-2.0	-136.03	401.43	8.07	-127.96
CC1(C)CCCC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)(C(=O)[O-])C1	REAL300013235691	1	51	-2.0	-135.80	391.56	7.08	-128.72
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235692	1	40	-2.0	-138.61	341.05	6.62	-131.99
COC1CN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(C)(C(=O)[O-])C1	REAL300013235693	1	46	-2.0	-129.01	384.59	5.62	-123.39
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235694	1	49	-2.0	-127.73	401.05	5.62	-122.11
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235695	1	44	-2.0	-128.03	364.92	5.15	-122.88
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235696	1	39	-2.0	-121.96	362.59	5.15	-116.81
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235697	1	42	-2.0	-124.20	367.02	5.41	-118.79
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235698	1	43	-2.0	-138.46	354.62	7.38	-131.08
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235699	1	40	-2.0	-132.01	346.88	2.40	-129.61
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235700	1	39	-2.0	-123.08	347.70	6.22	-116.86
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235701	1	39	-2.0	-128.24	341.20	6.15	-122.09
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013235702	1	40	-2.0	-135.14	347.95	6.50	-128.64
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235703	1	49	-2.0	-126.33	405.59	4.85	-121.48
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235704	1	44	-2.0	-126.73	372.83	5.34	-121.39
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCOCC1	REAL300013235705	1	46	-2.0	-128.99	378.62	3.83	-125.16
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=CC=C1	REAL300013235706	1	42	-2.0	-132.80	370.04	6.19	-126.61
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235707	1	42	-2.0	-125.69	366.25	5.46	-120.23
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235708	1	41	-2.0	-124.63	378.28	4.24	-120.39
CC(C)CCCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235709	1	50	-2.0	-125.43	415.95	6.94	-118.49
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235710	1	46	-2.0	-131.89	388.11	5.01	-126.88
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235711	1	39	-2.0	-124.43	340.39	1.13	-123.30
CSCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235712	1	39	-2.0	-124.80	357.58	4.45	-120.35
COC[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235713	1	39	-2.0	-127.27	345.98	2.28	-124.99
CC[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235714	1	38	-2.0	-124.53	333.29	4.06	-120.47
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235715	1	45	-2.0	-122.29	398.91	7.12	-115.17
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235716	1	47	-2.0	-126.36	391.06	5.99	-120.37
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235717	1	45	-2.0	-124.84	389.93	6.14	-118.70
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235718	1	45	-2.0	-122.75	398.67	7.18	-115.57
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235719	1	40	-2.0	-133.08	346.81	7.49	-125.59
CC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013235720	1	45	-2.0	-135.55	378.38	6.86	-128.69
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235721	1	39	-2.0	-132.63	335.73	5.74	-126.89
CCCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235722	1	41	-2.0	-124.63	355.38	4.86	-119.77
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235723	1	41	-2.0	-125.03	349.25	4.65	-120.38
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235724	1	43	-2.0	-141.00	357.53	7.74	-133.26
CCN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(C)(C)C(=O)[O-]	REAL300013235725	1	44	-2.0	-130.29	359.90	7.07	-123.22
CCCN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(C)C(=O)[O-]	REAL300013235726	1	44	-2.0	-116.20	364.89	6.91	-109.29
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235727	1	41	-2.0	-124.61	355.38	4.86	-119.75
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235728	1	43	-2.0	-133.36	358.19	7.13	-126.23
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=CC=C1	REAL300013235729	1	42	-2.0	-132.82	370.06	6.19	-126.63
CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(C)(C)C(=O)[O-]	REAL300013235730	1	41	-2.0	-129.12	341.41	6.20	-122.92
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235731	1	39	-2.0	-132.74	335.02	6.01	-126.73
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235734	1	47	-2.0	-126.36	391.06	5.99	-120.37
C#CCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235735	1	37	-2.0	-123.86	340.15	4.51	-119.35
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235736	1	48	-2.0	-125.16	404.51	10.44	-114.72
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235737	1	38	-2.0	-114.77	326.76	5.28	-109.49
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235738	1	45	-2.0	-126.32	386.56	6.01	-120.31
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235739	1	44	-2.0	-123.70	387.68	5.28	-118.42
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235740	1	48	-2.0	-119.35	398.89	6.40	-112.95
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235741	1	47	-2.0	-116.91	385.57	7.82	-109.09
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=CC=N1	REAL300013235742	1	41	-2.0	-136.13	366.43	4.60	-131.53
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235743	1	48	-2.0	-135.83	389.33	8.42	-127.41
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235744	1	48	-2.0	-121.06	397.31	9.00	-112.06
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235747	1	44	-2.0	-123.70	387.68	5.28	-118.42
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=CN=C1	REAL300013235748	1	41	-2.0	-128.76	364.95	4.39	-124.37
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235749	1	46	-2.0	-133.76	380.74	6.83	-126.93
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235750	0	46	-2.0	-137.82	388.67	10.05	-127.77
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235751	1	47	-2.0	-124.94	410.41	6.05	-118.89
C=CCCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235752	1	42	-2.0	-124.52	368.19	5.43	-119.09
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235753	1	41	-2.0	-126.21	379.08	4.05	-122.16
CC#CCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235754	1	40	-2.0	-125.98	362.22	5.40	-120.58
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1=O	REAL300013235755	1	43	-2.0	-128.69	363.23	5.42	-123.27
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235756	1	42	-2.0	-132.71	351.87	6.61	-126.10
CC(C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235757	1	41	-2.0	-125.69	349.25	4.65	-121.04
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=CC=C1	REAL300013235758	1	42	-2.0	-133.27	369.65	6.13	-127.14
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235759	1	45	-2.0	-130.78	379.74	5.40	-125.38
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235760	1	38	-2.0	-115.13	326.76	5.28	-109.85
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235761	1	41	-2.0	-125.13	354.79	4.82	-120.31
CCN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(C)C(=O)[O-]	REAL300013235762	1	41	-2.0	-116.05	343.92	6.18	-109.87
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCCC1	REAL300013235763	1	45	-2.0	-121.59	371.49	7.80	-113.79
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235764	1	44	-2.0	-127.57	365.37	5.01	-122.56
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235765	1	41	-2.0	-116.58	346.63	6.48	-110.10
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC(CO)C1	REAL300013235766	1	43	-2.0	-134.95	367.53	1.98	-132.97
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235767	1	51	-2.0	-131.49	414.57	5.22	-126.27
CC1CCC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)(C(=O)[O-])C1	REAL300013235768	1	45	-2.0	-132.88	369.31	5.75	-127.13
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235769	1	48	-2.0	-136.62	378.00	6.34	-130.28
COCCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235770	1	42	-2.0	-122.41	367.56	3.16	-119.25
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)(C(=O)[O-])C1	REAL300013235771	1	45	-2.0	-134.33	371.68	6.39	-127.94
CC1(C(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(=O)[O-])CC1	REAL300013235772	1	42	-2.0	-128.53	362.86	5.16	-123.37
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235773	1	51	-2.0	-131.27	418.67	5.27	-126.00
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235774	1	40	-2.0	-140.63	346.87	2.58	-138.05
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCOC1	REAL300013235775	1	43	-2.0	-123.15	366.36	3.08	-120.07
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235776	1	43	-2.0	-138.00	356.81	7.18	-130.82
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(CC3CCCO3)S1)C2	REAL300013235777	1	41	-2.0	-134.01	349.64	4.70	-129.31
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013235778	1	45	-2.0	-141.99	363.00	8.32	-133.67
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235779	1	48	-2.0	-129.09	409.28	7.46	-121.63
CN(C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1(C(=O)[O-])CC1	REAL300013235780	1	39	-2.0	-129.52	341.75	5.91	-123.61
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235781	1	49	-2.0	-128.73	406.84	7.18	-121.55
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCC1	REAL300013235782	1	42	-2.0	-127.54	360.89	5.08	-122.46
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCCCC1	REAL300013235783	1	48	-2.0	-129.96	387.86	6.24	-123.72
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCC1	REAL300013235784	1	42	-2.0	-127.54	360.89	5.08	-122.46
CC1CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1C(=O)[O-]	REAL300013235785	1	42	-2.0	-136.56	357.43	6.26	-130.30
C=CCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235786	1	39	-2.0	-124.05	347.16	4.55	-119.50
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235787	1	49	-2.0	-129.46	406.37	5.76	-123.70
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235788	1	49	-2.0	-133.21	382.31	7.96	-125.25
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)(C(=O)[O-])CCO1	REAL300013235789	1	49	-2.0	-130.04	384.19	5.00	-125.04
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235790	1	49	-2.0	-128.73	406.84	7.18	-121.55
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235791	1	45	-2.0	-125.62	398.92	7.11	-118.51
COC1CC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)(C(=O)[O-])C1	REAL300013235792	1	43	-2.0	-132.39	368.59	3.65	-128.74
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC(F)(F)C1	REAL300013235793	1	39	-2.0	-126.20	343.84	4.72	-121.48
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)(C(=O)[O-])C1	REAL300013235794	1	43	-2.0	-128.70	366.95	3.57	-125.13
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1(C(F)(F)F)CC1	REAL300013235795	1	42	-2.0	-122.12	374.61	5.54	-116.58
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235796	1	45	-2.0	-136.01	365.10	7.82	-128.19
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235797	1	38	-2.0	-118.61	350.06	4.72	-113.89
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235798	1	46	-2.0	-125.90	389.42	4.17	-121.73
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)COC1	REAL300013235799	1	37	-2.0	-123.45	326.08	1.73	-121.72
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235800	1	42	-2.0	-125.66	384.19	6.17	-119.49
CC(C)C(C)(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235801	1	44	-2.0	-128.73	353.19	4.99	-123.74
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235802	1	40	-2.0	-138.94	342.14	7.26	-131.68
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235803	1	43	-2.0	-136.56	358.47	6.82	-129.74
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235804	1	48	-2.0	-121.06	397.31	9.00	-112.06
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235805	1	51	-2.0	-128.37	414.45	7.24	-121.13
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235806	1	48	-2.0	-127.51	415.53	7.82	-119.69
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235807	1	48	-2.0	-127.00	415.53	7.82	-119.18
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CC2CCC1C2	REAL300013235808	1	49	-2.0	-130.79	395.92	6.89	-123.90
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235809	1	51	-2.0	-128.28	414.23	7.32	-120.96
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235810	1	51	-2.0	-128.92	414.46	7.24	-121.68
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235811	1	49	-2.0	-131.73	397.13	8.07	-123.66
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235812	1	49	-2.0	-138.40	393.65	7.81	-130.59
C=CCSCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235813	1	43	-2.0	-125.56	392.10	5.83	-119.73
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235814	1	44	-2.0	-116.86	360.87	7.14	-109.72
COC1(C(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C(=O)[O-])CCC1	REAL300013235815	1	46	-2.0	-126.82	381.71	3.71	-123.11
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC(C(F)F)C1	REAL300013235816	1	42	-2.0	-129.63	367.49	5.48	-124.15
O=C([O-])C1CC(NC(=O)NC2=NC=C(CC3CCCO3)S2)(C(=O)[O-])C1	REAL300013235817	0	42	-2.0	-125.72	365.99	6.38	-119.34
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)(C(=O)[O-])C1	REAL300013235817	1	41	-3.0	-207.48	362.76	5.17	-202.31
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235818	1	39	-2.0	-128.24	341.20	6.15	-122.09
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235819	1	41	-2.0	-129.07	350.56	6.89	-122.18
CC1(C)CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1C(=O)[O-]	REAL300013235820	1	45	-2.0	-137.57	370.87	6.73	-130.84
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235821	1	49	-2.0	-143.22	390.96	9.06	-134.16
CC(C)CCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235822	1	47	-2.0	-125.33	394.45	6.16	-119.17
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235823	1	46	-2.0	-132.47	382.93	7.57	-124.90
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235824	1	46	-2.0	-125.90	389.42	4.17	-121.73
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013235825	1	43	-2.0	-130.66	378.98	7.05	-123.61
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235826	1	39	-2.0	-120.83	340.04	0.68	-120.15
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235827	1	36	-2.0	-128.20	323.24	-0.13	-128.33
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCCC2CC21	REAL300013235828	1	46	-2.0	-134.98	371.97	6.58	-128.40
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCC2CC21	REAL300013235829	1	43	-2.0	-133.47	357.76	5.71	-127.76
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC2(CCC2)C1	REAL300013235830	1	46	-2.0	-134.28	377.88	6.31	-127.97
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC=C(CC3CCCO3)S1)CCCCC2	REAL300013235831	1	52	-2.0	-133.63	411.23	8.55	-125.08
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCCC1	REAL300013235832	1	45	-2.0	-128.45	370.29	5.62	-122.83
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235833	1	42	-2.0	-128.09	363.63	3.26	-124.83
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235834	1	42	-2.0	-132.01	350.96	5.39	-126.62
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235835	1	45	-2.0	-124.94	393.17	9.15	-115.79
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013235836	1	45	-2.0	-131.67	375.78	6.86	-124.81
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235837	1	42	-2.0	-131.37	358.05	7.65	-123.72
O=C([O-])C1N(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCC1(F)F	REAL300013235838	1	39	-2.0	-130.89	346.40	6.18	-124.71
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235839	1	45	-2.0	-125.62	398.92	7.11	-118.51
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235840	1	42	-2.0	-124.57	383.39	5.99	-118.58
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235841	1	42	-2.0	-126.18	364.31	6.82	-119.36
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235842	1	42	-2.0	-124.57	383.39	5.99	-118.58
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235843	1	46	-2.0	-138.73	373.12	7.48	-131.25
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1=CC=C(O)C=C1	REAL300013235844	1	43	-2.0	-129.74	381.32	3.26	-126.48
COCCCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235845	1	45	-2.0	-125.64	389.06	3.93	-121.71
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235846	1	44	-2.0	-116.64	369.21	7.24	-109.40
CCOCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235847	1	42	-2.0	-127.64	367.70	3.30	-124.34
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235848	1	47	-2.0	-126.61	384.96	6.44	-120.17
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CCCCO1	REAL300013235849	1	46	-2.0	-131.39	384.62	4.18	-127.21
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC2=CC=CC=C2C1	REAL300013235850	1	46	-2.0	-136.74	388.24	7.26	-129.48
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)[C@@H]1C(=O)[O-]	REAL300013235851	1	43	-2.0	-136.24	358.33	5.65	-130.59
N#CCCC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235852	1	39	-2.0	-118.02	354.98	4.53	-113.49
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235853	1	42	-2.0	-121.60	374.83	7.29	-114.31
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013235854	1	38	-2.0	-115.39	326.22	5.24	-110.15
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013235855	1	46	-2.0	-136.29	389.95	6.02	-130.27
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3CCCCC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235856	1	51	-2.0	-125.16	410.16	7.10	-118.06
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235857	1	48	-2.0	-120.67	400.85	9.83	-110.84
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(=O)[O-])C=C1	REAL300013235858	1	45	-2.0	-129.65	387.45	6.66	-122.99
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235859	1	38	-2.0	-115.18	345.79	4.61	-110.57
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCSCC3)=N2)[C@H](C)O1	REAL300013235860	1	43	-2.0	-122.36	357.29	5.69	-116.67
COCC(C)(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235861	1	42	-2.0	-126.89	352.47	3.45	-123.44
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235862	1	45	-2.0	-115.15	373.99	5.62	-109.53
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235863	1	44	-2.0	-117.21	367.31	7.14	-110.07
C[C@@H]1CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CC3)=N2)[C@H](C)O1	REAL300013235864	1	39	-2.0	-120.16	335.39	6.29	-113.87
C[C@@H]1CC2=C(SC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N2)[C@H](C)O1	REAL300013235865	1	41	-2.0	-112.78	369.77	7.08	-105.70
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCOC3)=N2)[C@H](C)O1	REAL300013235866	1	40	-2.0	-123.39	335.70	2.34	-121.05
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCCCC3)=N2)[C@H](C)O1	REAL300013235867	1	48	-2.0	-124.85	385.91	6.26	-118.59
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=C(O)C=C3)=N2)[C@H](C)O1	REAL300013235868	1	43	-2.0	-126.10	377.05	3.13	-122.97
C[C@@H]1CC2=C(SC([N-]C(=O)N(C)C(COC3CCC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235869	1	49	-2.0	-117.13	401.74	6.83	-110.30
C=CCOCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235870	1	43	-2.0	-124.71	376.71	3.62	-121.09
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCC(O)C3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235871	1	43	-2.0	-141.77	350.38	4.67	-137.10
C=CC(C)C(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235872	1	42	-2.0	-120.57	358.93	4.94	-115.63
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCOCC3)=N2)[C@H](C)O1	REAL300013235873	1	46	-2.0	-123.63	380.12	3.88	-119.75
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=N2)[C@H](C)O1	REAL300013235874	1	42	-2.0	-117.78	378.93	6.04	-111.74
COC1CCN(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(C(=O)[O-])C1	REAL300013235875	1	46	-2.0	-136.17	375.10	6.23	-129.94
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCCOC3)=N2)[C@H](C)O1	REAL300013235876	1	46	-2.0	-122.03	380.05	3.92	-118.11
CC1CCN(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(C(=O)[O-])C1	REAL300013235877	1	45	-2.0	-137.40	363.50	7.93	-129.47
CC1=CC(C(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(=O)[O-])=CC=C1F	REAL300013235878	1	45	-2.0	-122.47	392.73	6.69	-115.78
CC1=CC(C(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(=O)[O-])=CC(C)=C1	REAL300013235879	1	48	-2.0	-132.30	409.05	7.24	-125.06
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(=O)[O-])C=C1C	REAL300013235880	1	48	-2.0	-131.57	404.67	7.10	-124.47
CC(C)C(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235881	1	41	-2.0	-122.05	341.54	4.24	-117.81
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCCC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235882	1	42	-2.0	-136.94	342.70	7.31	-129.63
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)=N2)[C@H](C)O1	REAL300013235883	1	42	-2.0	-122.07	382.97	6.42	-115.65
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCSCC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235884	1	40	-2.0	-129.20	342.66	7.27	-121.93
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCCC3)=N2)[C@H](C)O1	REAL300013235885	1	45	-2.0	-129.21	359.61	6.00	-123.21
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235886	1	39	-2.0	-130.92	332.80	5.48	-125.44
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCC3)=N2)[C@H](C)O1	REAL300013235887	1	42	-2.0	-129.06	346.03	4.92	-124.14
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCCCC3)=N2)[C@H](C)O1	REAL300013235888	1	48	-2.0	-129.65	365.24	6.66	-122.99
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235889	1	45	-2.0	-123.78	388.22	6.92	-116.86
C[C@@H]1CC2=C(SC([N-]C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)=N2)[C@H](C)O1	REAL300013235890	1	45	-2.0	-121.00	389.07	8.95	-112.05
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=N2)[C@H](C)O1	REAL300013235891	1	42	-2.0	-129.35	365.99	5.98	-123.37
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3)=N2)[C@H](C)O1	REAL300013235892	1	42	-2.0	-129.90	366.23	5.90	-124.00
CCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235893	1	38	-2.0	-120.81	330.10	3.84	-116.97
CC(C)C(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235894	1	41	-2.0	-122.05	341.54	4.24	-117.81
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CO)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235895	1	36	-2.0	-124.70	319.70	-0.34	-125.04
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CO)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235896	1	36	-2.0	-124.70	319.70	-0.34	-125.04
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235897	1	45	-2.0	-123.78	388.22	6.92	-116.86
CCC(C)C(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235898	1	44	-2.0	-122.84	362.30	5.01	-117.83
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCCC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235899	1	42	-2.0	-136.94	342.70	7.31	-129.63
CCCC(C)(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235900	1	44	-2.0	-124.82	355.73	4.93	-119.89
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235901	1	41	-2.0	-119.64	340.37	6.27	-113.37
C[C@@H]1CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CC3)=N2)[C@H](C)O1	REAL300013235902	1	39	-2.0	-120.16	335.39	6.29	-113.87
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235903	1	39	-2.0	-118.57	342.96	6.51	-112.06
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235904	1	44	-2.0	-117.21	367.31	7.14	-110.07
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235905	1	46	-2.0	-138.81	380.75	9.33	-129.48
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235906	1	38	-2.0	-102.26	320.84	3.22	-99.04
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C)(C(=O)[O-])C3CC3)=N2)[C@H](C)O1	REAL300013235907	1	42	-2.0	-127.05	344.34	4.87	-122.18
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CS3)=N2)[C@H](C)O1	REAL300013235908	1	39	-2.0	-126.46	357.84	4.99	-121.47
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCCC3)=N2)[C@H](C)O1	REAL300013235909	1	45	-2.0	-129.21	359.61	6.00	-123.21
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235910	1	41	-2.0	-119.64	340.37	6.27	-113.37
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235911	1	41	-2.0	-118.36	351.64	6.70	-111.66
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235912	1	38	-2.0	-118.59	330.15	5.94	-112.65
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235913	1	36	-2.0	-124.72	319.70	-0.34	-125.06
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235914	1	44	-2.0	-123.97	361.34	4.80	-119.17
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCC3)=N2)[C@H](C)O1	REAL300013235915	1	42	-2.0	-129.06	346.03	4.92	-124.14
C[C@@H]1CC2=C(SC([N-]C(=O)N(CC(=O)[O-])CC3=CC=C(F)C=C3)=N2)[C@H](C)O1	REAL300013235916	1	45	-2.0	-114.93	395.47	9.02	-105.91
CCC(C)(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235917	1	41	-2.0	-123.84	334.23	4.17	-119.67
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)=N2)[C@H](C)O1	REAL300013235918	1	46	-2.0	-133.48	385.75	7.16	-126.32
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)=N2)[C@H](C)O1	REAL300013235919	1	42	-2.0	-127.67	376.86	6.13	-121.54
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)[C@H](C)O1	REAL300013235920	1	45	-2.0	-131.81	374.34	6.65	-125.16
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235921	1	38	-2.0	-118.59	330.15	5.94	-112.65
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235922	1	53	-2.0	-125.55	420.23	7.25	-118.30
C[C@@H]1CC2=C(SC([N-]C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235923	1	40	-2.0	-131.99	341.97	2.47	-129.52
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013235924	1	36	-2.0	-128.44	314.43	3.97	-124.47
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)=N2)[C@H](C)O1	REAL300013235925	1	42	-2.0	-122.07	382.97	6.42	-115.65
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCOCC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235926	1	40	-2.0	-130.38	333.92	4.73	-125.65
C[C@@H]1CC2=C(SC([N-]C(=O)N(C)C3(C(=O)[O-])CCCCC3)=N2)[C@H](C)O1	REAL300013235927	1	48	-2.0	-128.15	370.89	7.49	-120.66
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CC3)=N2)[C@H](C)O1	REAL300013235928	1	39	-2.0	-123.82	336.48	4.33	-119.49
C[C@@H]1CC2=C(SC([N-]C(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])=N2)[C@H](C)O1	REAL300013235929	1	48	-2.0	-121.60	411.55	9.73	-111.87
C[C@@H]1CC2=C(SC([N-]C(=O)N(C)C(C(=O)[O-])C3=CC=CC=C3)=N2)[C@H](C)O1	REAL300013235930	1	45	-2.0	-122.92	378.61	8.38	-114.54
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235931	1	42	-2.0	-117.20	353.34	5.89	-111.31
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCC4=CC=CC=C43)=N2)[C@H](C)O1	REAL300013235932	1	46	-2.0	-136.51	380.81	6.94	-129.57
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235933	1	39	-2.0	-130.32	331.56	5.58	-124.74
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCC[C@@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235934	1	42	-2.0	-136.75	342.71	7.33	-129.42
C[C@@H]1CC2=C(SC([N-]C(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235935	1	40	-2.0	-129.54	342.76	2.17	-127.37
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235936	1	38	-2.0	-111.52	322.73	5.08	-106.44
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235937	1	39	-2.0	-130.34	330.71	5.84	-124.50
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCC3)=N2)[C@H](C)O1	REAL300013235938	1	39	-2.0	-129.45	331.09	4.50	-124.95
C=CCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235939	1	39	-2.0	-120.71	343.14	4.35	-116.36
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCC3(C)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235940	1	42	-2.0	-129.30	347.81	6.40	-122.90
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCCCC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235941	1	45	-2.0	-135.66	355.49	7.62	-128.04
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CC3)=N2)[C@H](C)O1	REAL300013235942	1	39	-2.0	-123.82	336.48	4.33	-119.49
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235943	1	38	-2.0	-111.49	322.75	5.08	-106.41
CCCCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235944	1	44	-2.0	-121.51	372.85	5.44	-116.07
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CC(O)=C3)=N2)[C@H](C)O1	REAL300013235945	1	43	-2.0	-128.62	377.30	3.05	-125.57
C[C@@H]1CC2=C(SC([N-]C(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])=N2)[C@H](C)O1	REAL300013235946	1	48	-2.0	-121.60	411.55	9.73	-111.87
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC[C@@]3(C)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235947	1	42	-2.0	-129.90	347.85	6.39	-123.51
C[C@@H]1CC2=C(SC([N-]C(=O)N(C)C3(C(=O)[O-])CCCCC3)=N2)[C@H](C)O1	REAL300013235948	1	48	-2.0	-128.15	370.89	7.49	-120.66
C[C@@H]1CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CCCC3)=N2)[C@H](C)O1	REAL300013235949	1	45	-2.0	-118.95	366.48	7.52	-111.43
COCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235950	1	39	-2.0	-123.87	341.47	2.07	-121.80
CCCCCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235951	1	47	-2.0	-121.59	394.59	6.17	-115.42
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2)[C@H](C)O1	REAL300013235952	1	44	-2.0	-123.67	359.27	4.96	-118.71
CCC1CCC(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)(C(=O)[O-])CC1	REAL300013235953	1	51	-2.0	-127.66	392.35	6.53	-121.13
C[C@@H]1CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CCOCC3)=N2)[C@H](C)O1	REAL300013235954	1	46	-2.0	-119.01	374.92	5.85	-113.16
C[C@@H]1CC2=C(SC([N-]C(=O)N(C)C3(C(=O)[O-])CCCC3)=N2)[C@H](C)O1	REAL300013235955	1	45	-2.0	-131.06	357.75	6.78	-124.28
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C1CC1	REAL300013235956	1	42	-2.0	-114.81	346.72	6.88	-107.93
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C1CC1	REAL300013235957	1	45	-2.0	-111.99	368.44	8.79	-103.20
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3Cl)=N2)[C@H](C)O1	REAL300013235958	1	42	-2.0	-130.09	378.21	6.35	-123.74
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3F)=N2)[C@H](C)O1	REAL300013235959	1	42	-2.0	-134.45	370.65	6.01	-128.44
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235960	1	46	-2.0	-129.07	383.81	8.56	-120.51
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(=O)[O-])=C1C	REAL300013235961	1	48	-2.0	-130.99	396.92	6.95	-124.04
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235962	1	41	-2.0	-118.36	351.64	6.70	-111.66
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C1CC1	REAL300013235963	1	46	-2.0	-114.02	378.00	7.32	-106.70
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C1CCC1	REAL300013235964	1	45	-2.0	-110.98	363.94	7.02	-103.96
CCCN(C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(COC)C(=O)[O-]	REAL300013235965	1	48	-2.0	-126.50	394.25	7.49	-119.01
CCCN(C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(CC)C(=O)[O-]	REAL300013235966	1	47	-2.0	-121.97	379.24	8.65	-113.32
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235967	1	44	-2.0	-123.14	368.75	5.19	-117.95
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCOCC3)=N2)[C@H](C)O1	REAL300013235968	1	43	-2.0	-124.58	351.03	3.51	-121.07
C=CCCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235969	1	42	-2.0	-121.27	364.41	5.17	-116.10
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CF)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235970	1	35	-2.0	-105.28	312.20	2.82	-102.46
CCC(CC)(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235971	1	44	-2.0	-126.51	350.91	5.04	-121.47
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(=O)[O-])C=C1	REAL300013235972	1	46	-2.0	-126.79	395.78	5.20	-121.59
CCC(COC)(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235973	1	45	-2.0	-128.83	368.92	4.37	-124.46
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3CC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235974	1	42	-2.0	-122.24	362.21	5.28	-116.96
COCCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235975	1	42	-2.0	-119.04	363.77	2.90	-116.14
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235976	1	38	-2.0	-115.90	340.72	4.36	-111.54
CCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)(C(=O)[O-])C1=CC=CC=C1	REAL300013235977	1	48	-2.0	-132.71	391.04	7.54	-125.17
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(=O)[O-])C1	REAL300013235978	1	52	-2.0	-126.73	419.30	5.31	-121.42
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CCF)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235979	1	38	-2.0	-115.69	336.45	4.04	-111.65
COC1(CC(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(=O)[O-])CCC1	REAL300013235980	1	49	-2.0	-125.65	399.47	5.31	-120.34
C[C@@H]1CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CCOCC3)=N2)[C@H](C)O1	REAL300013235981	1	46	-2.0	-119.01	374.92	5.85	-113.16
C[C@@H]1CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CCCCC3)=N2)[C@H](C)O1	REAL300013235982	1	48	-2.0	-120.46	383.89	8.23	-112.23
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)(C(=O)[O-])CC1	REAL300013235983	1	48	-2.0	-130.02	373.42	6.38	-123.64
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(=O)[O-])=C1	REAL300013235984	1	46	-2.0	-131.18	395.54	5.28	-125.90
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235985	1	41	-2.0	-118.49	340.83	4.30	-114.19
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235986	1	43	-2.0	-125.17	365.85	6.85	-118.32
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(=O)[O-])=C1	REAL300013235987	1	46	-2.0	-131.66	395.74	5.19	-126.47
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013235988	1	38	-2.0	-112.44	322.30	5.19	-107.25
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C1	REAL300013235989	1	48	-2.0	-116.49	398.17	7.04	-109.45
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)=N2)[C@H](C)O1	REAL300013235990	1	51	-2.0	-131.40	387.53	6.88	-124.52
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC4CC3(C(=O)[O-])C4)=N2)[C@H](C)O1	REAL300013235991	1	40	-2.0	-134.24	336.76	6.43	-127.81
COC1CN(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(C)(C(=O)[O-])C1	REAL300013235992	1	46	-2.0	-129.07	381.02	5.36	-123.71
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3CCCOC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013235993	1	49	-2.0	-124.20	397.00	5.43	-118.77
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2)[C@H](C)O1	REAL300013235994	1	44	-2.0	-123.67	359.27	4.96	-118.71
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235995	1	39	-2.0	-118.59	358.57	4.96	-113.63
C=C(C)CC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013235996	1	42	-2.0	-120.80	360.29	5.28	-115.52
C[C@@H]1CC2=C(SC([N-]C(=O)N3C4CCC3(C(=O)[O-])CC4)=N2)[C@H](C)O1	REAL300013235997	1	43	-2.0	-137.02	352.85	7.14	-129.88
C[C@@H]1CC2=C(SC([N-]C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235998	1	40	-2.0	-129.71	344.04	2.07	-127.64
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013235999	1	39	-2.0	-119.46	343.68	6.01	-113.45
C[C@@H]1CC2=C(SC([N-]C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236000	1	39	-2.0	-124.71	337.24	5.92	-118.79
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C1	REAL300013236001	1	40	-2.0	-131.36	343.94	6.29	-125.07
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3CCOCC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236002	1	49	-2.0	-122.73	401.54	4.64	-118.09
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236003	1	44	-2.0	-123.14	368.75	5.19	-117.95
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCOCC3)=N2)[C@H](C)O1	REAL300013236004	1	46	-2.0	-123.63	380.12	3.88	-119.75
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3)=N2)[C@H](C)O1	REAL300013236005	1	42	-2.0	-129.90	366.23	5.90	-124.00
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3CC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236006	1	42	-2.0	-122.24	362.21	5.28	-116.96
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3=CN=CS3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236007	1	41	-2.0	-119.99	375.25	3.99	-116.00
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236008	1	50	-2.0	-121.87	411.92	6.74	-115.13
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3CCCO3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236009	1	46	-2.0	-129.10	386.31	4.23	-124.87
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236010	1	39	-2.0	-120.71	336.85	0.94	-119.77
CSCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236011	1	39	-2.0	-121.78	353.57	4.24	-117.54
COC[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236012	1	39	-2.0	-123.85	341.47	2.07	-121.78
CC[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236013	1	38	-2.0	-121.13	329.26	3.85	-117.28
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@H](CC3=CC=C(F)C=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236014	1	45	-2.0	-118.91	394.94	6.92	-111.99
CCC(C)CC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236015	1	47	-2.0	-123.19	386.20	5.81	-117.38
C=CCCCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236016	1	45	-2.0	-121.36	385.91	5.95	-115.41
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@@H](CC3=CC=C(F)C=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236017	1	45	-2.0	-119.34	394.86	6.93	-112.41
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCSCC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236018	1	40	-2.0	-129.20	342.66	7.27	-121.93
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)[C@H](C)O1	REAL300013236019	1	45	-2.0	-131.81	374.34	6.65	-125.16
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236020	1	39	-2.0	-130.32	331.56	5.58	-124.74
CCCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236021	1	41	-2.0	-121.37	351.60	4.60	-116.77
CC(C)[C@@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236022	1	41	-2.0	-121.68	345.22	4.44	-117.24
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])=N2)[C@H](C)O1	REAL300013236023	1	43	-2.0	-137.60	353.70	7.51	-130.09
CCN(C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(C)(C)C(=O)[O-]	REAL300013236024	1	44	-2.0	-126.67	356.55	6.84	-119.83
CCCN(C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(C)C(=O)[O-]	REAL300013236025	1	44	-2.0	-120.74	363.03	7.99	-112.75
CCC[C@@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236026	1	41	-2.0	-121.25	351.35	4.66	-116.59
C[C@@H]1CC2=C(SC([N-]C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236027	1	43	-2.0	-130.22	354.02	6.93	-123.29
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=N2)[C@H](C)O1	REAL300013236028	1	42	-2.0	-129.35	365.99	5.98	-123.37
C[C@@H]1CC2=C(SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236029	1	41	-2.0	-125.75	337.39	6.01	-119.74
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236030	1	39	-2.0	-130.34	330.71	5.84	-124.50
CCC(C)CC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236033	1	47	-2.0	-123.19	386.20	5.81	-117.38
C#CCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236034	1	37	-2.0	-120.90	335.53	4.27	-116.63
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236035	1	48	-2.0	-121.44	401.35	10.07	-111.37
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236036	1	38	-2.0	-111.49	322.75	5.08	-106.41
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236037	1	45	-2.0	-122.96	382.53	5.81	-117.15
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3=CC=NC=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236038	1	44	-2.0	-120.66	383.59	5.09	-115.57
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236039	1	48	-2.0	-115.93	394.07	6.28	-109.65
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236040	1	47	-2.0	-116.03	381.44	7.55	-108.48
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=N3)=N2)[C@H](C)O1	REAL300013236041	1	41	-2.0	-132.08	362.39	4.40	-127.68
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236042	1	48	-2.0	-132.77	385.42	8.42	-124.35
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236043	1	48	-2.0	-121.94	401.31	10.07	-111.87
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3=CC=NC=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236046	1	44	-2.0	-120.66	383.59	5.09	-115.57
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CN=C3)=N2)[C@H](C)O1	REAL300013236047	1	41	-2.0	-125.48	361.16	4.12	-121.36
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236048	1	46	-2.0	-130.63	376.78	6.66	-123.97
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236049	0	46	-2.0	-134.39	385.23	9.67	-124.72
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CCC3=CC=NC=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236050	1	47	-2.0	-120.89	406.14	5.92	-114.97
C=CCCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236051	1	42	-2.0	-121.27	364.41	5.17	-116.10
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3=NC=CS3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236052	1	41	-2.0	-122.94	375.04	3.90	-119.04
CC#CCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236053	1	40	-2.0	-122.92	357.36	5.22	-117.70
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC(=O)N(C)CC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236054	1	43	-2.0	-124.71	358.99	5.21	-119.50
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC[C@]3(C)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236055	1	42	-2.0	-129.31	347.86	6.41	-122.90
CC(C)[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236056	1	41	-2.0	-122.74	342.79	4.17	-118.57
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)=N2)[C@H](C)O1	REAL300013236057	1	42	-2.0	-129.66	365.63	5.94	-123.72
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236058	1	45	-2.0	-127.11	375.62	5.19	-121.92
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236059	1	38	-2.0	-112.44	322.30	5.19	-107.25
CCC[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236060	1	41	-2.0	-121.70	350.76	4.62	-117.08
CCN(C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(C)C(=O)[O-]	REAL300013236061	1	41	-2.0	-122.52	343.61	6.60	-115.92
C[C@@H]1CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CCCC3)=N2)[C@H](C)O1	REAL300013236062	1	45	-2.0	-118.95	366.48	7.52	-111.43
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236063	1	44	-2.0	-123.97	361.34	4.80	-119.17
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236064	1	41	-2.0	-113.33	342.63	6.12	-107.21
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC(CO)C3)=N2)[C@H](C)O1	REAL300013236065	1	43	-2.0	-133.89	361.84	1.67	-132.22
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236066	1	51	-2.0	-127.94	410.54	5.02	-122.92
CC1CCC(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)(C(=O)[O-])C1	REAL300013236067	1	45	-2.0	-130.02	365.41	5.54	-124.48
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCC3(C)C)=N2)[C@H](C)O1	REAL300013236068	1	48	-2.0	-132.22	375.64	6.27	-125.95
COCCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236069	1	42	-2.0	-119.04	363.77	2.90	-116.14
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC(C)(C)C3)=N2)[C@H](C)O1	REAL300013236070	1	45	-2.0	-131.31	367.44	6.20	-125.11
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3(C)CC3)=N2)[C@H](C)O1	REAL300013236071	1	42	-2.0	-125.37	356.41	4.81	-120.56
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236072	1	51	-2.0	-127.70	413.91	5.11	-122.59
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236073	1	40	-2.0	-137.00	341.44	2.37	-134.63
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCOC3)=N2)[C@H](C)O1	REAL300013236074	1	43	-2.0	-121.12	356.60	2.89	-118.23
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=N2)[C@H](C)O1	REAL300013236075	1	43	-2.0	-134.18	353.14	6.98	-127.20
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC4CC3(C(=O)[O-])CO4)=N2)[C@H](C)O1	REAL300013236076	1	41	-2.0	-129.67	344.05	4.71	-124.96
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C1	REAL300013236077	1	45	-2.0	-137.14	363.65	7.81	-129.33
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236078	1	48	-2.0	-125.10	405.26	7.27	-117.83
C[C@@H]1CC2=C(SC([N-]C(=O)N(C)C3(C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013236079	1	39	-2.0	-119.18	338.94	5.75	-113.43
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3CC=CCC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236080	1	49	-2.0	-124.27	398.14	7.64	-116.63
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCC3)=N2)[C@H](C)O1	REAL300013236081	1	42	-2.0	-124.02	354.16	4.83	-119.19
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCCCC3)=N2)[C@H](C)O1	REAL300013236082	1	48	-2.0	-124.85	385.91	6.26	-118.59
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCC3)=N2)[C@H](C)O1	REAL300013236083	1	42	-2.0	-124.02	354.16	4.83	-119.19
CC1CCN(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C1C(=O)[O-]	REAL300013236084	1	42	-2.0	-132.17	352.02	6.16	-126.01
C=CCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236085	1	39	-2.0	-120.71	343.14	4.35	-116.36
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3CCCCO3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236086	1	49	-2.0	-127.12	404.30	5.01	-122.11
C[C@@H]1CC2=C(SC([N-]C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)=N2)[C@H](C)O1	REAL300013236087	1	49	-2.0	-128.41	378.27	7.74	-120.67
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)=N2)[C@H](C)O1	REAL300013236088	1	49	-2.0	-126.22	380.11	4.79	-121.43
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3CC=CCC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236089	1	49	-2.0	-124.27	398.14	7.64	-116.63
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236090	1	45	-2.0	-121.51	394.64	6.99	-114.52
COC1CC(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)(C(=O)[O-])C1	REAL300013236091	1	43	-2.0	-128.78	364.61	3.45	-125.33
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC(F)(F)C3)=N2)[C@H](C)O1	REAL300013236092	1	39	-2.0	-119.45	343.78	4.78	-114.67
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)(C(=O)[O-])C1	REAL300013236093	1	43	-2.0	-131.53	363.52	3.75	-127.78
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)=N2)[C@H](C)O1	REAL300013236094	1	42	-2.0	-118.74	372.91	5.21	-113.53
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236095	1	45	-2.0	-131.64	363.91	7.65	-123.99
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236096	1	38	-2.0	-115.18	345.79	4.61	-110.57
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3CCOC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236097	1	46	-2.0	-122.23	384.08	3.86	-118.37
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])COC3)=N2)[C@H](C)O1	REAL300013236098	1	37	-2.0	-119.97	322.11	1.52	-118.45
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3=CC=CS3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236099	1	42	-2.0	-121.55	380.68	5.84	-115.71
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236100	1	44	-2.0	-125.36	350.97	4.87	-120.49
C[C@@H]1CC2=C(SC([N-]C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236101	1	40	-2.0	-135.38	338.12	7.02	-128.36
C[C@@H]1CC2=C(SC([N-]C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236102	1	43	-2.0	-134.20	353.93	6.63	-127.57
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236103	1	48	-2.0	-121.94	401.31	10.07	-111.87
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3CCCCC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236104	1	51	-2.0	-125.16	410.16	7.10	-118.06
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@@H](CCC3=CC=CC=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236105	1	48	-2.0	-123.86	410.67	7.64	-116.22
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@H](CCC3=CC=CC=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236106	1	48	-2.0	-123.56	411.26	7.68	-115.88
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CC4CCC3C4)=N2)[C@H](C)O1	REAL300013236107	1	49	-2.0	-128.45	392.39	6.51	-121.94
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236108	1	51	-2.0	-124.89	410.41	7.03	-117.86
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236109	1	51	-2.0	-125.27	410.41	7.03	-118.24
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC4(CCCC4)CC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236110	1	49	-2.0	-129.02	393.01	7.86	-121.16
C[C@@H]1CC2=C(SC([N-]C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236111	1	49	-2.0	-135.00	389.57	7.56	-127.44
C=CCSCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236112	1	43	-2.0	-122.36	387.85	5.70	-116.66
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236113	1	44	-2.0	-115.56	357.53	6.95	-108.61
COC1(C(NC(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C(=O)[O-])CCC1	REAL300013236114	1	46	-2.0	-128.59	378.71	3.69	-124.90
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC(C(F)F)C3)=N2)[C@H](C)O1	REAL300013236115	1	42	-2.0	-130.72	363.30	5.33	-125.39
C[C@@H]1CC2=C(SC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013236116	0	42	-2.0	-123.10	361.70	6.19	-116.91
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013236116	1	41	-3.0	-203.68	358.80	4.97	-198.71
C[C@@H]1CC2=C(SC([N-]C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236117	1	39	-2.0	-124.71	337.24	5.92	-118.79
C[C@@H]1CC2=C(SC([N-]C(=O)N3C4C=CC(C4)C3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236118	1	41	-2.0	-124.66	345.96	6.75	-117.91
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C)(C)C3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236119	1	45	-2.0	-133.28	363.35	6.81	-126.47
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC4(CCC4)CCC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236120	1	49	-2.0	-139.15	386.84	8.91	-130.24
CC(C)CCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236121	1	47	-2.0	-121.96	390.42	5.96	-116.00
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC4(CCC4)CC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236122	1	46	-2.0	-128.47	378.05	7.40	-121.07
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3CCOC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236123	1	46	-2.0	-122.23	384.08	3.86	-118.37
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C1	REAL300013236124	1	43	-2.0	-126.57	374.07	7.02	-119.55
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236125	1	39	-2.0	-117.26	336.03	0.48	-116.78
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236126	1	36	-2.0	-124.72	319.70	-0.34	-125.06
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCC4CC43)=N2)[C@H](C)O1	REAL300013236127	1	46	-2.0	-132.28	365.45	6.64	-125.64
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCC4CC43)=N2)[C@H](C)O1	REAL300013236128	1	43	-2.0	-131.03	354.05	5.55	-125.48
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)=N2)[C@H](C)O1	REAL300013236129	1	46	-2.0	-130.69	373.84	6.11	-124.58
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC4(CC3C(=O)[O-])CCCCC4)=N2)[C@H](C)O1	REAL300013236130	1	52	-2.0	-131.61	408.02	8.30	-123.31
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCCC3)=N2)[C@H](C)O1	REAL300013236131	1	45	-2.0	-125.44	371.42	5.50	-119.94
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236132	1	42	-2.0	-124.44	360.10	3.07	-121.37
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236133	1	42	-2.0	-130.61	349.30	5.33	-125.28
C[C@@H]1CC2=C(SC([N-]C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)=N2)[C@H](C)O1	REAL300013236134	1	45	-2.0	-121.00	389.07	8.95	-112.05
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC(C)(C)CC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236135	1	45	-2.0	-129.15	371.68	6.65	-122.50
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(F)(F)CC3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236136	1	42	-2.0	-127.43	354.02	7.34	-120.09
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(F)(F)C3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236137	1	39	-2.0	-124.27	340.64	6.03	-118.24
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236138	1	45	-2.0	-121.51	394.64	6.99	-114.52
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3=CSC=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236139	1	42	-2.0	-121.33	378.52	5.79	-115.54
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236140	1	42	-2.0	-123.35	360.32	6.62	-116.73
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC3=CSC=C3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236141	1	42	-2.0	-121.33	378.52	5.79	-115.54
C[C@@H]1CC2=C(SC([N-]C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236142	1	46	-2.0	-134.72	369.74	7.04	-127.68
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@@H](C(=O)[O-])C3=CC=C(O)C=C3)=N2)[C@H](C)O1	REAL300013236143	1	43	-2.0	-126.21	377.25	3.05	-123.16
COCCCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236144	1	45	-2.0	-122.13	385.03	3.73	-118.40
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236145	1	44	-2.0	-114.35	364.15	6.89	-107.46
CCOCC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013236146	1	42	-2.0	-124.57	363.81	3.04	-121.53
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236147	1	47	-2.0	-123.43	380.57	6.31	-117.12
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCCCO3)=N2)[C@H](C)O1	REAL300013236148	1	46	-2.0	-127.47	377.93	3.94	-123.53
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)=N2)[C@H](C)O1	REAL300013236149	1	46	-2.0	-133.48	385.75	7.16	-126.32
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])=N2)[C@H](C)O1	REAL300013236150	1	43	-2.0	-132.51	353.92	5.44	-127.07
C[C@@H]1CC2=C(SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236151	1	39	-2.0	-114.62	350.69	4.40	-110.22
C[C@@H]1CC2=C(SC([N-]C(=O)N(CC(=O)[O-])CC3=CC=CO3)=N2)[C@H](C)O1	REAL300013236152	1	42	-2.0	-118.55	370.79	7.09	-111.46
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013236153	1	38	-2.0	-111.52	322.73	5.08	-106.44
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C1	REAL300013236154	1	46	-2.0	-126.05	385.06	5.87	-120.18
CN1C=C(C2=CC=NC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)C=N1	REAL300013236436	0	41	-2.0	-127.54	356.21	6.87	-120.67
O=C([O-])C1CC(NC(=O)NC2=CC=CC(CF)=C2)(C(=O)[O-])C1	REAL300013236660	0	35	-2.0	-116.57	307.15	6.63	-109.94
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3CCCC3)C=C2)(C(=O)[O-])C1	REAL300013237164	0	45	-2.0	-116.98	363.14	9.00	-107.98
CC1=NC2=C(F)C=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2S1	REAL300013237480	0	37	-2.0	-122.12	340.80	6.19	-115.93
C=CCN(C(=O)[N-]C1=NC(C)=C(CC)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013237521	1	47	-2.0	-111.98	395.53	10.86	-101.12
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300013237522	1	40	-2.0	-124.39	369.73	7.60	-116.79
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])S1	REAL300013237523	1	46	-2.0	-129.24	398.32	9.27	-119.97
CCC1=C(C)N=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013237524	1	46	-2.0	-124.80	375.61	7.42	-117.38
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013237525	1	43	-2.0	-121.31	367.76	9.98	-111.33
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)S1	REAL300013237526	1	40	-2.0	-129.66	353.87	7.04	-122.62
CCC1=C(C)N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013237527	1	33	-2.0	-115.32	312.45	4.90	-110.42
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300013237528	1	43	-2.0	-132.88	378.23	8.54	-124.34
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300013237529	1	38	-2.0	-122.21	323.34	6.05	-116.16
CCC1=C(C)N=C([N-]C(=O)NC(C)(COC)C(=O)[O-])S1	REAL300013237530	1	37	-2.0	-126.90	318.90	3.82	-123.08
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C)=C(CC)S1	REAL300013237531	1	40	-2.0	-114.93	340.70	5.84	-109.09
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])C(CC)C2=CC=CC=C2)S1	REAL300013237532	1	46	-2.0	-120.00	382.23	9.99	-110.01
CCC1=C(C)N=C([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300013237533	1	36	-2.0	-113.00	336.19	7.46	-105.54
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013237534	1	43	-2.0	-126.20	349.20	6.48	-119.72
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013237535	1	38	-2.0	-127.02	343.26	3.42	-123.60
CCC1=C(C)N=C([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])S1	REAL300013237536	1	44	-2.0	-116.70	368.18	7.20	-109.50
CCC1=C(C)N=C([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)S1	REAL300013237537	1	44	-2.0	-131.15	371.92	10.56	-120.59
C=CCOCC(NC(=O)[N-]C1=NC(C)=C(CC)S1)C(=O)[O-]	REAL300013237538	1	38	-2.0	-124.50	343.14	3.99	-120.51
CCC1=C(C)N=C([N-]C(=O)N2CCCC(O)C2C(=O)[O-])S1	REAL300013237539	1	38	-2.0	-140.96	319.47	4.35	-136.61
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013237540	1	41	-2.0	-125.08	340.44	4.07	-121.01
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300013237541	1	37	-2.0	-118.60	344.36	6.43	-112.17
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300013237542	1	37	-2.0	-119.46	354.85	6.84	-112.62
CCC1=C(C)N=C([N-]C(=O)N2CCC(OC)CC2C(=O)[O-])S1	REAL300013237543	1	41	-2.0	-135.54	341.22	6.62	-128.92
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)S1	REAL300013237544	1	41	-2.0	-121.53	340.41	4.10	-117.43
CCC1=C(C)N=C([N-]C(=O)N2CCC(C)CC2C(=O)[O-])S1	REAL300013237545	1	40	-2.0	-136.94	329.58	8.27	-128.67
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)S1	REAL300013237546	1	40	-2.0	-122.31	359.00	6.96	-115.35
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300013237547	1	42	-2.0	-127.86	367.99	6.16	-121.70
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300013237548	1	43	-2.0	-132.09	375.47	7.61	-124.48
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)S1	REAL300013237549	1	43	-2.0	-131.72	370.48	7.55	-124.17
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)S1	REAL300013237550	1	42	-2.0	-127.05	372.53	3.39	-123.66
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)S1	REAL300013237551	1	41	-2.0	-125.27	377.78	6.13	-119.14
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013237552	1	37	-2.0	-122.30	348.74	6.88	-115.42
CCC1=C(C)N=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013237553	1	35	-2.0	-128.60	308.81	7.65	-120.95
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013237554	1	40	-2.0	-129.09	325.63	6.36	-122.73
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300013237555	1	43	-2.0	-129.52	331.30	7.03	-122.49
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013237556	1	40	-2.0	-123.37	354.05	7.25	-116.12
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013237557	1	40	-2.0	-121.71	355.56	9.32	-112.39
CCC1=C(C)N=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013237558	1	37	-2.0	-129.48	332.46	6.36	-123.12
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013237559	1	37	-2.0	-129.69	332.27	6.27	-123.42
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013237560	1	40	-2.0	-123.37	354.05	7.25	-116.12
CCC1=C(C)N=C([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300013237561	1	41	-2.0	-138.36	346.75	9.74	-128.62
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)S1	REAL300013237562	1	34	-2.0	-126.27	323.28	5.39	-120.88
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300013237563	1	40	-2.0	-129.09	325.63	6.36	-122.73
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)S1	REAL300013237564	1	40	-2.0	-111.09	365.86	9.54	-101.55
CCC1=C(C)N=C([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013237565	1	44	-2.0	-129.25	383.99	7.30	-121.95
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)S1	REAL300013237566	1	48	-2.0	-126.02	414.08	7.92	-118.10
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)S1	REAL300013237567	1	37	-2.0	-122.37	353.31	6.98	-115.39
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300013237568	1	40	-2.0	-110.72	355.55	9.09	-101.63
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013237569	1	41	-2.0	-133.10	351.83	7.52	-125.58
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300013237570	1	37	-2.0	-127.73	343.30	6.50	-121.23
CCC1=C(C)N=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013237571	1	40	-2.0	-131.42	340.77	7.04	-124.38
CCCCCCC(C)(NC(=O)[N-]C1=NC(C)=C(CC)S1)C(=O)[O-]	REAL300013237572	1	48	-2.0	-125.37	386.65	7.61	-117.76
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)S1	REAL300013237573	1	41	-2.0	-123.02	377.63	7.18	-115.84
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013237574	1	37	-2.0	-122.30	348.74	6.88	-115.42
CCC1=C(C)N=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013237575	1	43	-2.0	-128.27	337.05	8.08	-120.19
CCC1=C(C)N=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013237576	1	43	-2.0	-121.87	377.97	10.10	-111.77
CCC1=C(C)N=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013237577	1	40	-2.0	-123.24	341.32	8.17	-115.07
CCC1=C(C)N=C([N-]C(=O)N(CCOC)CC(=O)[O-])S1	REAL300013237578	1	37	-2.0	-119.40	327.93	5.49	-113.91
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)S1	REAL300013237579	1	41	-2.0	-137.17	347.39	7.33	-129.84
CCC1=C(C)N=C([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300013237580	1	44	-2.0	-129.68	388.45	7.15	-122.53
CCC1=C(C)N=C([N-]C(=O)N2CCCCCC2C(=O)[O-])S1	REAL300013237581	1	40	-2.0	-135.34	323.59	8.42	-126.92
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300013237582	1	38	-2.0	-129.41	342.67	3.45	-125.96
CCC1=C(C)N=C([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300013237583	1	43	-2.0	-121.87	377.97	10.10	-111.77
CCC1=C(C)N=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)S1	REAL300013237584	1	43	-2.0	-128.27	337.05	8.08	-120.19
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013237585	1	40	-2.0	-119.11	332.90	7.89	-111.22
CCCCCC(NC(=O)[N-]C1=NC(C)=C(CC)S1)C(=O)[O-]	REAL300013237586	1	42	-2.0	-121.69	361.02	6.54	-115.15
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC(CC)CC2)S1	REAL300013237587	1	46	-2.0	-129.62	364.70	7.62	-122.00
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013237588	1	41	-2.0	-119.23	341.35	6.22	-113.01
CCC1=C(C)N=C([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)S1	REAL300013237589	1	40	-2.0	-132.92	325.03	7.44	-125.48
CCC1=C(C)N=C([N-]C(=O)N(C(CC)C(=O)[O-])C2CC2)S1	REAL300013237590	1	40	-2.0	-116.39	330.97	8.21	-108.18
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)S1	REAL300013237591	1	37	-2.0	-129.74	343.05	6.74	-123.00
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)S1	REAL300013237592	1	37	-2.0	-133.84	336.45	6.43	-127.41
CCC1=C(C)N=C([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013237593	1	41	-2.0	-128.79	349.27	9.09	-119.70
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)S1	REAL300013237594	1	43	-2.0	-130.95	362.28	7.29	-123.66
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300013237595	1	41	-2.0	-125.09	367.38	5.69	-119.40
CCC1=C(C)N=C([N-]C(=O)N(C(COC)C(=O)[O-])C2CC2)S1	REAL300013237596	1	41	-2.0	-113.64	343.52	7.44	-106.20
CCC1=C(C)N=C([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)S1	REAL300013237597	1	40	-2.0	-111.23	330.38	7.39	-103.84
CCCN(C(=O)[N-]C1=NC(C)=C(CC)S1)C(COC)C(=O)[O-]	REAL300013237598	1	43	-2.0	-125.83	360.91	7.95	-117.88
CCCN(C(=O)[N-]C1=NC(C)=C(CC)S1)C(CC)C(=O)[O-]	REAL300013237599	1	42	-2.0	-124.66	346.84	8.61	-116.05
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300013237600	1	38	-2.0	-124.46	317.06	3.87	-120.59
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)S1	REAL300013237601	1	41	-2.0	-126.79	362.20	5.58	-121.21
CCC1=C(C)N=C([N-]C(=O)NC(CC)(COC)C(=O)[O-])S1	REAL300013237602	1	40	-2.0	-128.83	335.57	4.73	-124.10
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)S1	REAL300013237603	1	40	-2.0	-122.97	342.58	2.36	-120.61
CCC1=C(C)N=C([N-]C(=O)NC(CCOC)C(=O)[O-])S1	REAL300013237604	1	37	-2.0	-119.25	329.36	3.29	-115.96
CCC1=C(C)N=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S1	REAL300013237605	1	33	-2.0	-115.71	308.87	4.50	-111.21
CCC1=C(C)N=C([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300013237606	1	43	-2.0	-125.86	374.19	8.44	-117.42
CCC1=C(C)N=C([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013237607	1	43	-2.0	-132.77	357.05	7.91	-124.86
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)S1	REAL300013237608	1	47	-2.0	-127.66	387.63	5.66	-122.00
CCC1=C(C)N=C([N-]C(=O)NC(CC2(OC)CCC2)C(=O)[O-])S1	REAL300013237609	1	44	-2.0	-126.28	366.52	5.56	-120.72
CCC1=C(C)N=C([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013237610	1	44	-2.0	-127.18	375.14	7.77	-119.41
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300013237611	1	41	-2.0	-119.23	341.35	6.22	-113.01
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)S1	REAL300013237612	1	43	-2.0	-120.72	350.32	8.60	-112.12
CCC1=C(C)N=C([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)S1	REAL300013237613	1	43	-2.0	-129.90	339.43	6.74	-123.16
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013237614	1	41	-2.0	-131.24	361.16	5.60	-125.64
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)S1	REAL300013237615	1	37	-2.0	-128.79	346.37	6.80	-121.99
CCC1=C(C)N=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S1	REAL300013237616	1	36	-2.0	-118.34	307.25	4.66	-113.68
CCC1=C(C)N=C([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])S1	REAL300013237617	1	38	-2.0	-125.01	331.87	7.21	-117.80
CCC1=C(C)N=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300013237618	1	41	-2.0	-131.22	361.58	5.61	-125.61
CCC1=C(C)N=C([N-]C(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])S1	REAL300013237619	1	43	-2.0	-131.28	363.48	8.23	-123.05
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])S1	REAL300013237620	1	44	-2.0	-126.20	384.00	6.51	-119.69
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)S1	REAL300013237621	1	46	-2.0	-130.93	353.96	7.25	-123.68
CCC1=C(C)N=C([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])S1	REAL300013237622	1	43	-2.0	-122.80	374.82	7.89	-114.91
CCC1=C(C)N=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300013237623	1	42	-2.0	-129.97	368.62	7.69	-122.28
CCC1=C(C)N=C([N-]C(=O)N2CC(OC)CC2(C)C(=O)[O-])S1	REAL300013237624	1	41	-2.0	-128.65	347.44	5.74	-122.91
CCC1=C(C)N=C([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])S1	REAL300013237625	1	44	-2.0	-124.08	363.29	5.71	-118.37
C=C(Cl)CC(NC(=O)[N-]C1=NC(C)=C(CC)S1)C(=O)[O-]	REAL300013237626	1	34	-2.0	-118.59	325.79	5.27	-113.32
CCC1=C(C)N=C([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)S1	REAL300013237627	1	38	-2.0	-133.97	317.01	7.55	-126.42
CCC1=C(C)N=C([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013237628	1	43	-2.0	-122.58	364.49	7.44	-115.14
CCC1=C(C)N=C([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300013237629	1	34	-2.0	-119.10	309.70	6.37	-112.73
CCC1=C(C)N=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013237630	1	34	-2.0	-124.23	303.60	6.32	-117.91
CCC1=C(C)N=C([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300013237631	1	44	-2.0	-121.04	363.77	5.70	-115.34
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300013237632	1	41	-2.0	-125.08	340.44	4.07	-121.01
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013237633	1	37	-2.0	-129.69	332.27	6.27	-123.42
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300013237634	1	40	-2.0	-124.40	370.99	7.25	-117.15
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])S1	REAL300013237635	1	36	-2.0	-120.88	341.50	4.37	-116.51
CCC1=C(C)N=C([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])S1	REAL300013237636	1	45	-2.0	-122.00	377.75	7.06	-114.94
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])S1	REAL300013237637	1	43	-2.0	-126.88	384.12	7.66	-119.22
CCC1=C(C)N=C([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])S1	REAL300013237638	1	41	-2.0	-128.93	352.47	4.65	-124.28
CCC1=C(C)N=C([N-]C(=O)NC(CSC)C(=O)[O-])S1	REAL300013237639	1	34	-2.0	-121.28	319.31	4.66	-116.62
CCC1=C(C)N=C([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013237640	1	40	-2.0	-118.95	360.72	7.34	-111.61
CCC1=C(C)N=C([N-]C(=O)NC(CC(C)CC)C(=O)[O-])S1	REAL300013237641	1	42	-2.0	-123.77	352.68	6.23	-117.54
C=CCCCC(NC(=O)[N-]C1=NC(C)=C(CC)S1)C(=O)[O-]	REAL300013237642	1	40	-2.0	-121.33	351.50	6.34	-114.99
CCC1=C(C)N=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300013237643	1	40	-2.0	-119.03	361.30	7.30	-111.73
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300013237644	1	43	-2.0	-124.08	373.40	8.67	-115.41
CCC1=C(C)N=C([N-]C(=O)N2CCSCC2C(=O)[O-])S1	REAL300013237645	1	35	-2.0	-128.60	308.81	7.65	-120.95
CCC1=C(C)N=C([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013237646	1	40	-2.0	-131.42	340.77	7.04	-124.38
CCC1=C(C)N=C([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])S1	REAL300013237647	1	38	-2.0	-136.95	318.86	7.89	-129.06
CCC1=C(C)N=C([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])S1	REAL300013237648	1	42	-2.0	-122.03	354.00	7.79	-114.24
CCC1=C(C)N=C([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])S1	REAL300013237649	1	38	-2.0	-130.63	321.46	7.14	-123.49
CCC1=C(C)N=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013237650	1	37	-2.0	-129.48	332.46	6.36	-123.12
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300013237651	1	40	-2.0	-120.34	371.43	7.29	-113.05
CCC1=C(C)N=C([N-]C(=O)NC(CC(C)CC)C(=O)[O-])S1	REAL300013237654	1	42	-2.0	-123.77	352.68	6.23	-117.54
CCC1=C(C)N=C([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])S1	REAL300013237655	1	43	-2.0	-117.88	359.76	9.17	-108.71
CCC1=C(C)N=C([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])S1	REAL300013237656	1	40	-2.0	-122.68	349.20	6.10	-116.58
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013237657	1	39	-2.0	-120.21	350.07	5.45	-114.76
CCC1=C(C)N=C([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])S1	REAL300013237658	1	43	-2.0	-115.82	361.47	6.70	-109.12
CCC1=C(C)N=C([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])S1	REAL300013237659	1	42	-2.0	-116.06	347.87	7.93	-108.13
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)S1	REAL300013237660	1	36	-2.0	-132.40	328.42	4.76	-127.64
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C)=C(CC)S1	REAL300013237661	1	43	-2.0	-132.21	351.32	8.58	-123.63
CCC1=C(C)N=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013237662	1	43	-2.0	-118.07	360.77	9.35	-108.72
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300013237665	1	39	-2.0	-120.21	350.07	5.45	-114.76
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)S1	REAL300013237666	1	36	-2.0	-125.75	327.19	4.48	-121.27
CCC1=C(C)N=C([N-]C(=O)N2CCCC2(COC)C(=O)[O-])S1	REAL300013237667	1	41	-2.0	-130.03	343.53	7.03	-123.00
CCC1=C(C)N=C([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])S1	REAL300013237668	0	41	-2.0	-133.73	351.07	10.22	-123.51
CCC1=C(C)N=C([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])S1	REAL300013237669	0	44	-2.0	-123.58	361.38	9.54	-114.04
CCC1=C(C)N=C([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])S1	REAL300013237670	1	42	-2.0	-121.02	372.17	6.28	-114.74
CCC1=C(C)N=C([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300013237671	1	36	-2.0	-122.71	341.47	4.23	-118.48
CCC1=C(C)N=C([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300013237672	1	37	-2.0	-114.77	360.99	6.04	-108.73
CCC1=C(C)N=C([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])S1	REAL300013237673	1	38	-2.0	-124.67	325.09	5.58	-119.09
CCC1=C(C)N=C([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300013237674	1	37	-2.0	-129.53	332.05	6.31	-123.22
CCC1=C(C)N=C([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])S1	REAL300013237675	1	40	-2.0	-126.93	342.13	5.57	-121.36
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300013237676	1	40	-2.0	-119.11	332.90	7.89	-111.22
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)S1	REAL300013237677	1	38	-2.0	-131.02	329.92	2.16	-128.86
CCC1=C(C)N=C([N-]C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300013237678	1	46	-2.0	-128.78	380.51	10.41	-118.37
CCC1=C(C)N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)S1	REAL300013237679	1	46	-2.0	-127.64	376.27	5.44	-122.20
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)S1	REAL300013237680	1	40	-2.0	-129.51	332.19	5.89	-123.62
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)S1	REAL300013237681	1	43	-2.0	-132.44	340.10	6.52	-125.92
CCC1=C(C)N=C([N-]C(=O)NC(CCOC)C(=O)[O-])S1	REAL300013237682	1	37	-2.0	-119.25	329.36	3.29	-115.96
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300013237683	1	40	-2.0	-130.40	333.68	6.55	-123.85
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)S1	REAL300013237684	1	47	-2.0	-138.86	381.55	8.62	-130.24
CCC1=C(C)N=C([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)S1	REAL300013237685	1	46	-2.0	-127.76	380.41	5.49	-122.27
CCC1=C(C)N=C([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])S1	REAL300013237686	1	45	-2.0	-130.10	376.58	10.16	-119.94
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCOC2)S1	REAL300013237687	1	38	-2.0	-119.82	323.75	3.14	-116.68
CCC1=C(C)N=C([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])S1	REAL300013237688	1	38	-2.0	-133.60	319.50	7.38	-126.22
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300013237689	1	41	-2.0	-135.67	363.80	6.34	-129.33
CCC1=C(C)N=C([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)S1	REAL300013237690	1	36	-2.0	-129.45	310.97	5.01	-124.44
CCC1=C(C)N=C([N-]C(=O)N2CC(C)CCC2C(=O)[O-])S1	REAL300013237691	1	40	-2.0	-137.05	325.39	8.49	-128.56
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)S1	REAL300013237692	1	43	-2.0	-124.41	370.03	7.57	-116.84
CCC1=C(C)N=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013237693	1	44	-2.0	-124.69	367.97	7.36	-117.33
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)S1	REAL300013237694	1	50	-2.0	-127.59	389.54	6.93	-120.66
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300013237695	1	43	-2.0	-126.20	349.20	6.48	-119.72
CCC1=C(C)N=C([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300013237696	1	44	-2.0	-126.10	368.36	5.92	-120.18
CCC1=C(C)N=C([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)S1	REAL300013237697	1	44	-2.0	-133.00	354.45	8.40	-124.60
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)S1	REAL300013237698	1	44	-2.0	-125.57	346.14	5.17	-120.40
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])S1	REAL300013237699	1	43	-2.0	-125.07	385.37	8.76	-116.31
CCC1=C(C)N=C([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])S1	REAL300013237700	1	44	-2.0	-129.70	366.84	9.57	-120.13
CCC1=C(C)N=C([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300013237701	1	44	-2.0	-124.69	367.97	7.36	-117.33
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013237702	1	40	-2.0	-120.89	361.12	7.35	-113.54
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(OC)C2)S1	REAL300013237703	1	38	-2.0	-125.29	328.83	3.72	-121.57
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)S1	REAL300013237704	1	34	-2.0	-121.93	305.68	4.88	-117.05
CCC1=C(C)N=C([N-]C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)S1	REAL300013237705	1	38	-2.0	-125.11	328.71	3.72	-121.39
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)S1	REAL300013237706	1	37	-2.0	-119.83	334.48	5.99	-113.84
CCC1=C(C)N=C([N-]C(=O)N2CCCC2(CC)C(=O)[O-])S1	REAL300013237707	1	40	-2.0	-131.24	327.44	7.69	-123.55
CCC1=C(C)N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300013237708	1	33	-2.0	-115.32	312.45	4.90	-110.42
CCC1=C(C)N=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013237709	1	41	-2.0	-122.35	349.93	4.21	-118.14
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])S1	REAL300013237710	1	37	-2.0	-121.73	346.18	6.32	-115.41
CCC1=C(C)N=C([N-]C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013237711	1	44	-2.0	-132.58	373.07	6.20	-126.38
CCC1=C(C)N=C([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013237712	1	38	-2.0	-134.16	320.55	7.02	-127.14
CCC1=C(C)N=C([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])S1	REAL300013237713	1	43	-2.0	-118.07	360.77	9.35	-108.72
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])S1	REAL300013237714	1	44	-2.0	-125.26	393.73	6.79	-118.47
CCC1=C(C)N=C([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300013237715	1	46	-2.0	-124.80	375.61	7.42	-117.38
CCC1=C(C)N=C([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013237716	1	43	-2.0	-123.62	376.69	8.00	-115.62
CCC1=C(C)N=C([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300013237717	1	43	-2.0	-123.49	377.68	8.06	-115.43
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300013237718	1	44	-2.0	-127.32	358.31	7.06	-120.26
CCC1=C(C)N=C([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013237719	1	46	-2.0	-125.01	376.47	7.40	-117.61
CCC1=C(C)N=C([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300013237720	1	46	-2.0	-124.80	376.01	7.43	-117.37
CCC1=C(C)N=C([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])S1	REAL300013237721	1	44	-2.0	-130.37	360.16	8.22	-122.15
CCC1=C(C)N=C([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])S1	REAL300013237722	1	44	-2.0	-134.50	354.74	8.05	-126.45
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)S1	REAL300013237723	1	44	-2.0	-129.70	396.61	6.81	-122.89
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])S1	REAL300013237724	1	44	-2.0	-122.88	384.21	6.58	-116.30
C=CCSCC(NC(=O)[N-]C1=NC(C)=C(CC)S1)C(=O)[O-]	REAL300013237725	1	38	-2.0	-121.92	353.59	6.11	-115.81
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])S1	REAL300013237726	1	41	-2.0	-117.76	375.51	7.68	-110.08
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])S1	REAL300013237727	1	44	-2.0	-136.18	386.63	7.41	-128.77
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2(OC)CCC2)S1	REAL300013237728	1	41	-2.0	-122.84	343.46	3.84	-119.00
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)S1	REAL300013237729	1	43	-2.0	-127.74	357.24	7.17	-120.57
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)S1	REAL300013237730	1	44	-2.0	-133.46	363.54	8.29	-125.17
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)S1	REAL300013237731	1	37	-2.0	-130.28	329.65	5.71	-124.57
CCC1=C(C)N=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013237732	0	37	-2.0	-128.67	329.37	6.64	-122.03
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300013237732	1	36	-3.0	-206.62	326.52	5.46	-201.16
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300013237733	1	49	-2.0	-129.55	408.26	8.67	-120.88
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300013237734	1	46	-2.0	-129.54	392.53	8.20	-121.34
CCC1=C(C)N=C([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300013237735	1	34	-2.0	-124.23	303.60	6.32	-117.91
CCC1=C(C)N=C([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])S1	REAL300013237736	1	36	-2.0	-128.99	313.61	7.07	-121.92
CCC1=C(C)N=C([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])S1	REAL300013237737	1	40	-2.0	-133.52	330.69	6.99	-126.53
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(C)=C(CC)S2)C(=O)[O-])C=C1	REAL300013237738	1	44	-2.0	-126.73	383.38	6.56	-120.17
CCC1=C(C)N=C([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])S1	REAL300013237739	1	44	-2.0	-139.61	354.26	9.37	-130.24
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300013237740	1	44	-2.0	-125.36	367.40	7.82	-117.54
CCC1=C(C)N=C([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])S1	REAL300013237741	1	44	-2.0	-130.07	375.11	7.27	-122.80
CCC1=C(C)N=C([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])S1	REAL300013237742	1	40	-2.0	-122.05	368.27	7.26	-114.79
CCC1=C(C)N=C([N-]C(=O)NC(CCC(C)C)C(=O)[O-])S1	REAL300013237743	1	42	-2.0	-122.03	356.25	6.29	-115.74
CCC1=C(C)N=C([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])S1	REAL300013237744	1	41	-2.0	-131.28	346.35	7.76	-123.52
CCC1=C(C)N=C([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300013237745	1	41	-2.0	-122.35	349.93	4.21	-118.14
CCC1=C(C)N=C([N-]C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])S1	REAL300013237746	1	38	-2.0	-126.06	339.82	7.37	-118.69
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)S1	REAL300013237747	1	41	-2.0	-132.09	331.87	7.01	-125.08
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)S1	REAL300013237748	1	38	-2.0	-130.69	318.53	6.12	-124.57
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300013237749	1	41	-2.0	-131.69	345.92	6.73	-124.96
CCC1=C(C)N=C([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300013237750	1	47	-2.0	-131.27	373.61	8.72	-122.55
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCC2)S1	REAL300013237751	1	40	-2.0	-125.36	332.33	5.72	-119.64
CCC1=C(C)N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S1	REAL300013237752	1	37	-2.0	-124.23	326.52	3.45	-120.78
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300013237753	1	40	-2.0	-121.71	355.56	9.32	-112.39
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300013237754	1	47	-2.0	-130.15	406.23	9.75	-120.40
CCC1=C(C)N=C([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])S1	REAL300013237755	1	40	-2.0	-128.99	336.92	7.05	-121.94
CCC1=C(C)N=C([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])S1	REAL300013237756	1	41	-2.0	-127.82	357.90	9.56	-118.26
CCC1=C(C)N=C([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])S1	REAL300013237757	1	37	-2.0	-126.78	320.12	7.72	-119.06
CCC1=C(C)N=C([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])S1	REAL300013237758	1	34	-2.0	-126.67	308.41	6.34	-120.33
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300013237759	1	40	-2.0	-120.89	361.12	7.35	-113.54
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013237760	1	37	-2.0	-121.24	345.38	6.15	-115.09
CCC1=C(C)N=C([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])S1	REAL300013237761	1	37	-2.0	-118.47	326.30	6.89	-111.58
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)S1	REAL300013237762	1	41	-2.0	-128.49	359.47	6.92	-121.57
CCC1=C(C)N=C([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])S1	REAL300013237763	1	45	-2.0	-129.40	383.93	8.62	-120.78
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300013237764	1	37	-2.0	-121.24	345.38	6.15	-115.09
CCC1=C(C)N=C([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300013237765	1	41	-2.0	-134.43	335.85	7.38	-127.05
CCC1=C(C)N=C([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)S1	REAL300013237766	1	38	-2.0	-126.26	343.71	3.43	-122.83
CCC1=C(C)N=C([N-]C(=O)NC(CCCOC)C(=O)[O-])S1	REAL300013237767	1	40	-2.0	-122.16	350.86	4.06	-118.10
CCOCC(NC(=O)[N-]C1=NC(C)=C(CC)S1)C(=O)[O-]	REAL300013237768	1	37	-2.0	-124.57	329.75	3.42	-121.15
CCC1=C(C)N=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S1	REAL300013237769	1	42	-2.0	-122.98	346.49	6.64	-116.34
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)S1	REAL300013237770	1	41	-2.0	-127.48	345.25	4.37	-123.11
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300013237771	1	37	-2.0	-124.98	352.96	6.93	-118.05
CCC1=C(C)N=C([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300013237772	1	41	-2.0	-133.10	351.83	7.52	-125.58
CCC1=C(C)N=C([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])S1	REAL300013237773	1	38	-2.0	-132.10	320.50	5.92	-126.18
CCC1=C(C)N=C([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])S1	REAL300013237774	1	40	-2.0	-114.08	339.81	7.40	-106.68
CCC1=C(C)N=C([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)S1	REAL300013237775	1	51	-2.0	-133.15	389.07	8.31	-124.84
CCC1=C(C)N=C([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])S1	REAL300013237776	1	43	-2.0	-126.28	380.26	7.57	-118.71
CCC1=C(C)N=C([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)S1	REAL300013237777	1	37	-2.0	-121.39	337.23	7.46	-113.93
CCC1=C(C)N=C([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])S1	REAL300013237778	1	48	-2.0	-137.68	371.64	8.15	-129.53
CCC1=C(C)N=C([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300013237779	1	39	-2.0	-118.97	366.29	5.83	-113.14
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C)=C(CC)S2)C1	REAL300013237780	1	41	-2.0	-132.26	351.85	6.16	-126.10
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237781	1	54	-2.0	-126.08	429.23	7.67	-118.41
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C(=O)[O-])C=C1	REAL300013237782	1	48	-2.0	-130.87	406.21	7.29	-123.58
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237783	1	41	-2.0	-116.49	364.84	5.15	-111.34
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCSCC1	REAL300013237784	1	46	-2.0	-123.35	376.13	6.32	-117.03
COCC(C)(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237785	1	45	-2.0	-127.98	371.29	4.08	-123.90
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237786	1	48	-2.0	-116.46	393.40	6.07	-110.39
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237787	1	47	-2.0	-120.11	384.86	7.64	-112.47
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CC1	REAL300013237788	1	42	-2.0	-121.26	354.21	6.92	-114.34
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237789	1	44	-2.0	-114.92	388.58	7.71	-107.21
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCOC1	REAL300013237790	1	43	-2.0	-125.22	354.27	3.00	-122.22
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCCCC1	REAL300013237791	1	51	-2.0	-127.70	402.64	6.67	-121.03
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1=CC=C(O)C=C1	REAL300013237792	1	46	-2.0	-127.37	395.84	3.76	-123.61
CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013237793	1	52	-2.0	-118.89	421.17	7.56	-111.33
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237794	1	46	-2.0	-126.28	395.39	4.30	-121.98
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237795	1	46	-2.0	-143.45	369.27	5.33	-138.12
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237796	1	45	-2.0	-121.45	378.93	5.63	-115.82
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCOCC1	REAL300013237797	1	49	-2.0	-126.34	392.84	4.33	-122.01
COC1CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C(C(=O)[O-])C1	REAL300013237798	1	49	-2.0	-139.46	392.25	7.00	-132.46
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCCOC1	REAL300013237799	1	49	-2.0	-122.66	392.79	4.36	-118.30
CC1CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C(C(=O)[O-])C1	REAL300013237800	1	48	-2.0	-138.50	382.40	8.50	-130.00
CC(C)C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237801	1	44	-2.0	-123.56	365.95	5.04	-118.52
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237802	1	45	-2.0	-138.14	361.36	7.92	-130.22
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237803	1	43	-2.0	-130.50	361.59	7.92	-122.58
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCCCC1	REAL300013237804	1	48	-2.0	-130.14	378.42	6.63	-123.51
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237805	1	42	-2.0	-132.11	349.24	6.53	-125.58
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCCC1	REAL300013237806	1	45	-2.0	-129.51	363.91	5.54	-123.97
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCCCCC1	REAL300013237807	1	51	-2.0	-130.69	384.11	7.31	-123.38
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237808	1	48	-2.0	-125.56	406.46	7.50	-118.06
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237809	1	48	-2.0	-123.61	407.95	9.58	-114.03
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1=CC=CC=C1	REAL300013237810	1	45	-2.0	-130.76	385.08	6.53	-124.23
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1=CC=CC=C1	REAL300013237811	1	45	-2.0	-130.73	385.06	6.54	-124.19
CCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237812	1	41	-2.0	-121.79	348.67	4.53	-117.26
CC(C)C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237813	1	44	-2.0	-123.56	365.95	5.04	-118.52
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237814	1	38	-2.0	-118.65	327.14	5.59	-113.06
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237815	1	39	-2.0	-125.42	338.51	0.30	-125.12
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237816	1	39	-2.0	-125.42	338.51	0.30	-125.12
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237817	1	48	-2.0	-125.56	406.46	7.50	-118.06
CC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237818	1	38	-2.0	-107.19	327.39	3.41	-103.78
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237819	1	47	-2.0	-124.82	379.57	5.45	-119.37
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237820	1	38	-2.0	-118.65	327.14	5.59	-113.06
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237821	1	45	-2.0	-138.14	361.36	7.92	-130.22
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237822	1	47	-2.0	-125.92	374.55	5.55	-120.37
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237823	1	44	-2.0	-120.79	359.25	6.91	-113.88
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CC1	REAL300013237824	1	42	-2.0	-121.26	354.21	6.92	-114.34
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237825	1	42	-2.0	-120.64	361.76	7.14	-113.50
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237826	1	47	-2.0	-120.11	384.86	7.64	-112.47
CC(C)(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237827	1	41	-2.0	-103.85	339.65	3.85	-100.00
CC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)(C(=O)[O-])C1CC1	REAL300013237828	1	45	-2.0	-127.73	365.76	5.63	-122.10
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1=CC=CS1	REAL300013237829	1	42	-2.0	-127.35	376.69	5.62	-121.73
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCCCC1	REAL300013237830	1	48	-2.0	-130.14	378.42	6.63	-123.51
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237831	1	44	-2.0	-120.79	359.25	6.91	-113.88
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237832	1	44	-2.0	-120.49	370.45	7.33	-113.16
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237833	1	41	-2.0	-119.74	348.95	6.58	-113.16
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237834	1	39	-2.0	-126.52	338.02	0.30	-126.22
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237835	1	47	-2.0	-125.85	380.15	5.44	-120.41
CC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237836	1	38	-2.0	-107.19	327.39	3.41	-103.78
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCCC1	REAL300013237837	1	45	-2.0	-129.51	363.91	5.54	-123.97
CCC(C)(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237838	1	44	-2.0	-124.87	353.05	4.80	-120.07
CC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013237839	1	48	-2.0	-133.44	393.17	7.29	-126.15
C[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237840	1	38	-2.0	-107.24	326.91	3.47	-103.77
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237841	1	41	-2.0	-119.74	348.95	6.58	-113.16
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237842	1	56	-2.0	-126.64	439.04	7.88	-118.76
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237843	1	43	-2.0	-133.67	360.70	3.09	-130.58
C[C@@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237844	1	38	-2.0	-106.95	327.08	3.46	-103.49
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC1	REAL300013237845	1	39	-2.0	-129.40	333.24	4.61	-124.79
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237846	1	43	-2.0	-131.62	352.63	5.49	-126.13
CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013237847	1	51	-2.0	-129.43	389.83	8.36	-121.07
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CC1	REAL300013237848	1	42	-2.0	-124.51	353.14	4.94	-119.57
CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013237849	1	48	-2.0	-125.18	398.25	8.63	-116.55
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237850	1	45	-2.0	-121.32	380.33	5.75	-115.57
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237851	1	42	-2.0	-131.33	350.29	6.21	-125.12
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237852	1	45	-2.0	-138.03	361.25	7.95	-130.08
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237853	1	43	-2.0	-131.43	361.18	2.88	-128.55
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237854	1	41	-2.0	-113.45	341.00	5.67	-107.78
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237855	1	42	-2.0	-132.10	349.18	6.55	-125.55
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCC1	REAL300013237856	1	42	-2.0	-129.72	350.06	5.12	-124.60
C=CCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237857	1	42	-2.0	-121.97	362.19	4.92	-117.05
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237858	1	45	-2.0	-131.44	366.66	7.04	-124.40
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237859	1	48	-2.0	-136.19	376.52	8.53	-127.66
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CC1	REAL300013237860	1	42	-2.0	-124.51	353.14	4.94	-119.57
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237861	1	41	-2.0	-112.83	341.54	5.71	-107.12
CCCCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237862	1	47	-2.0	-122.66	391.66	6.07	-116.59
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1=CC=CC(O)=C1	REAL300013237863	1	46	-2.0	-129.77	395.87	3.76	-126.01
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237864	1	45	-2.0	-131.52	366.61	7.03	-124.49
CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013237865	1	51	-2.0	-129.43	389.83	8.36	-121.07
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCCC1	REAL300013237866	1	48	-2.0	-121.06	385.29	8.15	-112.91
COCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237867	1	42	-2.0	-124.65	360.63	2.75	-121.90
CCCCCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237868	1	50	-2.0	-122.78	413.16	6.86	-115.92
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237869	1	47	-2.0	-125.54	378.07	5.59	-119.95
CCC1CCC(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)(C(=O)[O-])CC1	REAL300013237870	1	54	-2.0	-130.62	417.48	7.88	-122.74
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCOCC1	REAL300013237871	1	49	-2.0	-121.23	393.73	6.48	-114.75
CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1(C(=O)[O-])CCCC1	REAL300013237872	1	48	-2.0	-133.87	377.81	7.72	-126.15
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CC1	REAL300013237873	1	45	-2.0	-114.86	359.98	6.79	-108.07
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CC1	REAL300013237874	1	48	-2.0	-118.41	383.75	8.48	-109.93
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1=CC=CC=C1F	REAL300013237875	1	45	-2.0	-135.89	389.24	6.70	-129.19
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237876	1	44	-2.0	-120.49	370.45	7.33	-113.16
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CC1	REAL300013237877	1	49	-2.0	-115.21	396.53	7.87	-107.34
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCC1	REAL300013237878	1	48	-2.0	-112.99	382.77	7.66	-105.33
CCCN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(COC)C(=O)[O-]	REAL300013237879	1	51	-2.0	-119.44	409.17	6.98	-112.46
CCCN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(CC)C(=O)[O-]	REAL300013237880	1	50	-2.0	-115.46	396.68	8.28	-107.18
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237881	1	47	-2.0	-124.76	386.77	5.79	-118.97
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCOCC1	REAL300013237882	1	46	-2.0	-125.46	369.85	4.14	-121.32
C=CCCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237883	1	45	-2.0	-122.43	383.22	5.79	-116.64
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237884	1	38	-2.0	-106.52	330.70	3.48	-103.04
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237885	1	47	-2.0	-128.14	369.72	5.69	-122.45
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237886	1	48	-2.0	-131.12	387.96	4.98	-126.14
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237887	1	45	-2.0	-123.40	381.03	5.89	-117.51
COCCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237888	1	45	-2.0	-120.15	382.34	3.59	-116.56
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237889	1	41	-2.0	-116.79	361.26	4.75	-112.04
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237890	1	41	-2.0	-116.81	355.26	4.67	-112.14
COC1(CC(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C(=O)[O-])CCC1	REAL300013237891	1	52	-2.0	-128.36	419.00	5.89	-122.47
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCOCC1	REAL300013237892	1	49	-2.0	-121.23	393.73	6.48	-114.75
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCCCC1	REAL300013237893	1	51	-2.0	-122.66	402.68	8.86	-113.80
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)(C(=O)[O-])CC1	REAL300013237894	1	51	-2.0	-132.26	392.23	7.02	-125.24
CC(CCF)(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237895	1	44	-2.0	-119.50	359.64	4.93	-114.57
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC=C(CC3CCCOC3)S1)OC=C2	REAL300013237896	1	46	-2.0	-127.00	384.66	7.48	-119.52
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237897	1	41	-2.0	-114.24	341.11	5.83	-108.41
CC1(C)CCCC(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)(C(=O)[O-])C1	REAL300013237898	1	54	-2.0	-133.48	406.34	7.51	-125.97
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237899	1	43	-2.0	-136.00	355.83	7.06	-128.94
COC1CN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C(C)(C(=O)[O-])C1	REAL300013237900	1	49	-2.0	-130.88	399.54	6.05	-124.83
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237901	1	52	-2.0	-126.09	416.08	5.97	-120.12
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237902	1	47	-2.0	-125.54	378.07	5.59	-119.95
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237903	1	42	-2.0	-119.82	377.38	5.58	-114.24
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237904	1	45	-2.0	-121.85	380.23	5.84	-116.01
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237905	1	46	-2.0	-135.79	369.40	7.81	-127.98
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237906	1	43	-2.0	-129.90	361.20	2.87	-127.03
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237907	1	42	-2.0	-121.16	362.48	6.65	-114.51
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237908	1	42	-2.0	-126.43	355.66	6.63	-119.80
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013237909	1	43	-2.0	-133.23	362.47	6.99	-126.24
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237910	1	52	-2.0	-124.41	419.54	5.30	-119.11
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237911	1	47	-2.0	-124.76	386.77	5.79	-118.97
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCOCC1	REAL300013237912	1	49	-2.0	-126.34	392.84	4.33	-122.01
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1=CC=CC=C1	REAL300013237913	1	45	-2.0	-130.73	385.06	6.54	-124.19
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237914	1	45	-2.0	-123.40	381.03	5.89	-117.51
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237915	1	44	-2.0	-121.18	394.07	4.62	-116.56
CC(C)CCCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237916	1	53	-2.0	-123.13	430.73	7.37	-115.76
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237917	1	49	-2.0	-130.22	403.14	5.37	-124.85
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237918	1	42	-2.0	-127.86	357.05	1.36	-126.50
CSCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237919	1	42	-2.0	-122.59	372.37	4.88	-117.71
COC[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237920	1	42	-2.0	-125.64	360.76	2.71	-122.93
CC[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237921	1	41	-2.0	-122.94	348.91	4.46	-118.48
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237922	1	50	-2.0	-124.05	405.84	6.42	-117.63
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237923	1	48	-2.0	-122.62	404.72	6.57	-116.05
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237924	1	43	-2.0	-130.50	361.59	7.92	-122.58
CC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013237925	1	48	-2.0	-133.44	393.17	7.29	-126.15
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237926	1	42	-2.0	-131.33	350.29	6.21	-125.12
CCCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237927	1	44	-2.0	-122.42	370.16	5.29	-117.13
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237928	1	44	-2.0	-123.24	360.35	4.87	-118.37
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237929	1	46	-2.0	-139.27	372.23	8.15	-131.12
CCN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(C)(C)C(=O)[O-]	REAL300013237930	1	47	-2.0	-127.71	374.68	7.50	-120.21
CCCN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(C)C(=O)[O-]	REAL300013237931	1	47	-2.0	-115.06	380.18	7.44	-107.62
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237932	1	44	-2.0	-122.34	370.16	5.29	-117.05
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237933	1	46	-2.0	-131.70	372.69	7.61	-124.09
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1=CC=CC=C1	REAL300013237934	1	45	-2.0	-130.76	385.08	6.53	-124.23
CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(C)(C)C(=O)[O-]	REAL300013237935	1	44	-2.0	-126.54	356.19	6.63	-119.91
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237936	1	42	-2.0	-132.10	349.18	6.55	-125.55
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237939	1	50	-2.0	-124.05	405.84	6.42	-117.63
C#CCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237940	1	40	-2.0	-121.67	354.93	4.94	-116.73
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237941	1	41	-2.0	-112.83	341.54	5.71	-107.12
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237942	1	48	-2.0	-124.09	401.17	6.43	-117.66
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237943	1	47	-2.0	-122.33	402.15	5.79	-116.54
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237944	1	51	-2.0	-117.27	413.67	6.83	-110.44
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237945	1	50	-2.0	-116.96	401.19	8.20	-108.76
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1=CC=CC=N1	REAL300013237946	1	44	-2.0	-134.38	381.21	5.03	-129.35
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237947	1	51	-2.0	-133.15	404.11	8.85	-124.30
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237950	1	47	-2.0	-122.33	402.15	5.79	-116.54
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1=CC=CN=C1	REAL300013237951	1	44	-2.0	-126.71	379.97	4.76	-121.95
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237952	1	49	-2.0	-131.22	395.52	7.26	-123.96
C=CCCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237953	1	45	-2.0	-122.43	383.22	5.79	-116.64
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237954	1	44	-2.0	-123.79	393.62	4.54	-119.25
CC#CCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237955	1	43	-2.0	-123.71	377.00	5.83	-117.88
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC1=O	REAL300013237956	1	46	-2.0	-126.20	378.01	5.85	-120.35
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237957	1	45	-2.0	-130.44	366.32	7.09	-123.35
CC(C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237958	1	44	-2.0	-124.61	365.95	5.04	-119.57
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1=CC=CC=C1	REAL300013237959	1	45	-2.0	-131.80	385.04	6.54	-125.26
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237960	1	48	-2.0	-128.33	394.52	5.83	-122.50
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237961	1	41	-2.0	-114.24	341.11	5.83	-108.41
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237962	1	44	-2.0	-123.56	370.40	5.23	-118.33
CCN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(C)C(=O)[O-]	REAL300013237963	1	44	-2.0	-113.94	358.20	6.50	-107.44
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCCC1	REAL300013237964	1	48	-2.0	-121.06	385.29	8.15	-112.91
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237965	1	47	-2.0	-125.85	380.15	5.44	-120.41
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237966	1	44	-2.0	-115.03	361.44	6.75	-108.28
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC(CO)C1	REAL300013237967	1	46	-2.0	-135.99	380.59	2.30	-133.69
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237968	1	54	-2.0	-130.38	432.36	5.72	-124.66
CC1CCC(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)(C(=O)[O-])C1	REAL300013237969	1	48	-2.0	-130.93	383.95	6.14	-124.79
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237970	1	51	-2.0	-134.42	392.78	6.76	-127.66
COCCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237971	1	45	-2.0	-120.15	382.34	3.59	-116.56
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)(C(=O)[O-])C1	REAL300013237972	1	48	-2.0	-131.60	386.46	6.82	-124.78
CC1(C(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C(=O)[O-])CC1	REAL300013237973	1	45	-2.0	-126.18	370.36	5.81	-120.37
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237974	1	54	-2.0	-129.07	432.95	5.68	-123.39
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237975	1	43	-2.0	-137.97	360.22	3.00	-134.97
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCOC1	REAL300013237976	1	46	-2.0	-121.43	381.14	3.51	-117.92
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237977	1	46	-2.0	-135.80	371.90	7.63	-128.17
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(CC3CCCOC3)S1)C2	REAL300013237978	1	44	-2.0	-131.64	364.42	5.13	-126.51
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013237979	1	48	-2.0	-139.04	382.35	8.46	-130.58
CN(C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1(C(=O)[O-])CC1	REAL300013237980	1	42	-2.0	-127.48	356.53	6.34	-121.14
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237981	1	52	-2.0	-126.81	421.50	7.68	-119.13
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCC1	REAL300013237982	1	45	-2.0	-124.80	373.77	5.52	-119.28
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCCCC1	REAL300013237983	1	51	-2.0	-127.70	402.64	6.67	-121.03
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCC1	REAL300013237984	1	45	-2.0	-124.80	373.77	5.52	-119.28
CC1CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1C(=O)[O-]	REAL300013237985	1	45	-2.0	-132.97	363.26	7.03	-125.94
C=CCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237986	1	42	-2.0	-121.97	362.19	4.92	-117.05
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237987	1	52	-2.0	-128.35	423.13	5.64	-122.71
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237988	1	52	-2.0	-129.71	396.71	8.41	-121.30
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)(C(=O)[O-])CCO1	REAL300013237989	1	52	-2.0	-127.81	398.97	5.43	-122.38
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237990	1	52	-2.0	-126.81	421.50	7.68	-119.13
COC1CC(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)(C(=O)[O-])C1	REAL300013237991	1	46	-2.0	-129.79	383.38	4.08	-125.71
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC(F)(F)C1	REAL300013237992	1	42	-2.0	-124.08	358.63	5.15	-118.93
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)(C(=O)[O-])C1	REAL300013237993	1	46	-2.0	-133.31	381.98	4.39	-128.92
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237994	1	48	-2.0	-133.74	379.88	8.25	-125.49
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237995	1	41	-2.0	-116.49	364.84	5.15	-111.34
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237996	1	49	-2.0	-124.05	403.96	4.66	-119.39
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)COC1	REAL300013237997	1	40	-2.0	-121.03	340.86	2.16	-118.87
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013237998	1	45	-2.0	-123.91	399.21	6.53	-117.38
CC(C)C(C)(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237999	1	47	-2.0	-126.43	369.78	5.48	-120.95
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238000	1	43	-2.0	-136.79	356.81	7.67	-129.12
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238001	1	46	-2.0	-135.37	372.41	7.32	-128.05
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238002	1	54	-2.0	-126.08	429.23	7.67	-118.41
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CC2CCC1C2	REAL300013238003	1	52	-2.0	-128.60	409.35	7.13	-121.47
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238004	1	54	-2.0	-126.09	429.26	7.68	-118.41
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238005	1	54	-2.0	-127.01	428.39	7.68	-119.33
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238006	1	52	-2.0	-130.17	411.69	8.51	-121.66
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238007	1	52	-2.0	-135.66	407.22	8.29	-127.37
C=CCSCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013238008	1	46	-2.0	-123.29	406.64	6.34	-116.95
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238009	1	47	-2.0	-114.72	375.82	7.57	-107.15
COC1(C(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C(=O)[O-])CCC1	REAL300013238010	1	49	-2.0	-124.98	395.85	4.10	-120.88
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC(C(F)F)C1	REAL300013238011	1	45	-2.0	-130.48	381.86	5.95	-124.53
O=C([O-])C1CC(NC(=O)NC2=NC=C(CC3CCCOC3)S2)(C(=O)[O-])C1	REAL300013238012	0	45	-2.0	-130.13	382.16	6.92	-123.21
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)(C(=O)[O-])C1	REAL300013238012	1	44	-3.0	-208.65	379.26	5.69	-202.96
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238013	1	42	-2.0	-126.43	355.66	6.63	-119.80
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238014	1	44	-2.0	-128.07	365.34	7.32	-120.75
CC1(C)CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1C(=O)[O-]	REAL300013238015	1	48	-2.0	-134.64	383.48	7.26	-127.38
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238016	1	52	-2.0	-141.58	407.14	9.60	-131.98
CC(C)CCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013238017	1	50	-2.0	-123.16	409.23	6.59	-116.57
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238018	1	49	-2.0	-130.80	397.71	8.00	-122.80
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238019	1	49	-2.0	-124.05	403.96	4.66	-119.39
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013238020	1	46	-2.0	-128.36	392.47	7.71	-120.65
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013238021	1	42	-2.0	-118.64	352.85	1.00	-117.64
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238022	1	39	-2.0	-126.52	338.02	0.30	-126.22
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCCC2CC21	REAL300013238023	1	49	-2.0	-132.79	386.75	7.01	-125.78
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCC2CC21	REAL300013238024	1	46	-2.0	-130.85	372.54	6.14	-124.71
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC2(CCC2)C1	REAL300013238025	1	49	-2.0	-131.69	392.66	6.74	-124.95
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCCC1	REAL300013238026	1	48	-2.0	-126.38	385.11	5.99	-120.39
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013238027	1	45	-2.0	-126.41	378.41	3.69	-122.72
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013238028	1	45	-2.0	-130.02	365.33	5.84	-124.18
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238029	1	48	-2.0	-123.61	407.95	9.58	-114.03
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013238030	1	48	-2.0	-130.03	390.57	7.29	-122.74
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238031	1	45	-2.0	-128.79	372.83	8.08	-120.71
O=C([O-])C1N(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCC1(F)F	REAL300013238032	1	42	-2.0	-129.28	362.04	6.36	-122.92
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238033	1	45	-2.0	-122.15	397.93	6.49	-115.66
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238034	1	45	-2.0	-123.72	379.10	7.25	-116.47
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238035	1	45	-2.0	-122.15	397.93	6.49	-115.66
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238036	1	49	-2.0	-136.35	387.82	7.87	-128.48
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1=CC=C(O)C=C1	REAL300013238037	1	46	-2.0	-127.50	396.08	3.69	-123.81
COCCCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013238038	1	48	-2.0	-123.55	404.08	4.30	-119.25
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238039	1	47	-2.0	-114.73	383.48	7.57	-107.16
CCOCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013238040	1	45	-2.0	-125.55	382.49	3.73	-121.82
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013238041	1	50	-2.0	-124.11	399.50	6.94	-117.17
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CCCCO1	REAL300013238042	1	49	-2.0	-129.19	399.40	4.61	-124.58
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)[C@@H]1C(=O)[O-]	REAL300013238043	1	46	-2.0	-134.01	372.69	6.07	-127.94
N#CCCC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013238044	1	42	-2.0	-115.72	369.76	4.96	-110.76
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238045	1	45	-2.0	-119.92	389.61	7.72	-112.20
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013238046	1	41	-2.0	-113.45	341.00	5.67	-107.78
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013238047	1	49	-2.0	-134.42	404.32	6.48	-127.94
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238048	1	54	-2.0	-123.74	428.47	7.67	-116.07
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C(=O)[O-])C=C1	REAL300013238049	1	48	-2.0	-128.75	406.27	7.28	-121.47
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238050	1	41	-2.0	-113.83	364.68	5.22	-108.61
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCSCC1	REAL300013238051	1	46	-2.0	-121.11	376.17	6.28	-114.83
COCC(C)(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238052	1	45	-2.0	-125.53	371.36	4.06	-121.47
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238053	1	48	-2.0	-114.13	394.08	6.13	-108.00
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238054	1	47	-2.0	-118.20	385.17	7.83	-110.37
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CC1	REAL300013238055	1	42	-2.0	-118.85	354.27	6.90	-111.95
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238056	1	44	-2.0	-111.52	388.65	7.70	-103.82
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCOC1	REAL300013238057	1	43	-2.0	-121.97	354.62	2.92	-119.05
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCCCC1	REAL300013238058	1	51	-2.0	-124.78	402.04	6.73	-118.05
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1=CC=C(O)C=C1	REAL300013238059	1	46	-2.0	-124.87	395.92	3.74	-121.13
CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013238060	1	52	-2.0	-115.45	420.63	7.44	-108.01
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238061	1	46	-2.0	-123.67	395.59	4.23	-119.44
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238062	1	46	-2.0	-140.40	369.33	5.30	-135.10
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238063	1	45	-2.0	-119.04	378.97	5.61	-113.43
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCOCC1	REAL300013238064	1	49	-2.0	-124.24	393.46	4.25	-119.99
COC1CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C(C(=O)[O-])C1	REAL300013238065	1	49	-2.0	-134.70	394.05	6.87	-127.83
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCCOC1	REAL300013238066	1	49	-2.0	-120.58	393.44	4.25	-116.33
CC1CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C(C(=O)[O-])C1	REAL300013238067	1	48	-2.0	-136.31	375.76	8.24	-128.07
CC(C)C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238068	1	44	-2.0	-120.75	360.41	4.85	-115.90
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238069	1	45	-2.0	-135.48	361.57	7.87	-127.61
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238070	1	43	-2.0	-127.79	361.65	7.90	-119.89
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCCCC1	REAL300013238071	1	48	-2.0	-128.12	378.49	6.61	-121.51
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238072	1	42	-2.0	-128.83	349.58	6.45	-122.38
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCCC1	REAL300013238073	1	45	-2.0	-127.15	363.97	5.52	-121.63
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCCCCC1	REAL300013238074	1	51	-2.0	-128.31	384.14	7.28	-121.03
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238075	1	48	-2.0	-122.49	407.35	7.45	-115.04
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238076	1	48	-2.0	-120.13	407.99	9.56	-110.57
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1=CC=CC=C1	REAL300013238077	1	45	-2.0	-128.34	384.67	6.67	-121.67
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1=CC=CC=C1	REAL300013238078	1	45	-2.0	-128.58	385.10	6.52	-122.06
CCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238079	1	41	-2.0	-119.52	348.97	4.45	-115.07
CC(C)C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238080	1	44	-2.0	-120.75	360.41	4.85	-115.90
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238081	1	38	-2.0	-116.25	327.21	5.57	-110.68
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238082	1	39	-2.0	-123.00	338.58	0.28	-122.72
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238083	1	39	-2.0	-123.00	338.58	0.28	-122.72
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238084	1	48	-2.0	-122.49	407.35	7.45	-115.04
CC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238085	1	38	-2.0	-104.43	327.14	3.43	-101.00
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238086	1	47	-2.0	-122.42	379.62	5.42	-117.00
CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238087	1	38	-2.0	-116.25	327.21	5.57	-110.68
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238088	1	45	-2.0	-135.48	361.57	7.87	-127.61
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238089	1	47	-2.0	-123.43	374.61	5.53	-117.90
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238090	1	44	-2.0	-118.35	359.25	6.89	-111.46
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CC1	REAL300013238091	1	42	-2.0	-118.85	354.27	6.90	-111.95
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238092	1	42	-2.0	-117.19	361.83	7.12	-110.07
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238093	1	47	-2.0	-118.20	385.17	7.83	-110.37
CC(C)(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238094	1	41	-2.0	-101.15	339.72	3.83	-97.32
CC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)(C(=O)[O-])C1CC1	REAL300013238095	1	45	-2.0	-125.43	363.21	5.48	-119.95
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1=CC=CS1	REAL300013238096	1	42	-2.0	-125.12	376.31	5.75	-119.37
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCCCC1	REAL300013238097	1	48	-2.0	-128.12	378.49	6.61	-121.51
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238098	1	44	-2.0	-118.35	359.25	6.89	-111.46
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238099	1	44	-2.0	-117.00	370.52	7.32	-109.68
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238100	1	41	-2.0	-117.34	349.02	6.55	-110.79
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238101	1	39	-2.0	-123.61	337.85	0.35	-123.26
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238102	1	47	-2.0	-122.73	380.21	5.41	-117.32
CC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238103	1	38	-2.0	-104.43	327.14	3.43	-101.00
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCCC1	REAL300013238104	1	45	-2.0	-127.15	363.97	5.52	-121.63
CCC(C)(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238105	1	44	-2.0	-122.51	353.11	4.78	-117.73
CC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013238106	1	48	-2.0	-130.15	393.23	7.27	-122.88
C[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238107	1	38	-2.0	-104.74	327.45	3.39	-101.35
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238108	1	41	-2.0	-117.34	349.02	6.55	-110.79
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238109	1	56	-2.0	-124.15	439.10	7.87	-116.28
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238110	1	43	-2.0	-129.88	360.81	3.07	-126.81
C[C@@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238111	1	38	-2.0	-104.42	327.14	3.43	-100.99
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013238112	1	39	-2.0	-126.95	333.29	4.58	-122.37
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238113	1	43	-2.0	-128.91	352.73	5.47	-123.44
CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013238114	1	51	-2.0	-127.11	389.90	8.34	-118.77
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CC1	REAL300013238115	1	42	-2.0	-122.41	352.97	4.99	-117.42
CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013238116	1	48	-2.0	-120.65	394.83	8.45	-112.20
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238117	1	45	-2.0	-117.85	380.39	5.73	-112.12
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238118	1	42	-2.0	-128.84	350.35	6.19	-122.65
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238119	1	45	-2.0	-135.29	361.64	7.88	-127.41
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238120	1	43	-2.0	-127.39	360.84	3.09	-124.30
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238121	1	41	-2.0	-110.95	341.04	5.74	-105.21
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238122	1	42	-2.0	-128.78	349.55	6.47	-122.31
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCC1	REAL300013238123	1	42	-2.0	-127.24	350.13	5.10	-122.14
C=CCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238124	1	42	-2.0	-119.61	362.25	4.90	-114.71
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238125	1	45	-2.0	-128.20	366.73	7.02	-121.18
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238126	1	48	-2.0	-133.71	376.59	8.51	-125.20
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CC1	REAL300013238127	1	42	-2.0	-122.41	352.97	4.99	-117.42
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238128	1	41	-2.0	-110.32	342.11	5.79	-104.53
CCCCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238129	1	47	-2.0	-120.22	391.73	6.05	-114.17
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1=CC=CC(O)=C1	REAL300013238130	1	46	-2.0	-127.22	395.93	3.73	-123.49
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238131	1	45	-2.0	-128.20	366.63	7.01	-121.19
CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013238132	1	51	-2.0	-127.11	389.90	8.34	-118.77
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCCC1	REAL300013238133	1	48	-2.0	-117.22	386.33	8.21	-109.01
COCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238134	1	42	-2.0	-122.10	360.83	2.69	-119.41
CCCCCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238135	1	50	-2.0	-120.22	413.23	6.83	-113.39
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238136	1	47	-2.0	-122.25	378.14	5.56	-116.69
CCC1CCC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)(C(=O)[O-])CC1	REAL300013238137	1	54	-2.0	-128.23	417.56	7.86	-120.37
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCOCC1	REAL300013238138	1	49	-2.0	-117.68	393.79	6.46	-111.22
CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1(C(=O)[O-])CCCC1	REAL300013238139	1	48	-2.0	-129.10	376.54	7.38	-121.72
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CC1	REAL300013238140	1	45	-2.0	-112.47	360.04	6.77	-105.70
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CC1	REAL300013238141	1	48	-2.0	-115.25	383.80	8.47	-106.78
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1=CC=CC=C1F	REAL300013238142	1	45	-2.0	-132.69	389.30	6.68	-126.01
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238143	1	44	-2.0	-117.00	370.52	7.32	-109.68
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CC1	REAL300013238144	1	49	-2.0	-112.97	397.50	7.82	-105.15
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCC1	REAL300013238145	1	48	-2.0	-121.24	382.62	8.63	-112.61
CCCN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(COC)C(=O)[O-]	REAL300013238146	1	51	-2.0	-117.04	409.24	6.96	-110.08
CCCN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(CC)C(=O)[O-]	REAL300013238147	1	50	-2.0	-113.16	396.79	8.17	-104.99
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238148	1	47	-2.0	-121.77	387.63	5.80	-115.97
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCOCC1	REAL300013238149	1	46	-2.0	-123.13	369.91	4.12	-119.01
C=CCCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238150	1	45	-2.0	-119.80	383.04	5.83	-113.97
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238151	1	38	-2.0	-103.89	330.75	3.45	-100.44
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238152	1	47	-2.0	-124.46	369.50	5.67	-118.79
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238153	1	48	-2.0	-127.88	388.03	4.96	-122.92
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238154	1	45	-2.0	-120.88	380.85	5.94	-114.94
COCCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238155	1	45	-2.0	-117.78	382.41	3.57	-114.21
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238156	1	41	-2.0	-114.50	359.36	5.03	-109.47
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238157	1	41	-2.0	-114.42	355.32	4.65	-109.77
COC1(CC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C(=O)[O-])CCC1	REAL300013238158	1	52	-2.0	-125.16	419.06	5.87	-119.29
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCOCC1	REAL300013238159	1	49	-2.0	-117.68	393.79	6.46	-111.22
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCCCC1	REAL300013238160	1	51	-2.0	-118.70	402.75	8.83	-109.87
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)(C(=O)[O-])CC1	REAL300013238161	1	51	-2.0	-128.91	392.28	6.99	-121.92
CC(CCF)(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238162	1	44	-2.0	-117.21	359.70	4.92	-112.29
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC=C(CC3CCOCC3)S1)OC=C2	REAL300013238163	1	46	-2.0	-123.97	384.72	7.46	-116.51
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238164	1	41	-2.0	-110.59	341.60	5.69	-104.90
CC1(C)CCCC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)(C(=O)[O-])C1	REAL300013238165	1	54	-2.0	-130.20	406.41	7.49	-122.71
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238166	1	43	-2.0	-133.32	355.92	7.05	-126.27
COC1CN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C(C)(C(=O)[O-])C1	REAL300013238167	1	49	-2.0	-127.73	399.65	6.04	-121.69
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238168	1	52	-2.0	-122.91	416.14	5.95	-116.96
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238169	1	47	-2.0	-122.25	378.14	5.56	-116.69
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238170	1	42	-2.0	-117.41	377.45	5.56	-111.85
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238171	1	45	-2.0	-119.65	382.13	5.76	-113.89
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238172	1	46	-2.0	-132.97	369.46	7.78	-125.19
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238173	1	43	-2.0	-127.97	361.39	2.86	-125.11
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238174	1	42	-2.0	-118.06	362.55	6.62	-111.44
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238175	1	42	-2.0	-123.16	356.04	6.55	-116.61
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013238176	1	43	-2.0	-130.07	362.52	6.98	-123.09
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238177	1	52	-2.0	-121.45	420.43	5.26	-116.19
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238178	1	47	-2.0	-121.77	387.63	5.80	-115.97
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCOCC1	REAL300013238179	1	49	-2.0	-124.24	393.46	4.25	-119.99
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1=CC=CC=C1	REAL300013238180	1	45	-2.0	-128.58	385.10	6.52	-122.06
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238181	1	45	-2.0	-120.88	380.85	5.94	-114.94
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238182	1	44	-2.0	-119.81	393.95	4.61	-115.20
CC(C)CCCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238183	1	53	-2.0	-120.65	430.79	7.35	-113.30
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238184	1	49	-2.0	-127.90	404.68	4.96	-122.94
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238185	1	42	-2.0	-124.56	357.13	1.34	-123.22
CSCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238186	1	42	-2.0	-120.22	372.67	4.79	-115.43
COC[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238187	1	42	-2.0	-122.72	360.59	2.76	-119.96
CC[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238188	1	41	-2.0	-119.85	347.91	4.54	-115.31
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238189	1	50	-2.0	-121.51	405.67	6.46	-115.05
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238190	1	48	-2.0	-120.06	404.54	6.61	-113.45
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238191	1	43	-2.0	-127.79	361.65	7.90	-119.89
CC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013238192	1	48	-2.0	-130.15	393.23	7.27	-122.88
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238193	1	42	-2.0	-128.84	350.35	6.19	-122.65
CCCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238194	1	44	-2.0	-119.97	370.23	5.27	-114.70
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238195	1	44	-2.0	-121.05	361.07	4.77	-116.28
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238196	1	46	-2.0	-136.04	372.30	8.12	-127.92
CCN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(C)(C)C(=O)[O-]	REAL300013238197	1	47	-2.0	-125.31	374.75	7.47	-117.84
CCCN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(C)C(=O)[O-]	REAL300013238198	1	47	-2.0	-111.67	379.74	7.31	-104.36
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238199	1	44	-2.0	-119.90	370.23	5.27	-114.63
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238200	1	46	-2.0	-128.70	373.68	7.48	-121.22
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1=CC=CC=C1	REAL300013238201	1	45	-2.0	-128.34	384.67	6.67	-121.67
CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(C)(C)C(=O)[O-]	REAL300013238202	1	44	-2.0	-124.14	356.25	6.60	-117.54
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238203	1	42	-2.0	-128.78	349.55	6.47	-122.31
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238206	1	50	-2.0	-121.51	405.67	6.46	-115.05
C#CCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238207	1	40	-2.0	-119.43	355.24	4.86	-114.57
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238208	1	41	-2.0	-110.32	342.11	5.79	-104.53
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238209	1	48	-2.0	-121.70	401.62	6.36	-115.34
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238210	1	47	-2.0	-119.07	402.52	5.69	-113.38
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238211	1	51	-2.0	-114.72	413.74	6.79	-107.93
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238212	1	50	-2.0	-114.38	401.82	8.29	-106.09
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1=CC=CC=N1	REAL300013238213	1	44	-2.0	-131.07	381.27	5.01	-126.06
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238214	1	51	-2.0	-130.79	404.17	8.83	-121.96
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238217	1	47	-2.0	-119.07	402.52	5.69	-113.38
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1=CC=CN=C1	REAL300013238218	1	44	-2.0	-124.24	380.04	4.73	-119.51
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238219	1	49	-2.0	-128.80	395.59	7.23	-121.57
C=CCCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238220	1	45	-2.0	-119.80	383.04	5.83	-113.97
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238221	1	44	-2.0	-121.61	393.92	4.45	-117.16
CC#CCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238222	1	43	-2.0	-121.23	376.83	5.87	-115.36
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1=O	REAL300013238223	1	46	-2.0	-123.58	378.18	5.91	-117.67
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238224	1	45	-2.0	-127.95	366.65	7.01	-120.94
CC(C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238225	1	44	-2.0	-121.17	361.00	4.83	-116.34
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1=CC=CC=C1	REAL300013238226	1	45	-2.0	-128.18	384.49	6.54	-121.64
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238227	1	48	-2.0	-128.27	398.92	5.85	-122.42
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238228	1	41	-2.0	-110.59	341.60	5.69	-104.90
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238229	1	44	-2.0	-120.31	370.22	5.27	-115.04
CCN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(C)C(=O)[O-]	REAL300013238230	1	44	-2.0	-111.54	358.79	6.59	-104.95
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCCC1	REAL300013238231	1	48	-2.0	-117.22	386.33	8.21	-109.01
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238232	1	47	-2.0	-122.73	380.21	5.41	-117.32
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238233	1	44	-2.0	-112.27	361.26	6.96	-105.31
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC(CO)C1	REAL300013238234	1	46	-2.0	-129.79	382.38	2.38	-127.41
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238235	1	54	-2.0	-126.80	431.66	5.78	-121.02
CC1CCC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)(C(=O)[O-])C1	REAL300013238236	1	48	-2.0	-128.53	384.01	6.11	-122.42
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238237	1	51	-2.0	-131.08	392.84	6.75	-124.33
COCCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238238	1	45	-2.0	-117.78	382.41	3.57	-114.21
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)(C(=O)[O-])C1	REAL300013238239	1	48	-2.0	-129.18	386.54	6.80	-122.38
CC1(C(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C(=O)[O-])CC1	REAL300013238240	1	45	-2.0	-123.52	377.70	5.57	-117.95
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238241	1	54	-2.0	-126.36	432.86	5.73	-120.63
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238242	1	43	-2.0	-135.58	360.27	2.99	-132.59
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCOC1	REAL300013238243	1	46	-2.0	-118.47	381.70	3.59	-114.88
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238244	1	46	-2.0	-132.87	371.74	7.58	-125.29
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(CC3CCOCC3)S1)C2	REAL300013238245	1	44	-2.0	-128.51	363.42	5.25	-123.26
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013238246	1	48	-2.0	-136.02	382.42	8.43	-127.59
CN(C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1(C(=O)[O-])CC1	REAL300013238247	1	42	-2.0	-120.52	355.62	6.21	-114.31
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238248	1	52	-2.0	-123.53	420.82	7.61	-115.92
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCC1	REAL300013238249	1	45	-2.0	-122.41	373.84	5.50	-116.91
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCCCC1	REAL300013238250	1	51	-2.0	-124.78	402.04	6.73	-118.05
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCC1	REAL300013238251	1	45	-2.0	-122.41	373.84	5.50	-116.91
CC1CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1C(=O)[O-]	REAL300013238252	1	45	-2.0	-131.60	372.28	6.67	-124.93
C=CCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238253	1	42	-2.0	-119.61	362.25	4.90	-114.71
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238254	1	52	-2.0	-124.94	421.00	6.26	-118.68
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238255	1	52	-2.0	-127.59	396.82	8.40	-119.19
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)(C(=O)[O-])CCO1	REAL300013238256	1	52	-2.0	-124.63	399.03	5.41	-119.22
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238257	1	52	-2.0	-123.53	420.82	7.61	-115.92
COC1CC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)(C(=O)[O-])C1	REAL300013238258	1	46	-2.0	-124.16	381.68	3.97	-120.19
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC(F)(F)C1	REAL300013238259	1	42	-2.0	-120.65	358.52	5.13	-115.52
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)(C(=O)[O-])C1	REAL300013238260	1	46	-2.0	-129.87	382.40	4.35	-125.52
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238261	1	48	-2.0	-130.52	379.95	8.22	-122.30
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238262	1	41	-2.0	-113.83	364.68	5.22	-108.61
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238263	1	49	-2.0	-121.02	402.54	4.52	-116.50
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)COC1	REAL300013238264	1	40	-2.0	-118.52	340.92	2.14	-116.38
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238265	1	45	-2.0	-120.72	399.03	6.57	-114.15
CC(C)C(C)(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238266	1	47	-2.0	-124.29	369.83	5.45	-118.84
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238267	1	43	-2.0	-134.27	356.65	7.71	-126.56
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238268	1	46	-2.0	-132.77	372.68	7.07	-125.70
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238269	1	54	-2.0	-123.74	428.47	7.67	-116.07
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CC2CCC1C2	REAL300013238270	1	52	-2.0	-126.10	409.41	7.11	-118.99
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238271	1	54	-2.0	-123.47	429.07	7.73	-115.74
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238272	1	54	-2.0	-123.77	428.48	7.67	-116.10
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238273	1	52	-2.0	-127.55	411.87	8.48	-119.07
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238274	1	52	-2.0	-133.61	408.38	8.19	-125.42
C=CCSCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238275	1	46	-2.0	-120.75	406.71	6.31	-114.44
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238276	1	47	-2.0	-112.19	375.29	7.44	-104.75
COC1(C(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C(=O)[O-])CCC1	REAL300013238277	1	49	-2.0	-121.71	395.91	4.08	-117.63
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC(C(F)F)C1	REAL300013238278	1	45	-2.0	-123.17	380.21	5.83	-117.34
O=C([O-])C1CC(NC(=O)NC2=NC=C(CC3CCOCC3)S2)(C(=O)[O-])C1	REAL300013238279	0	45	-2.0	-128.48	382.22	6.89	-121.59
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)(C(=O)[O-])C1	REAL300013238279	1	44	-3.0	-202.08	377.60	5.58	-196.50
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238280	1	42	-2.0	-123.16	356.04	6.55	-116.61
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238281	1	44	-2.0	-124.38	365.41	7.29	-117.09
CC1(C)CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1C(=O)[O-]	REAL300013238282	1	48	-2.0	-132.19	383.53	7.24	-124.95
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238283	1	52	-2.0	-137.71	405.81	9.47	-128.24
CC(C)CCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238284	1	50	-2.0	-120.71	409.54	6.51	-114.20
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238285	1	49	-2.0	-129.26	399.22	8.00	-121.26
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238286	1	49	-2.0	-121.02	402.54	4.52	-116.50
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013238287	1	46	-2.0	-125.49	393.85	7.45	-118.04
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238288	1	42	-2.0	-124.65	356.86	1.93	-122.72
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238289	1	39	-2.0	-123.61	337.85	0.35	-123.26
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCCC2CC21	REAL300013238290	1	49	-2.0	-129.48	386.81	6.99	-122.49
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCC2CC21	REAL300013238291	1	46	-2.0	-128.50	372.61	6.12	-122.38
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC2(CCC2)C1	REAL300013238292	1	49	-2.0	-129.28	392.72	6.72	-122.56
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCCC1	REAL300013238293	1	48	-2.0	-123.89	385.17	5.97	-117.92
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238294	1	45	-2.0	-123.12	378.49	3.69	-119.43
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238295	1	45	-2.0	-127.65	363.12	5.63	-122.02
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238296	1	48	-2.0	-120.13	407.99	9.56	-110.57
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013238297	1	48	-2.0	-126.65	389.82	7.31	-119.34
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238298	1	45	-2.0	-126.01	372.98	7.97	-118.04
O=C([O-])C1N(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCC1(F)F	REAL300013238299	1	42	-2.0	-125.77	361.25	6.59	-119.18
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238300	1	45	-2.0	-119.82	397.99	6.47	-113.35
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238301	1	45	-2.0	-121.39	379.15	7.23	-114.16
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238302	1	45	-2.0	-119.82	397.99	6.47	-113.35
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238303	1	49	-2.0	-133.93	387.87	7.85	-126.08
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1=CC=C(O)C=C1	REAL300013238304	1	46	-2.0	-124.84	395.90	3.74	-121.10
COCCCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238305	1	48	-2.0	-120.85	403.90	4.34	-116.51
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238306	1	47	-2.0	-112.22	384.06	7.65	-104.57
CCOCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238307	1	45	-2.0	-122.98	382.68	3.65	-119.33
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238308	1	50	-2.0	-121.81	399.79	6.85	-114.96
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CCCCO1	REAL300013238309	1	49	-2.0	-126.77	399.46	4.58	-122.19
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)[C@@H]1C(=O)[O-]	REAL300013238310	1	46	-2.0	-131.03	372.63	6.03	-125.00
N#CCCC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238311	1	42	-2.0	-113.44	369.83	4.95	-108.49
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238312	1	45	-2.0	-117.29	389.67	7.70	-109.59
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013238313	1	41	-2.0	-110.95	341.04	5.74	-105.21
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013238314	1	49	-2.0	-131.29	404.47	6.48	-124.81
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238315	1	51	-2.0	-125.38	413.98	7.03	-118.35
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238316	1	48	-2.0	-121.69	404.90	9.61	-112.08
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(=O)[O-])C=C1	REAL300013238317	1	45	-2.0	-129.58	391.25	6.59	-122.99
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238318	1	38	-2.0	-114.64	348.44	4.55	-110.09
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCSCC1	REAL300013238319	1	43	-2.0	-121.90	360.44	5.68	-116.22
COCC(C)(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238320	1	42	-2.0	-126.19	355.14	3.39	-122.80
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238321	1	45	-2.0	-115.30	378.77	5.52	-109.78
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238322	1	44	-2.0	-120.15	369.86	7.22	-112.93
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CC1	REAL300013238323	1	39	-2.0	-119.93	338.52	6.29	-113.64
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238324	1	41	-2.0	-113.47	373.34	7.09	-106.38
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCOC1	REAL300013238325	1	40	-2.0	-123.37	338.87	2.30	-121.07
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCCCC1	REAL300013238326	1	48	-2.0	-125.54	385.82	6.06	-119.48
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=C(O)C=C1	REAL300013238327	1	43	-2.0	-125.89	380.61	3.13	-122.76
CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013238328	1	49	-2.0	-116.72	405.93	6.92	-109.80
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238329	1	43	-2.0	-124.41	379.37	3.56	-120.85
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238330	1	43	-2.0	-141.33	353.11	4.63	-136.70
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238331	1	42	-2.0	-119.94	363.67	4.99	-114.95
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCOCC1	REAL300013238332	1	46	-2.0	-125.26	378.15	3.64	-121.62
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=C(F)C(F)=C1	REAL300013238333	1	42	-2.0	-118.81	381.59	5.97	-112.84
COC1CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(C(=O)[O-])C1	REAL300013238334	1	46	-2.0	-136.19	378.31	6.25	-129.94
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCCOC1	REAL300013238335	1	46	-2.0	-121.17	377.55	3.73	-117.44
CC1CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(C(=O)[O-])C1	REAL300013238336	1	45	-2.0	-137.38	366.76	7.86	-129.52
CC1=CC(C(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(=O)[O-])=CC=C1F	REAL300013238337	1	45	-2.0	-121.67	395.62	6.54	-115.13
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(=O)[O-])=C1	REAL300013238338	1	48	-2.0	-131.84	411.08	7.20	-124.64
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(=O)[O-])C=C1C	REAL300013238339	1	48	-2.0	-131.09	407.35	7.04	-124.05
CC(C)C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238340	1	41	-2.0	-122.14	350.70	4.41	-117.73
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238341	1	42	-2.0	-136.80	345.83	7.24	-129.56
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=C(Cl)C=C1	REAL300013238342	1	42	-2.0	-121.85	386.33	6.50	-115.35
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238343	1	40	-2.0	-129.01	345.91	7.28	-121.73
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCCCC1	REAL300013238344	1	45	-2.0	-128.38	362.27	5.94	-122.44
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238345	1	39	-2.0	-130.22	333.84	5.83	-124.39
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCCC1	REAL300013238346	1	42	-2.0	-128.10	348.23	4.90	-123.20
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCCCCC1	REAL300013238347	1	48	-2.0	-129.06	368.83	6.66	-122.40
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238348	1	45	-2.0	-123.99	392.03	6.84	-117.15
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238349	1	45	-2.0	-121.38	391.79	8.89	-112.49
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=CC=C1	REAL300013238350	1	42	-2.0	-129.13	369.59	5.98	-123.15
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=CC=C1	REAL300013238351	1	42	-2.0	-128.79	368.66	5.93	-122.86
CCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238352	1	38	-2.0	-120.10	332.51	3.84	-116.26
CC(C)C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238353	1	41	-2.0	-122.14	350.70	4.41	-117.73
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238354	1	36	-2.0	-123.79	322.36	-0.40	-124.19
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238355	1	36	-2.0	-123.79	322.36	-0.40	-124.19
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238356	1	45	-2.0	-123.99	392.03	6.84	-117.15
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238357	1	44	-2.0	-123.41	364.32	4.81	-118.60
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238358	1	42	-2.0	-136.80	345.83	7.24	-129.56
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238359	1	44	-2.0	-124.10	358.39	4.86	-119.24
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238360	1	41	-2.0	-119.10	343.02	6.22	-112.88
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CC1	REAL300013238361	1	39	-2.0	-119.93	338.52	6.29	-113.64
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238362	1	39	-2.0	-119.19	346.52	6.50	-112.69
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238363	1	44	-2.0	-120.15	369.86	7.22	-112.93
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238364	1	46	-2.0	-138.41	383.34	9.28	-129.13
CC(C)(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238365	1	38	-2.0	-102.12	323.50	3.16	-98.96
CC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)(C(=O)[O-])C1CC1	REAL300013238366	1	42	-2.0	-126.22	350.52	4.99	-121.23
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=CS1	REAL300013238367	1	39	-2.0	-126.39	360.49	4.93	-121.46
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCCCC1	REAL300013238368	1	45	-2.0	-128.38	362.27	5.94	-122.44
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238369	1	41	-2.0	-119.10	343.02	6.22	-112.88
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238370	1	41	-2.0	-119.01	355.20	6.71	-112.30
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238371	1	38	-2.0	-118.33	333.71	5.94	-112.39
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238372	1	36	-2.0	-124.96	323.26	-0.34	-125.30
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238373	1	44	-2.0	-124.16	364.90	4.80	-119.36
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCCC1	REAL300013238374	1	42	-2.0	-128.10	348.23	4.90	-123.20
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238375	1	45	-2.0	-116.04	399.11	9.02	-107.02
CCC(C)(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238376	1	41	-2.0	-123.18	336.89	4.10	-119.08
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC2=CC=CC=C2C1	REAL300013238377	1	46	-2.0	-132.44	388.73	7.17	-125.27
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC(F)=CC=C1F	REAL300013238378	1	42	-2.0	-128.90	379.72	6.01	-122.89
CC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013238379	1	45	-2.0	-131.56	377.92	6.66	-124.90
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238380	1	38	-2.0	-118.33	333.71	5.94	-112.39
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238381	1	53	-2.0	-124.81	422.88	7.19	-117.62
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238382	1	40	-2.0	-130.70	342.40	2.35	-128.35
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013238383	1	36	-2.0	-128.03	317.56	3.96	-124.07
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=C(Cl)C=C1	REAL300013238384	1	42	-2.0	-121.85	386.33	6.50	-115.35
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238385	1	40	-2.0	-129.79	336.47	4.80	-124.99
CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013238386	1	48	-2.0	-127.92	374.59	7.72	-120.20
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CC1	REAL300013238387	1	39	-2.0	-123.45	340.05	4.33	-119.12
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238388	1	48	-2.0	-122.20	415.11	9.73	-112.47
CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013238389	1	45	-2.0	-123.13	382.19	8.37	-114.76
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238390	1	42	-2.0	-119.82	365.08	5.12	-114.70
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCC2=CC=CC=C21	REAL300013238391	1	46	-2.0	-136.91	384.51	6.92	-129.99
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238392	1	39	-2.0	-130.27	335.34	5.41	-124.86
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238393	1	42	-2.0	-135.37	343.21	7.15	-128.22
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238394	1	40	-2.0	-129.58	344.99	2.46	-127.12
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238395	1	38	-2.0	-111.53	326.29	5.08	-106.45
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238396	1	39	-2.0	-130.52	334.07	5.50	-125.02
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCC1	REAL300013238397	1	39	-2.0	-128.27	334.36	4.48	-123.79
C=CCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238398	1	39	-2.0	-120.10	345.79	4.29	-115.81
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238399	1	42	-2.0	-129.44	350.50	6.35	-123.09
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238400	1	45	-2.0	-135.25	360.69	8.05	-127.20
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CC1	REAL300013238401	1	39	-2.0	-123.45	340.05	4.33	-119.12
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238402	1	38	-2.0	-111.49	326.80	5.18	-106.31
CCCCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238403	1	44	-2.0	-121.08	375.75	5.32	-115.76
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=CC(O)=C1	REAL300013238404	1	43	-2.0	-128.21	380.62	3.12	-125.09
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238405	1	48	-2.0	-122.20	415.11	9.73	-112.47
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238406	1	42	-2.0	-129.39	350.33	6.32	-123.07
CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013238407	1	48	-2.0	-127.92	374.59	7.72	-120.20
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCCC1	REAL300013238408	1	45	-2.0	-119.50	370.04	7.51	-111.99
COCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238409	1	39	-2.0	-122.88	344.61	2.01	-120.87
CCCCCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238410	1	47	-2.0	-121.09	397.24	6.10	-114.99
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238411	1	44	-2.0	-123.71	362.84	4.96	-118.75
CCC1CCC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)(C(=O)[O-])CC1	REAL300013238412	1	51	-2.0	-129.22	401.82	7.23	-121.99
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCOCC1	REAL300013238413	1	46	-2.0	-119.66	378.48	5.85	-113.81
CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1(C(=O)[O-])CCCC1	REAL300013238414	1	45	-2.0	-130.54	360.80	6.76	-123.78
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CC1	REAL300013238415	1	42	-2.0	-111.65	351.00	7.63	-104.02
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CC1	REAL300013238416	1	45	-2.0	-116.66	368.08	7.84	-108.82
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=CC=C1Cl	REAL300013238417	1	42	-2.0	-130.01	380.80	6.28	-123.73
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=CC=C1F	REAL300013238418	1	42	-2.0	-133.61	372.50	5.94	-127.67
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238419	1	46	-2.0	-129.06	386.39	8.72	-120.34
CC1=CC=CC(C(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(=O)[O-])=C1C	REAL300013238420	1	48	-2.0	-130.52	397.93	6.87	-123.65
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238421	1	41	-2.0	-119.01	355.20	6.71	-112.30
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CC1	REAL300013238422	1	46	-2.0	-114.21	381.77	7.20	-107.01
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCC1	REAL300013238423	1	45	-2.0	-111.56	367.52	7.02	-104.54
CCCN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(COC)C(=O)[O-]	REAL300013238424	1	48	-2.0	-117.59	392.39	6.19	-111.40
CCCN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(CC)C(=O)[O-]	REAL300013238425	1	47	-2.0	-113.47	380.52	7.58	-105.89
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238426	1	44	-2.0	-123.10	371.53	5.21	-117.89
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCOCC1	REAL300013238427	1	43	-2.0	-124.07	354.17	3.50	-120.57
C=CCCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238428	1	42	-2.0	-120.75	367.06	5.10	-115.65
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238429	1	35	-2.0	-105.04	314.85	2.76	-102.28
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238430	1	44	-2.0	-126.08	353.56	4.99	-121.09
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(=O)[O-])C=C1	REAL300013238431	1	46	-2.0	-126.55	399.09	5.28	-121.27
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238432	1	45	-2.0	-129.10	371.81	4.29	-124.81
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238433	1	42	-2.0	-122.41	363.51	5.34	-117.07
COCCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238434	1	42	-2.0	-118.52	366.18	2.90	-115.62
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238435	1	38	-2.0	-115.36	343.13	4.36	-111.00
CCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013238436	1	48	-2.0	-131.93	393.72	7.49	-124.44
COC1CCCC(C(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(=O)[O-])C1	REAL300013238437	1	52	-2.0	-127.84	423.86	5.23	-122.61
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238438	1	38	-2.0	-115.15	339.10	3.98	-111.17
COC1(CC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(=O)[O-])CCC1	REAL300013238439	1	49	-2.0	-126.33	402.84	5.19	-121.14
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCOCC1	REAL300013238440	1	46	-2.0	-119.66	378.48	5.85	-113.81
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCCCC1	REAL300013238441	1	48	-2.0	-121.09	387.44	8.22	-112.87
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)(C(=O)[O-])CC1	REAL300013238442	1	48	-2.0	-130.18	376.07	6.32	-123.86
COC1=CC=CC(C(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(=O)[O-])=C1	REAL300013238443	1	46	-2.0	-131.06	399.34	5.20	-125.86
CC(CCF)(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238444	1	41	-2.0	-117.84	343.48	4.24	-113.60
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC=C(CC3CCOC3)S1)OC=C2	REAL300013238445	1	43	-2.0	-125.33	368.98	6.84	-118.49
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(=O)[O-])=C1	REAL300013238446	1	46	-2.0	-131.70	399.29	5.20	-126.50
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238447	1	38	-2.0	-112.79	325.86	5.19	-107.60
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013238448	1	48	-2.0	-131.86	400.54	7.84	-124.02
CC1(C)CCCC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)(C(=O)[O-])C1	REAL300013238449	1	51	-2.0	-130.83	390.66	6.87	-123.96
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238450	1	40	-2.0	-134.29	340.58	6.42	-127.87
COC1CN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(C)(C(=O)[O-])C1	REAL300013238451	1	46	-2.0	-128.77	383.66	5.30	-123.47
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238452	1	49	-2.0	-124.17	399.92	5.28	-118.89
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238453	1	44	-2.0	-123.71	362.84	4.96	-118.75
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238454	1	39	-2.0	-117.93	360.98	4.96	-112.97
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238455	1	42	-2.0	-120.45	365.89	5.08	-115.37
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238456	1	43	-2.0	-133.97	354.15	7.17	-126.80
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238457	1	40	-2.0	-127.90	342.84	2.05	-125.85
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238458	1	39	-2.0	-119.27	346.23	5.95	-113.32
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238459	1	39	-2.0	-124.42	339.52	5.91	-118.51
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013238460	1	40	-2.0	-131.17	346.47	6.22	-124.95
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238461	1	49	-2.0	-122.64	404.21	4.58	-118.06
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238462	1	44	-2.0	-123.10	371.53	5.21	-117.89
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCOCC1	REAL300013238463	1	46	-2.0	-125.26	378.15	3.64	-121.62
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=CC=C1	REAL300013238464	1	42	-2.0	-128.79	368.66	5.93	-122.86
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238465	1	42	-2.0	-122.41	363.51	5.34	-117.07
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238466	1	41	-2.0	-121.20	377.81	4.03	-117.17
CC(C)CCCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238467	1	50	-2.0	-121.55	414.81	6.60	-114.95
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238468	1	46	-2.0	-128.61	388.92	4.15	-124.46
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238469	1	39	-2.0	-121.11	339.93	0.94	-120.17
CSCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238470	1	39	-2.0	-121.04	356.45	4.11	-116.93
COC[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238471	1	39	-2.0	-124.04	345.03	2.07	-121.97
CC[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238472	1	38	-2.0	-121.13	332.83	3.85	-117.28
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238473	1	45	-2.0	-118.36	397.35	6.92	-111.44
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238474	1	47	-2.0	-122.39	389.68	5.73	-116.66
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238475	1	45	-2.0	-120.75	388.32	5.94	-114.81
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238476	1	45	-2.0	-119.06	397.29	6.92	-112.14
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238477	1	40	-2.0	-129.01	345.91	7.28	-121.73
CC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013238478	1	45	-2.0	-131.56	377.92	6.66	-124.90
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238479	1	39	-2.0	-130.27	335.34	5.41	-124.86
CCCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238480	1	41	-2.0	-120.92	354.25	4.53	-116.39
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238481	1	41	-2.0	-121.36	348.78	4.44	-116.92
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238482	1	43	-2.0	-137.17	355.97	7.46	-129.71
CCN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(C)(C)C(=O)[O-]	REAL300013238483	1	44	-2.0	-125.95	358.52	6.80	-119.15
CCCN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(C)C(=O)[O-]	REAL300013238484	1	44	-2.0	-113.07	364.02	6.75	-106.32
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238485	1	41	-2.0	-120.69	354.01	4.60	-116.09
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238486	1	43	-2.0	-129.36	356.70	6.85	-122.51
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=CC=C1	REAL300013238487	1	42	-2.0	-129.13	369.59	5.98	-123.15
CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(C)(C)C(=O)[O-]	REAL300013238488	1	41	-2.0	-125.04	340.94	5.99	-119.05
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238489	1	39	-2.0	-130.52	334.07	5.50	-125.02
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238492	1	47	-2.0	-122.39	389.68	5.73	-116.66
C#CCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238493	1	37	-2.0	-120.12	339.02	4.18	-115.94
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238494	1	48	-2.0	-118.45	397.51	8.90	-109.55
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238495	1	38	-2.0	-111.49	326.80	5.18	-106.31
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238496	1	45	-2.0	-122.54	385.25	5.67	-116.87
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238497	1	44	-2.0	-120.05	387.21	5.08	-114.97
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238498	1	48	-2.0	-116.04	399.04	6.28	-109.76
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238499	1	47	-2.0	-115.45	386.51	7.68	-107.77
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=CC=N1	REAL300013238500	1	41	-2.0	-132.30	365.05	4.34	-127.96
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238501	1	48	-2.0	-132.50	388.80	8.31	-124.19
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238502	1	48	-2.0	-118.25	396.85	8.79	-109.46
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238505	1	44	-2.0	-120.05	387.21	5.08	-114.97
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=CN=C1	REAL300013238506	1	41	-2.0	-125.49	363.20	4.08	-121.41
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238507	1	46	-2.0	-130.20	379.82	6.62	-123.58
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238508	0	46	-2.0	-133.84	388.21	9.84	-124.00
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238509	1	47	-2.0	-121.39	409.11	5.87	-115.52
C=CCCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238510	1	42	-2.0	-120.75	367.06	5.10	-115.65
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238511	1	41	-2.0	-122.34	377.70	3.78	-118.56
CC#CCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238512	1	40	-2.0	-121.95	360.61	5.20	-116.75
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1=O	REAL300013238513	1	43	-2.0	-124.88	362.44	5.29	-119.59
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238514	1	42	-2.0	-128.39	347.94	6.27	-122.12
CC(C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238515	1	41	-2.0	-122.35	344.78	4.16	-118.19
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=CC=C1	REAL300013238516	1	42	-2.0	-129.72	369.19	5.95	-123.77
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238517	1	45	-2.0	-129.76	383.62	5.23	-124.53
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238518	1	38	-2.0	-112.79	325.86	5.19	-107.60
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238519	1	41	-2.0	-121.77	354.33	4.62	-117.15
CCN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(C)C(=O)[O-]	REAL300013238520	1	41	-2.0	-112.25	342.06	5.81	-106.44
O=C([O-])CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCCC1	REAL300013238521	1	45	-2.0	-119.50	370.04	7.51	-111.99
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238522	1	44	-2.0	-124.16	364.90	4.80	-119.36
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238523	1	41	-2.0	-113.55	346.16	6.27	-107.28
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC(CO)C1	REAL300013238524	1	43	-2.0	-130.90	366.63	1.77	-129.13
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238525	1	51	-2.0	-128.31	416.23	5.08	-123.23
CC1CCC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)(C(=O)[O-])C1	REAL300013238526	1	45	-2.0	-129.14	367.79	5.44	-123.70
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238527	1	48	-2.0	-132.25	376.62	6.06	-126.19
COCCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238528	1	42	-2.0	-118.52	366.18	2.90	-115.62
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)(C(=O)[O-])C1	REAL300013238529	1	45	-2.0	-130.19	370.78	6.19	-124.00
CC1(C(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(=O)[O-])CC1	REAL300013238530	1	42	-2.0	-125.22	357.26	5.19	-120.03
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238531	1	51	-2.0	-127.61	418.00	5.06	-122.55
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238532	1	40	-2.0	-136.47	344.61	2.35	-134.12
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCOC1	REAL300013238533	1	43	-2.0	-118.92	363.75	2.86	-116.06
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238534	1	43	-2.0	-133.82	355.73	6.94	-126.88
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(CC3CCOC3)S1)C2	REAL300013238535	1	41	-2.0	-129.51	347.18	4.69	-124.82
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013238536	1	45	-2.0	-137.34	366.67	7.81	-129.53
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238537	1	48	-2.0	-125.64	408.82	7.25	-118.39
CN(C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1(C(=O)[O-])CC1	REAL300013238538	1	39	-2.0	-121.92	339.86	5.60	-116.32
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238539	1	49	-2.0	-125.15	406.34	6.98	-118.17
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCC1	REAL300013238540	1	42	-2.0	-123.08	357.62	4.82	-118.26
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCCCC1	REAL300013238541	1	48	-2.0	-125.54	385.82	6.06	-119.48
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCC1	REAL300013238542	1	42	-2.0	-123.08	357.62	4.82	-118.26
CC1CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1C(=O)[O-]	REAL300013238543	1	42	-2.0	-131.16	347.58	6.39	-124.77
C=CCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238544	1	39	-2.0	-120.10	345.79	4.29	-115.81
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238545	1	49	-2.0	-127.20	406.11	4.96	-122.24
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238546	1	49	-2.0	-128.57	378.62	7.59	-120.98
CC1(C)CC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)(C(=O)[O-])CCO1	REAL300013238547	1	49	-2.0	-125.20	383.25	4.78	-120.42
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238548	1	49	-2.0	-125.15	406.34	6.98	-118.17
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238549	1	45	-2.0	-120.75	398.50	6.92	-113.83
COC1CC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)(C(=O)[O-])C1	REAL300013238550	1	43	-2.0	-128.08	367.21	3.39	-124.69
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC(F)(F)C1	REAL300013238551	1	39	-2.0	-121.66	342.78	4.51	-117.15
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)(C(=O)[O-])C1	REAL300013238552	1	43	-2.0	-124.48	365.71	3.32	-121.16
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1(C(F)(F)F)CC1	REAL300013238553	1	42	-2.0	-119.59	371.62	5.59	-114.00
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238554	1	45	-2.0	-131.12	364.74	7.64	-123.48
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238555	1	38	-2.0	-114.64	348.44	4.55	-110.09
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238556	1	46	-2.0	-121.93	387.22	3.91	-118.02
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)COC1	REAL300013238557	1	37	-2.0	-119.55	325.18	1.52	-118.03
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238558	1	42	-2.0	-121.12	384.05	5.90	-115.22
CC(C)C(C)(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238559	1	44	-2.0	-124.70	352.72	4.78	-119.92
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238560	1	40	-2.0	-135.11	341.36	7.02	-128.09
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238561	1	43	-2.0	-133.16	354.27	6.35	-126.81
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238562	1	48	-2.0	-118.25	396.85	8.79	-109.46
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238563	1	51	-2.0	-125.38	413.98	7.03	-118.35
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238564	1	48	-2.0	-123.95	414.23	7.64	-116.31
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238565	1	48	-2.0	-123.26	414.82	7.68	-115.58
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CC2CCC1C2	REAL300013238566	1	49	-2.0	-128.19	395.95	6.48	-121.71
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238567	1	51	-2.0	-124.14	412.86	7.06	-117.08
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238568	1	51	-2.0	-125.40	413.99	7.03	-118.37
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238569	1	49	-2.0	-127.84	396.02	7.87	-119.97
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238570	1	49	-2.0	-134.20	391.89	7.67	-126.53
C=CCSCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238571	1	43	-2.0	-121.52	390.49	5.64	-115.88
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238572	1	44	-2.0	-113.01	359.07	6.77	-106.24
COC1(C(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C(=O)[O-])CCC1	REAL300013238573	1	46	-2.0	-122.93	379.69	3.41	-119.52
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC(C(F)F)C1	REAL300013238574	1	42	-2.0	-124.13	364.46	5.21	-118.92
O=C([O-])C1CC(NC(=O)NC2=NC=C(CC3CCOC3)S2)(C(=O)[O-])C1	REAL300013238575	0	42	-2.0	-124.22	365.11	6.16	-118.06
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)(C(=O)[O-])C1	REAL300013238575	1	41	-3.0	-203.28	361.86	4.96	-198.32
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238576	1	39	-2.0	-124.42	339.52	5.91	-118.51
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238577	1	41	-2.0	-125.56	349.19	6.62	-118.94
CC1(C)CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1C(=O)[O-]	REAL300013238578	1	45	-2.0	-133.45	370.41	6.53	-126.92
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238579	1	49	-2.0	-139.34	389.92	8.87	-130.47
CC(C)CCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238580	1	47	-2.0	-121.55	393.31	5.83	-115.72
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238581	1	46	-2.0	-129.48	382.00	7.34	-122.14
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238582	1	46	-2.0	-121.93	387.22	3.91	-118.02
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013238583	1	43	-2.0	-126.65	377.18	7.00	-119.65
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238584	1	39	-2.0	-126.57	343.62	0.59	-125.98
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238585	1	36	-2.0	-124.96	323.26	-0.34	-125.30
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCCC2CC21	REAL300013238586	1	46	-2.0	-132.47	368.07	6.58	-125.89
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCC2CC21	REAL300013238587	1	43	-2.0	-129.06	356.38	5.45	-123.61
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC2(CCC2)C1	REAL300013238588	1	46	-2.0	-129.89	376.50	6.05	-123.84
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC=C(CC3CCOC3)S1)CCCCC2	REAL300013238589	1	52	-2.0	-129.56	410.33	8.33	-121.23
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCCC1	REAL300013238590	1	45	-2.0	-124.90	369.87	5.36	-119.54
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238591	1	42	-2.0	-124.67	363.66	3.07	-121.60
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238592	1	42	-2.0	-127.50	347.27	5.04	-122.46
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238593	1	45	-2.0	-121.38	391.79	8.89	-112.49
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013238594	1	45	-2.0	-127.18	374.08	6.68	-120.50
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238595	1	42	-2.0	-127.43	357.16	7.43	-120.00
O=C([O-])C1N(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCC1(F)F	REAL300013238596	1	39	-2.0	-127.12	345.93	5.98	-121.14
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238597	1	45	-2.0	-120.75	398.50	6.92	-113.83
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238598	1	42	-2.0	-121.52	382.91	5.75	-115.77
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238599	1	42	-2.0	-118.74	363.44	6.51	-112.23
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238600	1	42	-2.0	-121.52	382.91	5.75	-115.77
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238601	1	46	-2.0	-134.96	372.46	7.25	-127.71
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1=CC=C(O)C=C1	REAL300013238602	1	43	-2.0	-125.76	379.94	3.00	-122.76
COCCCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238603	1	45	-2.0	-121.64	387.68	3.67	-117.97
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238604	1	44	-2.0	-113.34	368.24	6.93	-106.41
CCOCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238605	1	42	-2.0	-123.80	366.33	3.04	-120.76
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238606	1	47	-2.0	-122.80	384.49	6.25	-116.55
O=C([O-])C(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CCCCO1	REAL300013238607	1	46	-2.0	-127.55	384.41	4.39	-123.16
O=C([O-])C1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC2=CC=CC=C2C1	REAL300013238608	1	46	-2.0	-132.44	388.73	7.17	-125.27
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)[C@@H]1C(=O)[O-]	REAL300013238609	1	43	-2.0	-132.16	357.16	5.48	-126.68
N#CCCC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238610	1	39	-2.0	-114.15	353.36	4.34	-109.81
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238611	1	42	-2.0	-121.01	373.44	7.02	-113.99
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013238612	1	38	-2.0	-111.53	326.29	5.08	-106.45
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013238613	1	46	-2.0	-131.58	385.94	5.66	-125.92
O=C([O-])C1CC(NC(=O)NC2=CN(CC3CCC3)N=C2)(C(=O)[O-])C1	REAL300013238866	0	42	-2.0	-122.46	351.02	6.50	-115.96
O=C([O-])C1CC(NC(=O)NC2=CC=C(N3C=CC=C3)C(Cl)=C2)(C(=O)[O-])C1	REAL300013239169	0	40	-2.0	-123.06	359.73	9.31	-113.75
CCC1=NC=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013239549	0	37	-2.0	-114.01	314.17	5.66	-108.35
CCCC(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013240064	0	43	-2.0	-138.50	365.59	7.97	-130.53
CC1(C)CC2=C(SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240114	1	44	-2.0	-115.52	381.76	5.69	-109.83
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCSCC3)=N2)C(C)(C)O1	REAL300013240115	1	49	-2.0	-122.95	393.38	6.81	-116.14
COCC(C)(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240116	1	48	-2.0	-127.37	389.05	4.57	-122.80
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240117	1	51	-2.0	-115.08	411.37	6.71	-108.37
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240118	1	50	-2.0	-119.90	402.06	8.34	-111.56
CC1(C)CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CC3)=N2)C(C)(C)O1	REAL300013240119	1	45	-2.0	-120.73	371.46	7.41	-113.32
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCOC3)=N2)C(C)(C)O1	REAL300013240120	1	46	-2.0	-123.65	371.92	3.43	-120.22
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCCCC3)=N2)C(C)(C)O1	REAL300013240121	1	54	-2.0	-126.82	420.43	7.17	-119.65
C=CCOCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240122	1	49	-2.0	-124.81	412.79	4.75	-120.06
CC1(C)CC2=C(SC([N-]C(=O)N3CCCC(O)C3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240123	1	49	-2.0	-141.76	389.67	5.03	-136.73
C=CC(C)C(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240124	1	48	-2.0	-123.34	392.89	5.84	-117.50
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCOCC3)=N2)C(C)(C)O1	REAL300013240125	1	52	-2.0	-126.11	410.36	4.75	-121.36
COC1CCN(C(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)C(C(=O)[O-])C1	REAL300013240126	1	52	-2.0	-136.23	411.98	7.35	-128.88
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCCOC3)=N2)C(C)(C)O1	REAL300013240127	1	52	-2.0	-122.49	410.33	4.78	-117.71
CC1CCN(C(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)C(C(=O)[O-])C1	REAL300013240128	1	51	-2.0	-137.59	400.44	9.05	-128.54
CC(C)C(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240129	1	47	-2.0	-122.76	378.77	5.29	-117.47
CC1(C)CC2=C(SC([N-]C(=O)N3CCCCC3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240130	1	48	-2.0	-137.11	378.88	8.38	-128.73
CC1(C)CC2=C(SC([N-]C(=O)N3CCSCC3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240131	1	46	-2.0	-129.38	379.10	8.42	-120.96
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCCC3)=N2)C(C)(C)O1	REAL300013240132	1	51	-2.0	-129.80	395.93	7.13	-122.67
CC1(C)CC2=C(SC([N-]C(=O)N3CCCC3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240133	1	45	-2.0	-130.46	366.86	6.97	-123.49
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCC3)=N2)C(C)(C)O1	REAL300013240134	1	48	-2.0	-129.30	381.17	6.02	-123.28
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCCCC3)=N2)C(C)(C)O1	REAL300013240135	1	54	-2.0	-130.42	401.34	7.78	-122.64
CC1(C)CC2=C(SC([N-]C(=O)NCC(=O)[O-])=N2)C(C)(C)O1	REAL300013240136	1	38	-2.0	-104.63	324.04	3.13	-101.50
CC1(C)CC2=C(SC([N-]C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=N2)C(C)(C)O1	REAL300013240137	1	48	-2.0	-129.95	402.21	7.11	-122.84
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3)=N2)C(C)(C)O1	REAL300013240138	1	48	-2.0	-129.96	402.81	7.04	-122.92
CCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240139	1	44	-2.0	-121.24	366.66	4.97	-116.27
CC(C)C(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240140	1	47	-2.0	-122.76	378.77	5.29	-117.47
CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240141	1	41	-2.0	-117.92	344.92	6.09	-111.83
CC1(C)CC2=C(SC([N-]C(=O)NC(CO)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240142	1	42	-2.0	-124.78	355.78	0.79	-123.99
CC1(C)CC2=C(SC([N-]C(=O)NC(CO)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240143	1	42	-2.0	-124.78	355.78	0.79	-123.99
CC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240144	1	41	-2.0	-105.74	344.67	3.97	-101.77
CCC(C)C(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240145	1	50	-2.0	-124.09	397.31	5.94	-118.15
CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240146	1	41	-2.0	-117.92	344.92	6.09	-111.83
CC1(C)CC2=C(SC([N-]C(=O)N3CCCCC3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240147	1	48	-2.0	-137.11	378.88	8.38	-128.73
CCCC(C)(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240148	1	50	-2.0	-125.32	392.30	6.04	-119.28
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240149	1	47	-2.0	-120.01	376.96	7.41	-112.60
CC1(C)CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CC3)=N2)C(C)(C)O1	REAL300013240150	1	45	-2.0	-120.73	371.46	7.41	-113.32
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240151	1	45	-2.0	-118.85	378.71	7.63	-111.22
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240152	1	50	-2.0	-119.90	402.06	8.34	-111.56
CC(C)(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240153	1	44	-2.0	-102.43	357.41	4.35	-98.08
CC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)(C(=O)[O-])C1CC1	REAL300013240154	1	48	-2.0	-127.18	380.48	5.99	-121.19
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CS3)=N2)C(C)(C)O1	REAL300013240155	1	45	-2.0	-126.54	393.84	6.16	-120.38
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCCC3)=N2)C(C)(C)O1	REAL300013240156	1	51	-2.0	-129.80	395.93	7.13	-122.67
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240157	1	47	-2.0	-120.01	376.96	7.41	-112.60
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240158	1	47	-2.0	-118.65	387.40	7.82	-110.83
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240159	1	44	-2.0	-119.24	365.90	7.07	-112.17
CC1(C)CC2=C(SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240160	1	42	-2.0	-124.87	355.88	0.79	-124.08
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240161	1	50	-2.0	-124.13	397.47	5.92	-118.21
CC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240162	1	41	-2.0	-105.74	344.67	3.97	-101.77
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCC3)=N2)C(C)(C)O1	REAL300013240163	1	48	-2.0	-129.30	381.17	6.02	-123.28
CCC(C)(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240164	1	47	-2.0	-124.37	370.80	5.29	-119.08
C[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240165	1	41	-2.0	-105.85	344.28	3.96	-101.89
CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240166	1	44	-2.0	-119.24	365.90	7.07	-112.17
CC1(C)CC2=C(SC([N-]C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240167	1	46	-2.0	-133.37	377.35	3.25	-130.12
C[C@@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240168	1	41	-2.0	-106.14	344.71	3.90	-102.24
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC3)=N2)C(C)(C)O1	REAL300013240169	1	42	-2.0	-128.99	350.49	5.09	-123.90
CC1(C)CC2=C(SC([N-]C(=O)N3CCOCC3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240170	1	46	-2.0	-130.70	370.49	5.99	-124.71
CN(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C1(C(=O)[O-])CCCCC1	REAL300013240171	1	54	-2.0	-128.93	407.35	8.85	-120.08
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CC3)=N2)C(C)(C)O1	REAL300013240172	1	45	-2.0	-123.26	373.12	5.44	-117.82
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240173	1	48	-2.0	-119.50	397.28	6.24	-113.26
CC1(C)CC2=C(SC([N-]C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240174	1	45	-2.0	-131.74	365.99	6.65	-125.09
CC1(C)CC2=C(SC([N-]C(=O)N3CCCC[C@@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240175	1	48	-2.0	-137.34	378.80	8.45	-128.89
CC1(C)CC2=C(SC([N-]C(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240176	1	46	-2.0	-129.57	377.15	3.57	-126.00
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240177	1	44	-2.0	-112.01	359.37	6.30	-105.71
CC1(C)CC2=C(SC([N-]C(=O)N3CCC[C@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240178	1	45	-2.0	-131.07	367.55	6.71	-124.36
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCC3)=N2)C(C)(C)O1	REAL300013240179	1	45	-2.0	-129.32	367.40	5.61	-123.71
C=CCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240180	1	45	-2.0	-121.09	379.98	5.42	-115.67
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240181	1	48	-2.0	-129.81	384.33	7.53	-122.28
CC1(C)CC2=C(SC([N-]C(=O)N3CCCCCC3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240182	1	51	-2.0	-136.10	394.13	9.19	-126.91
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CC3)=N2)C(C)(C)O1	REAL300013240183	1	45	-2.0	-123.26	373.12	5.44	-117.82
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240184	1	44	-2.0	-112.48	358.89	6.32	-106.16
CCCCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240185	1	50	-2.0	-122.01	409.66	6.51	-115.50
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240186	1	48	-2.0	-128.52	381.67	7.96	-120.56
CN(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C1(C(=O)[O-])CCCCC1	REAL300013240187	1	54	-2.0	-128.93	407.35	8.85	-120.08
CC1(C)CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CCCC3)=N2)C(C)(C)O1	REAL300013240188	1	51	-2.0	-119.09	403.07	8.65	-110.44
COCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240189	1	45	-2.0	-123.87	378.03	3.20	-120.67
CCCCCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240190	1	53	-2.0	-122.03	431.16	7.30	-114.73
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240191	1	50	-2.0	-123.71	395.85	6.09	-117.62
CC1(C)CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CCOCC3)=N2)C(C)(C)O1	REAL300013240192	1	52	-2.0	-120.52	411.23	7.35	-113.17
CN(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C1(C(=O)[O-])CCCC1	REAL300013240193	1	51	-2.0	-130.78	393.73	7.89	-122.89
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C1CC1	REAL300013240194	1	48	-2.0	-112.20	383.92	8.76	-103.44
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C1CC1	REAL300013240195	1	51	-2.0	-116.71	401.01	8.97	-107.74
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240196	1	47	-2.0	-118.65	387.40	7.82	-110.83
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C1CC1	REAL300013240197	1	52	-2.0	-114.00	413.56	8.20	-105.80
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C1CCC1	REAL300013240198	1	51	-2.0	-111.24	400.17	8.22	-103.02
CCCN(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(COC)C(=O)[O-]	REAL300013240199	1	54	-2.0	-126.67	431.10	8.65	-118.02
CCCN(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(CC)C(=O)[O-]	REAL300013240200	1	53	-2.0	-114.60	415.91	8.95	-105.65
CC1(C)CC2=C(SC([N-]C(=O)NCC(=O)[O-])=N2)C(C)(C)O1	REAL300013240201	1	38	-2.0	-104.63	324.04	3.13	-101.50
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240202	1	50	-2.0	-123.27	404.98	6.26	-117.01
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCOCC3)=N2)C(C)(C)O1	REAL300013240203	1	49	-2.0	-125.17	387.10	4.63	-120.54
C=CCCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240204	1	48	-2.0	-121.76	400.97	6.30	-115.46
CC1(C)CC2=C(SC([N-]C(=O)NC(CF)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240205	1	41	-2.0	-105.27	348.45	3.97	-101.30
CCC(CC)(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240206	1	50	-2.0	-126.29	387.19	6.19	-120.10
CCC(COC)(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240207	1	51	-2.0	-129.22	405.49	5.50	-123.72
CC1(C)CC2=C(SC([N-]C(=O)NC(CC3CC3)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240208	1	48	-2.0	-122.70	397.46	6.54	-116.16
COCCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240209	1	48	-2.0	-119.54	399.50	4.04	-115.50
CC1(C)CC2=C(SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240210	1	44	-2.0	-116.30	376.44	5.51	-110.79
CC1(C)CC2=C(SC([N-]C(=O)NC(CCF)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240211	1	44	-2.0	-116.21	373.25	5.11	-111.10
CC1(C)CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CCOCC3)=N2)C(C)(C)O1	REAL300013240212	1	52	-2.0	-120.52	411.23	7.35	-113.17
CC1(C)CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CCCCC3)=N2)C(C)(C)O1	REAL300013240213	1	54	-2.0	-120.75	420.44	9.35	-111.40
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)(C(=O)[O-])CC1	REAL300013240214	1	54	-2.0	-128.01	409.23	7.85	-120.16
CC(CCF)(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240215	1	47	-2.0	-119.00	377.39	5.43	-113.57
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240216	1	44	-2.0	-112.55	358.48	6.32	-106.23
CC1(C)CC2=C(SC([N-]C(=O)N3CC4CC3(C(=O)[O-])C4)=N2)C(C)(C)O1	REAL300013240217	1	46	-2.0	-134.92	373.62	7.57	-127.35
COC1CN(C(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)C(C)(C(=O)[O-])C1	REAL300013240218	1	52	-2.0	-125.32	417.12	6.55	-118.77
CC(C)(C)[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240219	1	50	-2.0	-123.71	395.85	6.09	-117.62
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240220	1	45	-2.0	-118.96	395.93	6.02	-112.94
C=C(C)CC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240221	1	48	-2.0	-121.24	399.68	6.18	-115.06
CC1(C)CC2=C(SC([N-]C(=O)N3C4CCC3(C(=O)[O-])CC4)=N2)C(C)(C)O1	REAL300013240222	1	49	-2.0	-134.81	386.36	8.29	-126.52
CC1(C)CC2=C(SC([N-]C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240223	1	46	-2.0	-129.97	379.20	3.32	-126.65
CC1(C)CC2=C(SC([N-]C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240224	1	45	-2.0	-120.17	378.05	7.09	-113.08
CC1(C)CC2=C(SC([N-]C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240225	1	45	-2.0	-124.90	373.61	7.06	-117.84
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)C1	REAL300013240226	1	46	-2.0	-131.58	381.34	7.47	-124.11
CC(C)C[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240227	1	50	-2.0	-123.27	404.98	6.26	-117.01
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCOCC3)=N2)C(C)(C)O1	REAL300013240228	1	52	-2.0	-126.11	410.36	4.75	-121.36
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3)=N2)C(C)(C)O1	REAL300013240229	1	48	-2.0	-129.96	402.81	7.04	-122.92
CC1(C)CC2=C(SC([N-]C(=O)NC(CC3CC3)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240230	1	48	-2.0	-122.70	397.46	6.54	-116.16
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240231	1	56	-2.0	-122.46	448.73	7.81	-114.65
CC1(C)CC2=C(SC([N-]C(=O)NC(CC3CCCO3)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240232	1	52	-2.0	-129.49	422.63	5.42	-124.07
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240233	1	45	-2.0	-126.00	374.81	1.86	-124.14
CSCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240234	1	45	-2.0	-121.69	389.46	5.42	-116.27
COC[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240235	1	45	-2.0	-124.00	377.64	3.19	-120.81
CC[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240236	1	44	-2.0	-121.35	366.57	5.02	-116.33
CCC(C)CC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240237	1	53	-2.0	-124.12	422.82	6.99	-117.13
C=CCCCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240238	1	51	-2.0	-121.70	421.64	7.09	-114.61
CC1(C)CC2=C(SC([N-]C(=O)N3CCSCC3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240239	1	46	-2.0	-129.38	379.10	8.42	-120.96
CC1(C)CC2=C(SC([N-]C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240240	1	45	-2.0	-131.74	365.99	6.65	-125.09
CCCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240241	1	47	-2.0	-121.81	388.16	5.73	-116.08
CC(C)[C@@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240242	1	47	-2.0	-122.24	381.39	5.56	-116.68
CC1(C)CC2=C(SC([N-]C(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])=N2)C(C)(C)O1	REAL300013240243	1	49	-2.0	-138.86	390.91	8.86	-130.00
CCN(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(C)(C)C(=O)[O-]	REAL300013240244	1	50	-2.0	-127.12	392.46	7.99	-119.13
CCCN(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(C)C(=O)[O-]	REAL300013240245	1	50	-2.0	-121.70	400.90	8.92	-112.78
CCC[C@@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240246	1	47	-2.0	-121.94	387.49	5.78	-116.16
CC1(C)CC2=C(SC([N-]C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240247	1	49	-2.0	-131.17	391.09	8.00	-123.17
CC1(C)CC2=C(SC([N-]C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=N2)C(C)(C)O1	REAL300013240248	1	48	-2.0	-129.95	402.21	7.11	-122.84
CN(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(C)(C)C(=O)[O-]	REAL300013240249	1	47	-2.0	-125.98	373.96	7.12	-118.86
CC1(C)CC2=C(SC([N-]C(=O)N3CCC[C@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240250	1	45	-2.0	-131.07	367.55	6.71	-124.36
CCC(C)CC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240253	1	53	-2.0	-124.12	422.82	6.99	-117.13
C#CCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240254	1	43	-2.0	-121.14	372.93	5.38	-115.76
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240255	1	44	-2.0	-112.48	358.89	6.32	-106.16
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240256	1	51	-2.0	-123.40	417.91	6.86	-116.54
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240257	1	54	-2.0	-115.86	431.14	7.35	-108.51
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240258	1	53	-2.0	-114.52	417.04	8.74	-105.78
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=N3)=N2)C(C)(C)O1	REAL300013240259	1	47	-2.0	-131.63	396.48	5.89	-125.74
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240260	1	54	-2.0	-132.85	421.00	9.43	-123.42
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3=CC=CN=C3)=N2)C(C)(C)O1	REAL300013240262	1	47	-2.0	-127.46	397.48	5.63	-121.83
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240263	1	52	-2.0	-130.87	412.87	7.78	-123.09
C=CCCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240264	1	48	-2.0	-121.76	400.97	6.30	-115.46
CC#CCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240265	1	46	-2.0	-122.93	393.93	6.35	-116.58
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)CC1=O	REAL300013240266	1	49	-2.0	-125.33	395.49	6.42	-118.91
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240267	1	48	-2.0	-129.64	384.57	7.50	-122.14
CC(C)[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240268	1	47	-2.0	-123.01	378.82	5.30	-117.71
CC1(C)CC2=C(SC([N-]C(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)=N2)C(C)(C)O1	REAL300013240269	1	48	-2.0	-129.88	401.75	7.06	-122.82
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240270	1	44	-2.0	-112.55	358.48	6.32	-106.23
CCC[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240271	1	47	-2.0	-121.78	386.94	5.75	-116.03
CCN(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(C)C(=O)[O-]	REAL300013240272	1	47	-2.0	-123.13	380.10	7.78	-115.35
CC1(C)CC2=C(SC([N-]C(=O)N(CC(=O)[O-])C3CCCC3)=N2)C(C)(C)O1	REAL300013240273	1	51	-2.0	-119.09	403.07	8.65	-110.44
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240274	1	50	-2.0	-124.13	397.47	5.92	-118.21
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240275	1	47	-2.0	-113.40	379.33	7.26	-106.14
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC(CO)C3)=N2)C(C)(C)O1	REAL300013240276	1	49	-2.0	-131.85	399.68	2.90	-128.95
CC1CCC(NC(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)(C(=O)[O-])C1	REAL300013240277	1	51	-2.0	-129.97	401.41	6.66	-123.31
CC1(C)CCCC1(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240278	1	54	-2.0	-133.01	411.39	7.39	-125.62
COCCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240279	1	48	-2.0	-119.54	399.50	4.04	-115.50
CC1(C)CC(NC(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)(C(=O)[O-])C1	REAL300013240280	1	51	-2.0	-131.23	403.84	7.32	-123.91
CC1(C(NC(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)C(=O)[O-])CC1	REAL300013240281	1	48	-2.0	-125.70	387.69	6.29	-119.41
CC1(C)CC2=C(SC([N-]C(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240282	1	46	-2.0	-137.56	378.99	3.54	-134.02
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCOC3)=N2)C(C)(C)O1	REAL300013240283	1	49	-2.0	-119.59	398.92	4.02	-115.57
CC1(C)CC2=C(SC([N-]C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=N2)C(C)(C)O1	REAL300013240284	1	49	-2.0	-134.18	389.61	8.13	-126.05
CC1(C)CC2=C(SC([N-]C(=O)N3CC4CC3(C(=O)[O-])CO4)=N2)C(C)(C)O1	REAL300013240285	1	47	-2.0	-129.98	381.12	5.77	-124.21
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)C1	REAL300013240286	1	51	-2.0	-137.67	399.72	8.95	-128.72
CN(C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C1(C(=O)[O-])CC1	REAL300013240287	1	45	-2.0	-125.98	373.78	6.83	-119.15
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCC3)=N2)C(C)(C)O1	REAL300013240288	1	48	-2.0	-124.39	386.35	5.92	-118.47
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCCCC3)=N2)C(C)(C)O1	REAL300013240289	1	54	-2.0	-126.82	420.43	7.17	-119.65
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCC3)=N2)C(C)(C)O1	REAL300013240290	1	48	-2.0	-124.39	386.35	5.92	-118.47
CC1CCN(C(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)C1C(=O)[O-]	REAL300013240291	1	48	-2.0	-132.34	387.35	7.56	-124.78
C=CCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240292	1	45	-2.0	-121.09	379.98	5.42	-115.67
COC1CC(NC(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)(C(=O)[O-])C1	REAL300013240293	1	49	-2.0	-125.65	399.14	4.47	-121.18
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC(F)(F)C3)=N2)C(C)(C)O1	REAL300013240294	1	45	-2.0	-122.58	375.77	5.64	-116.94
CO[C@H]1C[C@](NC(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)(C(=O)[O-])C1	REAL300013240295	1	49	-2.0	-130.26	397.60	5.27	-124.99
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240296	1	51	-2.0	-132.38	396.94	8.77	-123.61
CC1(C)CC2=C(SC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240297	1	44	-2.0	-115.52	381.76	5.69	-109.83
CC1(C)CC2=C(SC([N-]C(=O)NC(CC3CCOC3)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240298	1	52	-2.0	-120.80	421.54	5.02	-115.78
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])COC3)=N2)C(C)(C)O1	REAL300013240299	1	43	-2.0	-120.45	358.37	2.66	-117.79
CC(C)C(C)(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240300	1	50	-2.0	-125.72	385.72	5.91	-119.81
CC1(C)CC2=C(SC([N-]C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240301	1	46	-2.0	-135.88	374.25	8.15	-127.73
CC1(C)CC2=C(SC([N-]C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240302	1	49	-2.0	-134.90	389.20	7.53	-127.37
C=CCSCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240303	1	49	-2.0	-122.25	423.73	6.87	-115.38
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240304	1	50	-2.0	-124.55	395.81	8.63	-115.92
COC1(C(NC(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)C(=O)[O-])CCC1	REAL300013240305	1	52	-2.0	-123.39	413.87	4.62	-118.77
CC1(C)CC2=C(SC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C(C)(C)O1	REAL300013240306	0	48	-2.0	-128.40	399.67	7.42	-120.98
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C(C)(C)O1	REAL300013240306	1	47	-3.0	-208.03	396.29	6.21	-201.82
CC1(C)CC2=C(SC([N-]C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240307	1	45	-2.0	-124.90	373.61	7.06	-117.84
CC1(C)CC2=C(SC([N-]C(=O)N3C4C=CC(C4)C3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240308	1	47	-2.0	-125.51	381.34	7.82	-117.69
CC1(C)CCN(C(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)C1C(=O)[O-]	REAL300013240309	1	51	-2.0	-133.27	399.20	7.92	-125.35
CC(C)CCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240310	1	53	-2.0	-122.49	427.23	7.03	-115.46
CC1(C)CC2=C(SC([N-]C(=O)N3CC4(CCC4)CC3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240311	1	52	-2.0	-129.59	414.59	8.53	-121.06
CC1(C)CC2=C(SC([N-]C(=O)NC(CC3CCOC3)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240312	1	52	-2.0	-120.80	421.54	5.02	-115.78
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)C1	REAL300013240313	1	49	-2.0	-127.18	411.33	7.94	-119.24
C[C@H](O)[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240314	1	45	-2.0	-117.46	372.14	1.59	-115.87
CC1(C)CC2=C(SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240315	1	42	-2.0	-124.87	355.88	0.79	-124.08
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCCC4CC43)=N2)C(C)(C)O1	REAL300013240316	1	52	-2.0	-132.86	401.22	7.76	-125.10
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CCC4CC43)=N2)C(C)(C)O1	REAL300013240317	1	49	-2.0	-131.28	389.18	6.86	-124.42
CC1(C)CC2=C(SC([N-]C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)=N2)C(C)(C)O1	REAL300013240318	1	52	-2.0	-131.70	409.08	7.22	-124.48
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCCC3)=N2)C(C)(C)O1	REAL300013240319	1	51	-2.0	-125.68	402.89	6.49	-119.19
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240320	1	48	-2.0	-124.72	395.75	4.20	-120.52
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240321	1	48	-2.0	-130.57	386.01	6.46	-124.11
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)C1	REAL300013240322	1	51	-2.0	-129.03	407.27	7.82	-121.21
CC1(C)CC2=C(SC([N-]C(=O)N3CCC(F)(F)C3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240323	1	45	-2.0	-127.19	378.55	7.10	-120.09
CC1(C)CC2=C(SC([N-]C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=N2)C(C)(C)O1	REAL300013240324	1	52	-2.0	-131.90	404.16	8.69	-123.21
COCCCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240325	1	51	-2.0	-122.72	421.84	4.80	-117.92
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240326	1	50	-2.0	-114.38	400.71	8.02	-106.36
CCOCC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240327	1	48	-2.0	-124.79	399.89	4.17	-120.62
CC(C)(C)CC(NC(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240328	1	53	-2.0	-123.55	417.52	7.38	-116.17
CC1(C)CC2=C(SC([N-]C(=O)NC(C(=O)[O-])C3CCCCO3)=N2)C(C)(C)O1	REAL300013240329	1	52	-2.0	-128.44	417.16	5.10	-123.34
C[C@H]1OCCN(C(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)[C@@H]1C(=O)[O-]	REAL300013240330	1	49	-2.0	-132.70	390.59	6.60	-126.10
CC1(C)CC2=C(SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N2)C(C)(C)O1	REAL300013240331	1	45	-2.0	-114.97	387.51	5.47	-109.50
CC1(C)CC2=C(SC([N-]C(=O)N(CC(=O)[O-])CC3=CC=CO3)=N2)C(C)(C)O1	REAL300013240332	1	48	-2.0	-121.36	407.39	8.22	-113.14
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(S1)C(C)(C)OC(C)(C)C2	REAL300013240333	1	44	-2.0	-112.01	359.37	6.30	-105.71
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(S2)C(C)(C)OC(C)(C)C3)C1	REAL300013240334	1	52	-2.0	-133.14	420.47	6.87	-126.27
CC1=CC=C(OCC2=CC=CC=C2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013240523	0	49	-2.0	-132.33	410.74	10.12	-122.21
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC(C)=C3)S2)C(=O)[O-])C=C1	REAL300013240551	1	47	-2.0	-129.39	416.00	10.25	-119.14
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S2)=C1	REAL300013240552	1	40	-2.0	-114.90	374.65	8.11	-106.79
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCSCC3)S2)=C1	REAL300013240553	1	45	-2.0	-121.98	385.91	9.26	-112.72
COCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240554	1	44	-2.0	-126.51	381.08	7.03	-119.48
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240555	1	47	-2.0	-114.88	403.20	9.01	-105.87
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S2)=C1	REAL300013240556	1	46	-2.0	-119.04	394.90	10.80	-108.24
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CC3)S2)=C1	REAL300013240557	1	41	-2.0	-119.86	364.00	9.87	-109.99
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCOC3)S2)=C1	REAL300013240558	1	42	-2.0	-122.69	364.35	5.88	-116.81
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCCCC3)S2)=C1	REAL300013240559	1	50	-2.0	-125.77	411.76	9.69	-116.08
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=C(O)C=C3)S2)=C1	REAL300013240560	1	45	-2.0	-125.93	405.89	6.62	-119.31
C=CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240561	1	45	-2.0	-124.78	405.18	7.25	-117.53
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC(O)C3C(=O)[O-])S2)=C1	REAL300013240562	1	45	-2.0	-141.07	379.06	8.27	-132.80
C=CC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240563	1	44	-2.0	-120.60	390.23	8.56	-112.04
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCOCC3)S2)=C1	REAL300013240564	1	48	-2.0	-125.21	403.19	7.20	-118.01
COC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(C)=C3)S2)C(C(=O)[O-])C1	REAL300013240565	1	48	-2.0	-135.52	403.77	9.83	-125.69
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCCOC3)S2)=C1	REAL300013240566	1	48	-2.0	-121.18	402.59	7.30	-113.88
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)CC3C(=O)[O-])S2)=C1	REAL300013240567	1	47	-2.0	-136.81	392.22	11.44	-125.37
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S2)=C1	REAL300013240568	1	43	-2.0	-122.04	371.39	7.74	-114.30
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCCC3C(=O)[O-])S2)=C1	REAL300013240569	1	44	-2.0	-136.18	371.30	10.82	-125.36
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCSCC3C(=O)[O-])S2)=C1	REAL300013240570	1	42	-2.0	-128.48	371.38	10.86	-117.62
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCCC3)S2)=C1	REAL300013240571	1	47	-2.0	-128.88	388.21	9.58	-119.30
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC3C(=O)[O-])S2)=C1	REAL300013240572	1	41	-2.0	-129.45	359.31	9.42	-120.03
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCC3)S2)=C1	REAL300013240573	1	44	-2.0	-128.15	373.70	8.48	-119.67
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCCCC3)S2)=C1	REAL300013240574	1	50	-2.0	-129.37	393.88	10.24	-119.13
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])S2)=C1	REAL300013240575	1	47	-2.0	-123.14	417.08	10.42	-112.72
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)S2)=C1	REAL300013240576	1	47	-2.0	-121.03	417.72	12.52	-108.51
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(=O)[O-])S2)=C1	REAL300013240577	1	34	-2.0	-104.22	316.08	5.57	-98.65
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013240578	1	44	-2.0	-129.06	394.64	9.56	-119.50
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013240579	1	44	-2.0	-129.04	394.63	9.56	-119.48
CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240580	1	40	-2.0	-120.40	358.46	7.47	-112.93
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S2)=C1	REAL300013240581	1	43	-2.0	-122.04	371.39	7.74	-114.30
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)CC(=O)[O-])S2)=C1	REAL300013240582	1	37	-2.0	-117.19	336.94	8.54	-108.65
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CO)C(=O)[O-])S2)=C1	REAL300013240583	1	38	-2.0	-124.07	348.17	3.29	-120.78
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CO)C(=O)[O-])S2)=C1	REAL300013240584	1	38	-2.0	-124.07	348.17	3.29	-120.78
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])S2)=C1	REAL300013240585	1	47	-2.0	-123.14	417.08	10.42	-112.72
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)C(=O)[O-])S2)=C1	REAL300013240586	1	37	-2.0	-105.55	337.18	6.35	-99.20
CCC(C)C(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240587	1	46	-2.0	-123.13	388.63	8.44	-114.69
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)CC(=O)[O-])S2)=C1	REAL300013240588	1	37	-2.0	-117.19	336.94	8.54	-108.65
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCCC3C(=O)[O-])S2)=C1	REAL300013240589	1	44	-2.0	-136.18	371.30	10.82	-125.36
CCCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240590	1	46	-2.0	-124.43	384.34	8.49	-115.94
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S2)=C1	REAL300013240591	1	43	-2.0	-119.34	368.97	9.86	-109.48
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CC3)S2)=C1	REAL300013240592	1	41	-2.0	-119.86	364.00	9.87	-109.99
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240593	1	41	-2.0	-118.08	371.55	10.08	-108.00
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S2)=C1	REAL300013240594	1	46	-2.0	-119.04	394.90	10.80	-108.24
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(C)C(=O)[O-])S2)=C1	REAL300013240595	1	40	-2.0	-102.11	349.44	6.80	-95.31
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C3CC3)S2)=C1	REAL300013240596	1	44	-2.0	-126.24	372.94	8.44	-117.80
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CS3)S2)=C1	REAL300013240597	1	41	-2.0	-125.87	386.50	8.56	-117.31
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCCC3)S2)=C1	REAL300013240598	1	47	-2.0	-128.88	388.21	9.58	-119.30
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S2)=C1	REAL300013240599	1	43	-2.0	-119.34	368.97	9.86	-109.48
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240600	1	43	-2.0	-117.86	380.24	10.28	-107.58
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240601	1	40	-2.0	-118.31	358.74	9.52	-108.79
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S2)=C1	REAL300013240602	1	38	-2.0	-124.03	348.31	3.24	-120.79
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240603	1	46	-2.0	-123.29	389.94	8.38	-114.91
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)C(=O)[O-])S2)=C1	REAL300013240604	1	37	-2.0	-105.55	337.18	6.35	-99.20
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCC3)S2)=C1	REAL300013240605	1	44	-2.0	-128.15	373.70	8.48	-119.67
CCC(C)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240606	1	43	-2.0	-123.50	362.84	7.74	-115.76
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013240607	1	47	-2.0	-130.85	402.95	10.24	-120.61
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](C)C(=O)[O-])S2)=C1	REAL300013240608	1	37	-2.0	-105.38	336.87	6.40	-98.98
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240609	1	40	-2.0	-118.31	358.74	9.52	-108.79
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])S2)=C1	REAL300013240610	1	42	-2.0	-130.60	370.57	6.03	-124.57
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C)C(=O)[O-])S2)=C1	REAL300013240611	1	37	-2.0	-105.37	336.87	6.40	-98.97
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC3)S2)=C1	REAL300013240612	1	38	-2.0	-127.87	343.02	7.55	-120.32
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCOCC3C(=O)[O-])S2)=C1	REAL300013240613	1	42	-2.0	-129.71	362.42	8.43	-121.28
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C3(C(=O)[O-])CCCCC3)S2)=C1	REAL300013240614	1	50	-2.0	-128.18	399.62	11.30	-116.88
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CC3)S2)=C1	REAL300013240615	1	41	-2.0	-123.47	365.09	7.91	-115.56
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C(C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013240616	1	47	-2.0	-122.14	404.40	11.47	-110.67
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240617	1	44	-2.0	-118.74	390.12	8.69	-110.05
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@@H]3C(=O)[O-])S2)=C1	REAL300013240618	1	41	-2.0	-130.49	361.39	9.05	-121.44
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC[C@@H]3C(=O)[O-])S2)=C1	REAL300013240619	1	44	-2.0	-136.18	371.35	10.83	-125.35
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])S2)=C1	REAL300013240620	1	42	-2.0	-128.61	371.29	5.76	-122.85
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S2)=C1	REAL300013240621	1	40	-2.0	-111.27	351.33	8.65	-102.62
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@H]3C(=O)[O-])S2)=C1	REAL300013240622	1	41	-2.0	-129.50	359.28	9.43	-120.07
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCC3)S2)=C1	REAL300013240623	1	41	-2.0	-128.23	359.86	8.07	-120.16
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240624	1	41	-2.0	-120.55	371.98	7.87	-112.68
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC3(C)C(=O)[O-])S2)=C1	REAL300013240625	1	44	-2.0	-128.88	376.45	9.98	-118.90
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCCCC3C(=O)[O-])S2)=C1	REAL300013240626	1	47	-2.0	-134.72	386.32	11.48	-123.24
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CC3)S2)=C1	REAL300013240627	1	41	-2.0	-123.47	365.09	7.91	-115.56
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C(C)C(=O)[O-])S2)=C1	REAL300013240628	1	40	-2.0	-111.29	351.84	8.76	-102.53
CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240629	1	46	-2.0	-121.29	401.70	8.96	-112.33
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CC(O)=C3)S2)=C1	REAL300013240630	1	45	-2.0	-128.13	405.66	6.70	-121.43
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@@]3(C)C(=O)[O-])S2)=C1	REAL300013240631	1	44	-2.0	-128.97	376.37	9.97	-119.00
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C3(C(=O)[O-])CCCCC3)S2)=C1	REAL300013240632	1	50	-2.0	-128.18	399.62	11.30	-116.88
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CCCC3)S2)=C1	REAL300013240633	1	47	-2.0	-118.44	395.08	11.09	-107.35
COCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240634	1	41	-2.0	-123.07	370.56	5.65	-117.42
CCCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240635	1	49	-2.0	-121.21	422.96	9.80	-111.41
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S2)=C1	REAL300013240636	1	46	-2.0	-123.78	389.49	8.52	-115.26
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CCOCC3)S2)=C1	REAL300013240637	1	48	-2.0	-118.60	403.52	9.42	-109.18
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C3(C(=O)[O-])CCCC3)S2)=C1	REAL300013240638	1	47	-2.0	-132.68	387.61	10.66	-122.02
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C(C)C(=O)[O-])C3CC3)S2)=C1	REAL300013240639	1	44	-2.0	-113.31	369.77	9.73	-103.58
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C1CC1	REAL300013240640	1	47	-2.0	-116.11	393.53	11.43	-104.68
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3F)S2)=C1	REAL300013240641	1	44	-2.0	-133.79	399.27	9.58	-124.21
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240642	1	43	-2.0	-117.86	380.24	10.28	-107.58
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C1CC1	REAL300013240643	1	48	-2.0	-113.87	406.54	10.90	-102.97
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C(C)C(=O)[O-])C3CCC3)S2)=C1	REAL300013240644	1	47	-2.0	-110.73	392.75	10.66	-100.07
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(COC)C(=O)[O-]	REAL300013240645	1	50	-2.0	-117.81	418.26	9.81	-108.00
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(CC)C(=O)[O-]	REAL300013240646	1	49	-2.0	-113.47	406.98	11.33	-102.14
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(=O)[O-])S2)=C1	REAL300013240647	1	34	-2.0	-104.22	316.08	5.57	-98.65
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S2)=C1	REAL300013240648	1	46	-2.0	-122.45	397.40	8.71	-113.74
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCOCC3)S2)=C1	REAL300013240649	1	45	-2.0	-124.14	379.64	7.09	-117.05
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240650	1	44	-2.0	-120.86	392.77	8.80	-112.06
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CF)C(=O)[O-])S2)=C1	REAL300013240651	1	37	-2.0	-105.01	340.80	6.39	-98.62
CCC(CC)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240652	1	46	-2.0	-125.56	379.51	8.63	-116.93
CCC(COC)(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240653	1	47	-2.0	-128.57	397.75	7.93	-120.64
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3CC3)C(=O)[O-])S2)=C1	REAL300013240654	1	44	-2.0	-121.88	389.48	8.98	-112.90
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240655	1	44	-2.0	-118.82	392.13	6.53	-112.29
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S2)=C1	REAL300013240656	1	40	-2.0	-115.24	370.81	7.76	-107.48
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CCF)C(=O)[O-])S2)=C1	REAL300013240657	1	40	-2.0	-115.38	365.05	7.61	-107.77
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CCOCC3)S2)=C1	REAL300013240658	1	48	-2.0	-118.60	403.52	9.42	-109.18
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CCCCC3)S2)=C1	REAL300013240659	1	50	-2.0	-120.02	412.47	11.80	-108.22
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@]3(C(=O)[O-])CC[C@H](C)CC3)S2)=C1	REAL300013240660	1	50	-2.0	-129.67	402.01	9.96	-119.71
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S2)=C1	REAL300013240661	1	43	-2.0	-118.20	369.43	7.88	-110.32
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])S2)=C1	REAL300013240662	1	45	-2.0	-124.70	394.45	10.42	-114.28
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S2)=C1	REAL300013240663	1	40	-2.0	-111.88	350.77	8.71	-103.17
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC4CC3(C(=O)[O-])C4)S2)=C1	REAL300013240664	1	42	-2.0	-134.19	365.65	10.01	-124.18
COC1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC(C)=C3)S2)C(C)(C(=O)[O-])C1	REAL300013240665	1	48	-2.0	-128.22	409.62	8.94	-119.28
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S2)=C1	REAL300013240666	1	46	-2.0	-123.78	389.49	8.52	-115.26
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240667	1	41	-2.0	-118.42	387.19	8.54	-109.88
C=C(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240668	1	44	-2.0	-120.51	391.62	8.78	-111.73
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C4CCC3(C(=O)[O-])CC4)S2)=C1	REAL300013240669	1	45	-2.0	-133.85	379.19	10.75	-123.10
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])S2)=C1	REAL300013240670	1	42	-2.0	-128.78	371.34	5.75	-123.03
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])S2)=C1	REAL300013240671	1	41	-2.0	-118.82	372.26	9.59	-109.23
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])S2)=C1	REAL300013240672	1	41	-2.0	-123.87	365.77	9.52	-114.35
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC(C)=C3)S2)C1	REAL300013240673	1	42	-2.0	-130.57	372.52	9.87	-120.70
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S2)=C1	REAL300013240674	1	46	-2.0	-122.45	397.40	8.71	-113.74
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCOCC3)S2)=C1	REAL300013240675	1	48	-2.0	-125.21	403.19	7.20	-118.01
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013240676	1	44	-2.0	-129.04	394.63	9.56	-119.48
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3CC3)C(=O)[O-])S2)=C1	REAL300013240677	1	44	-2.0	-121.88	389.48	8.98	-112.90
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])S2)=C1	REAL300013240678	1	52	-2.0	-121.84	440.77	10.26	-111.58
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3CCCO3)C(=O)[O-])S2)=C1	REAL300013240679	1	48	-2.0	-128.78	414.89	7.81	-120.97
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)S2)=C1	REAL300013240680	1	41	-2.0	-119.94	365.45	4.52	-115.42
CSCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240681	1	41	-2.0	-121.02	382.16	7.83	-113.19
COC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240682	1	41	-2.0	-123.16	370.07	5.64	-117.52
CC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240683	1	40	-2.0	-120.35	357.87	7.43	-112.92
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240684	1	49	-2.0	-122.47	415.39	9.43	-113.04
C=CCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240685	1	47	-2.0	-121.03	414.27	9.58	-111.45
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCSCC3C(=O)[O-])S2)=C1	REAL300013240686	1	42	-2.0	-128.48	371.38	10.86	-117.62
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013240687	1	47	-2.0	-130.85	402.95	10.24	-120.61
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@@H]3C(=O)[O-])S2)=C1	REAL300013240688	1	41	-2.0	-130.49	361.39	9.05	-121.44
CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240689	1	43	-2.0	-121.12	380.20	8.18	-112.94
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)S2)=C1	REAL300013240690	1	43	-2.0	-121.75	370.14	7.82	-113.93
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])S2)=C1	REAL300013240691	1	45	-2.0	-136.91	382.01	11.09	-125.82
CCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(C)(C)C(=O)[O-]	REAL300013240692	1	46	-2.0	-126.40	384.47	10.44	-115.96
CCCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(C)C(=O)[O-]	REAL300013240693	1	46	-2.0	-112.57	389.47	10.28	-102.29
CCC[C@@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240694	1	43	-2.0	-121.13	380.20	8.17	-112.96
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])S2)=C1	REAL300013240695	1	45	-2.0	-130.05	383.40	10.45	-119.60
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013240696	1	44	-2.0	-129.06	394.64	9.56	-119.50
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C(C)(C)C(=O)[O-])S2)=C1	REAL300013240697	1	43	-2.0	-125.17	365.98	9.57	-115.60
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@H]3C(=O)[O-])S2)=C1	REAL300013240698	1	41	-2.0	-129.50	359.28	9.43	-120.07
CCC(C)CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240701	1	49	-2.0	-122.47	415.39	9.43	-113.04
C#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240702	1	39	-2.0	-120.35	364.97	7.83	-112.52
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C(C)C(=O)[O-])S2)=C1	REAL300013240703	1	40	-2.0	-111.29	351.84	8.76	-102.53
CC(C)=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240704	1	47	-2.0	-122.68	411.14	9.38	-113.30
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3=CC=NC=C3)C(=O)[O-])S2)=C1	REAL300013240705	1	46	-2.0	-120.02	412.25	8.65	-111.37
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])S2)=C1	REAL300013240706	1	50	-2.0	-115.70	423.47	9.76	-105.94
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])S2)=C1	REAL300013240707	1	49	-2.0	-113.45	409.64	11.08	-102.37
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CC=N3)S2)=C1	REAL300013240708	1	43	-2.0	-131.75	391.00	7.97	-123.78
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240709	1	50	-2.0	-131.83	413.85	11.89	-119.94
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3=CC=NC=C3)C(=O)[O-])S2)=C1	REAL300013240711	1	46	-2.0	-120.02	412.25	8.65	-111.37
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3=CC=CN=C3)S2)=C1	REAL300013240712	1	43	-2.0	-125.04	389.52	7.76	-117.28
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240713	1	48	-2.0	-129.65	404.86	10.20	-119.45
C=CCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240714	1	44	-2.0	-120.86	392.77	8.80	-112.06
CC#CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240715	1	42	-2.0	-122.37	386.80	8.78	-113.59
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(=O)N(C)CC3C(=O)[O-])S2)=C1	REAL300013240716	1	45	-2.0	-124.33	387.80	8.79	-115.54
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@]3(C)C(=O)[O-])S2)=C1	REAL300013240717	1	44	-2.0	-128.92	376.38	9.97	-118.95
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)S2)=C1	REAL300013240718	1	43	-2.0	-122.17	375.74	7.98	-114.19
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)S2)=C1	REAL300013240719	1	44	-2.0	-128.86	394.23	9.52	-119.34
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])S2)=C1	REAL300013240720	1	47	-2.0	-128.98	408.65	8.82	-120.16
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S2)=C1	REAL300013240721	1	40	-2.0	-111.88	350.77	8.71	-103.17
CCC[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240722	1	43	-2.0	-120.93	379.37	8.20	-112.73
CCN(C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(C)C(=O)[O-]	REAL300013240723	1	43	-2.0	-112.44	368.01	9.45	-102.99
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])C3CCCC3)S2)=C1	REAL300013240724	1	47	-2.0	-118.44	395.08	11.09	-107.35
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240725	1	46	-2.0	-123.29	389.94	8.38	-114.91
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240726	1	43	-2.0	-112.73	371.20	9.85	-102.88
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC(CO)C3)S2)=C1	REAL300013240727	1	45	-2.0	-130.80	392.10	5.35	-125.45
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCC(C)C3)S2)=C1	REAL300013240728	1	47	-2.0	-129.57	393.74	9.08	-120.49
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCC3(C)C)S2)=C1	REAL300013240729	1	50	-2.0	-131.84	402.57	9.71	-122.13
COCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240730	1	44	-2.0	-118.82	392.13	6.53	-112.29
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC(C)(C)C3)S2)=C1	REAL300013240731	1	47	-2.0	-130.20	396.25	9.77	-120.43
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3(C)CC3)S2)=C1	REAL300013240732	1	44	-2.0	-124.49	387.49	8.49	-116.00
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])S2)=C1	REAL300013240733	1	42	-2.0	-136.96	371.34	5.93	-131.03
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCOC3)S2)=C1	REAL300013240734	1	45	-2.0	-118.14	388.79	6.44	-111.70
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])S2)=C1	REAL300013240735	1	45	-2.0	-133.33	381.36	10.55	-122.78
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC4CC3(C(=O)[O-])CO4)S2)=C1	REAL300013240736	1	43	-2.0	-129.18	373.14	8.21	-120.97
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(C)CCC3C(=O)[O-])S2)=C1	REAL300013240737	1	47	-2.0	-136.79	392.15	11.40	-125.39
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)C3(C(=O)[O-])CC3)S2)=C1	REAL300013240738	1	41	-2.0	-125.13	366.33	9.28	-115.85
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3CC=CCC3)C(=O)[O-])S2)=C1	REAL300013240739	1	51	-2.0	-124.28	431.29	10.62	-113.66
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCC3)S2)=C1	REAL300013240740	1	44	-2.0	-123.37	383.57	8.46	-114.91
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCCCC3)S2)=C1	REAL300013240741	1	50	-2.0	-125.77	411.76	9.69	-116.08
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCC3)S2)=C1	REAL300013240742	1	44	-2.0	-123.37	383.57	8.46	-114.91
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)C3C(=O)[O-])S2)=C1	REAL300013240743	1	44	-2.0	-130.40	373.05	9.97	-120.43
C=CCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240744	1	41	-2.0	-120.55	371.98	7.87	-112.68
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)S2)=C1	REAL300013240745	1	51	-2.0	-127.86	407.51	11.23	-116.63
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3CC=CCC3)C(=O)[O-])S2)=C1	REAL300013240746	1	51	-2.0	-124.28	431.29	10.62	-113.66
COC1CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC(C)=C3)S2)(C(=O)[O-])C1	REAL300013240747	1	45	-2.0	-124.91	391.41	6.94	-117.97
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC(F)(F)C3)S2)=C1	REAL300013240748	1	41	-2.0	-121.58	368.25	8.10	-113.48
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(CC3=CC=CC(C)=C3)S2)(C(=O)[O-])C1	REAL300013240749	1	45	-2.0	-130.83	391.77	7.33	-123.50
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240750	1	47	-2.0	-131.29	389.67	11.19	-120.10
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S2)=C1	REAL300013240751	1	40	-2.0	-114.90	374.65	8.11	-106.79
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3CCOC3)C(=O)[O-])S2)=C1	REAL300013240752	1	48	-2.0	-121.96	412.26	7.49	-114.47
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])COC3)S2)=C1	REAL300013240753	1	39	-2.0	-119.45	350.65	5.10	-114.35
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)S2)=C1	REAL300013240754	1	46	-2.0	-125.05	379.56	8.41	-116.64
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])S2)=C1	REAL300013240755	1	42	-2.0	-135.01	366.61	10.60	-124.41
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])S2)=C1	REAL300013240756	1	45	-2.0	-133.76	382.41	10.04	-123.72
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CC4CCC3C4)S2)=C1	REAL300013240757	1	51	-2.0	-126.99	420.50	10.27	-116.72
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC4(CCCC4)CC3C(=O)[O-])S2)=C1	REAL300013240758	1	51	-2.0	-128.66	421.49	11.46	-117.20
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])S2)=C1	REAL300013240759	1	51	-2.0	-134.52	418.13	11.15	-123.37
C=CCSCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240760	1	45	-2.0	-121.69	416.43	9.28	-112.41
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240761	1	46	-2.0	-113.23	385.53	10.52	-102.71
COC1(C(NC(=O)[N-]C2=NC=C(CC3=CC=CC(C)=C3)S2)C(=O)[O-])CCC1	REAL300013240762	1	48	-2.0	-122.57	406.30	7.08	-115.49
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC(C(F)F)C3)S2)=C1	REAL300013240763	1	44	-2.0	-124.16	389.93	8.79	-115.37
CC1=CC=CC(CC2=CN=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)S2)=C1	REAL300013240764	0	44	-2.0	-128.53	391.95	9.86	-118.67
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)S2)=C1	REAL300013240764	1	43	-3.0	-202.75	387.33	8.54	-194.21
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])S2)=C1	REAL300013240765	1	41	-2.0	-123.87	365.77	9.52	-114.35
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C4C=CC(C4)C3C(=O)[O-])S2)=C1	REAL300013240766	1	43	-2.0	-125.33	375.13	10.26	-115.07
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)(C)C3C(=O)[O-])S2)=C1	REAL300013240767	1	47	-2.0	-133.16	393.27	10.20	-122.96
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC4(CCC4)CCC3C(=O)[O-])S2)=C1	REAL300013240768	1	51	-2.0	-138.60	415.53	12.44	-126.16
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CCC(C)C)C(=O)[O-])S2)=C1	REAL300013240769	1	49	-2.0	-121.55	419.02	9.53	-112.02
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC4(CCC4)CC3C(=O)[O-])S2)=C1	REAL300013240770	1	48	-2.0	-130.25	408.95	10.96	-119.29
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC3CCOC3)C(=O)[O-])S2)=C1	REAL300013240771	1	48	-2.0	-121.96	412.26	7.49	-114.47
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC(C)=C3)S2)C1	REAL300013240772	1	45	-2.0	-125.81	402.58	10.60	-115.21
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)S2)=C1	REAL300013240773	1	41	-2.0	-116.15	362.65	3.93	-112.22
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S2)=C1	REAL300013240774	1	38	-2.0	-124.03	348.31	3.24	-120.79
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCCC4CC43)S2)=C1	REAL300013240775	1	48	-2.0	-131.93	394.04	10.22	-121.71
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CCC4CC43)S2)=C1	REAL300013240776	1	45	-2.0	-129.52	382.33	9.08	-120.44
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(C(=O)[O-])CC4(CCC4)C3)S2)=C1	REAL300013240777	1	48	-2.0	-130.21	402.45	9.68	-120.53
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCCC3)S2)=C1	REAL300013240778	1	47	-2.0	-124.89	394.90	8.93	-115.96
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240779	1	44	-2.0	-123.76	388.21	6.66	-117.10
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)S2)=C1	REAL300013240780	1	44	-2.0	-128.64	372.83	8.60	-120.04
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])CC3=CC=CC=C3)S2)=C1	REAL300013240781	1	47	-2.0	-121.03	417.72	12.52	-108.51
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(C)(C)CC3C(=O)[O-])S2)=C1	REAL300013240782	1	47	-2.0	-127.99	399.55	10.27	-117.72
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(F)(F)CC3C(=O)[O-])S2)=C1	REAL300013240783	1	44	-2.0	-126.85	382.63	11.02	-115.83
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(F)(F)C3C(=O)[O-])S2)=C1	REAL300013240784	1	41	-2.0	-126.37	370.98	9.56	-116.81
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(F)(F)CC3(C)C(=O)[O-])S2)=C1	REAL300013240785	1	44	-2.0	-118.07	388.48	10.09	-107.98
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])S2)=C1	REAL300013240786	1	48	-2.0	-134.84	397.59	10.81	-124.03
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H](C(=O)[O-])C3=CC=C(O)C=C3)S2)=C1	REAL300013240787	1	45	-2.0	-125.97	405.89	6.61	-119.36
COCCCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240788	1	47	-2.0	-122.00	413.87	7.25	-114.75
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013240789	1	46	-2.0	-113.18	393.79	10.62	-102.56
CCOCC(NC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013240790	1	44	-2.0	-123.93	392.41	6.63	-117.30
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S2)=C1	REAL300013240791	1	49	-2.0	-122.93	409.52	9.81	-113.12
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C(=O)[O-])C3CCCCO3)S2)=C1	REAL300013240792	1	48	-2.0	-127.83	409.19	7.56	-120.27
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])S2)=C1	REAL300013240793	1	45	-2.0	-131.81	382.45	9.01	-122.80
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(CCC#N)C(=O)[O-])S2)=C1	REAL300013240794	1	41	-2.0	-114.41	379.31	7.97	-106.44
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(CC(=O)[O-])CC3=CC=CO3)S2)=C1	REAL300013240795	1	44	-2.0	-120.67	399.41	10.66	-110.01
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S2)=C1	REAL300013240796	1	40	-2.0	-111.27	351.33	8.65	-102.62
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(CC3=CC=CC(C)=C3)S2)C1	REAL300013240797	1	48	-2.0	-125.29	413.64	9.44	-115.85
O=C([O-])C1CC(NC(=O)NC2=CC(Cl)=C3OCCOC3=C2)(C(=O)[O-])C1	REAL300013241064	0	38	-2.0	-118.00	340.10	5.50	-112.50
O=C([O-])C1CC(NC(=O)NC2=CN(C3CC3(F)F)N=C2)(C(=O)[O-])C1	REAL300013241382	0	36	-2.0	-117.61	321.64	5.18	-112.43
CC(C)NC(=O)CN1C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013241699	0	45	-2.0	-135.31	382.64	3.82	-131.49
O=C([O-])C1CC(NC(=O)NC2=CN(CCN3CCCC3=O)N=C2)(C(=O)[O-])C1	REAL300013241989	0	46	-2.0	-124.87	389.17	5.51	-119.36
O=C([O-])C1CC(NC(=O)NC2=C3C=COC3=CC=N2)(C(=O)[O-])C1	REAL300013242236	0	34	-2.0	-129.15	304.06	6.05	-123.10
O=C([O-])C1CC(NC(=O)NC2=CC=C(Br)C3=C2CCO3)(C(=O)[O-])C1	REAL300013242470	0	37	-2.0	-119.45	336.93	6.39	-113.06
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013242729	0	45	-2.0	-121.05	384.63	7.10	-113.95
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3CC3(F)F)=C2)(C(=O)[O-])C1	REAL300013243043	0	39	-2.0	-125.77	341.07	8.13	-117.64
O=C([O-])C1CC(NC(=O)NC2=CC(Cl)=C3OCOC3=C2)(C(=O)[O-])C1	REAL300013243373	0	35	-2.0	-120.96	323.82	5.11	-115.85
O=C([O-])C1CC(NC(=O)NC2=CC=C(OCC3=CN=CC=N3)C=C2)(C(=O)[O-])C1	REAL300013243645	0	44	-2.0	-120.85	378.42	5.51	-115.34
O=C([O-])C1CC(NC(=O)NC2=CC=C3OCC(=O)NC3=N2)(C(=O)[O-])C1	REAL300013243958	0	37	-2.0	-127.40	326.44	3.64	-123.76
O=C([O-])C1CC(NC(=O)NC2=CN(CCN3CCOC3=O)N=C2)(C(=O)[O-])C1	REAL300013244243	0	44	-2.0	-133.02	379.38	4.59	-128.43
O=C([O-])C1CC(NC(=O)NC2=CC=NN2C2CCCC2)(C(=O)[O-])C1	REAL300013244532	0	42	-2.0	-120.29	346.03	7.57	-112.72
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013244813	0	45	-2.0	-118.09	381.77	7.81	-110.28
O=C([O-])C1CC(NC(=O)NC2=CC(Cl)=C3OCCCOC3=C2)(C(=O)[O-])C1	REAL300013245080	0	41	-2.0	-115.72	358.52	6.29	-109.43
COCC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Cl	REAL300013245399	0	39	-2.0	-124.99	349.22	6.31	-118.68
C=CCN1C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013245627	0	36	-2.0	-121.36	315.90	4.99	-116.37
CC1=CC(OCC2=CC=CC=N2)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013245855	0	48	-2.0	-121.10	401.17	8.24	-112.86
COCC(C)(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245883	1	35	-2.0	-114.85	327.17	4.23	-110.62
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245884	1	38	-2.0	-104.51	349.46	6.41	-98.10
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245885	1	37	-2.0	-110.03	340.74	7.83	-102.20
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CC1	REAL300013245886	1	32	-2.0	-108.50	305.95	7.01	-101.49
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)CCOC1	REAL300013245887	1	33	-2.0	-111.11	310.43	3.09	-108.02
C=CCOCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245888	1	36	-2.0	-112.97	350.91	4.45	-108.52
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245889	1	36	-2.0	-126.75	328.17	4.74	-122.01
C=CC(C)C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245890	1	35	-2.0	-108.74	334.80	5.83	-102.91
CC1CCN(C(=O)[N-]C2=NC(C3CC3)=C(Br)S2)C(C(=O)[O-])C1	REAL300013245891	1	38	-2.0	-122.90	338.32	8.62	-114.28
CC(C)C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245892	1	34	-2.0	-110.64	321.82	5.24	-105.40
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245893	1	35	-2.0	-122.35	317.44	8.01	-114.34
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245894	1	33	-2.0	-114.99	317.46	8.04	-106.95
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)CCCCC1	REAL300013245895	1	38	-2.0	-116.58	334.30	6.79	-109.79
O=C([O-])C1CCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245896	1	32	-2.0	-117.35	305.37	6.64	-110.71
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)CCCC1	REAL300013245897	1	35	-2.0	-116.08	319.79	5.67	-110.41
O=C([O-])CNC(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245898	1	25	-2.0	-94.67	262.17	2.82	-91.85
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1=CC=CC=C1	REAL300013245899	1	35	-2.0	-116.93	340.97	6.73	-110.20
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1=CC=CC=C1	REAL300013245900	1	35	-2.0	-116.93	340.70	6.82	-110.11
CCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245901	1	31	-2.0	-109.12	303.95	4.68	-104.44
CC(C)C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245902	1	34	-2.0	-110.64	321.82	5.24	-105.40
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245903	1	28	-2.0	-106.43	283.02	5.79	-100.64
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245904	1	29	-2.0	-112.93	294.39	0.50	-112.43
O=C([O-])C(CO)NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245905	1	29	-2.0	-112.93	294.39	0.50	-112.43
CC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245906	1	28	-2.0	-95.84	282.79	3.67	-92.17
CCC(C)C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245907	1	37	-2.0	-111.48	334.72	5.69	-105.79
CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245908	1	28	-2.0	-106.43	283.02	5.79	-100.64
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245909	1	35	-2.0	-122.35	317.44	8.01	-114.34
CCCC(C)(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245910	1	37	-2.0	-112.75	330.42	5.70	-107.05
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245911	1	34	-2.0	-108.23	315.05	7.11	-101.12
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CC1	REAL300013245912	1	32	-2.0	-108.50	305.95	7.01	-101.49
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245913	1	32	-2.0	-110.07	317.64	7.34	-102.73
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245914	1	37	-2.0	-110.03	340.74	7.83	-102.20
CC(C)(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245915	1	31	-2.0	-93.71	295.53	4.04	-89.67
CC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)(C(=O)[O-])C1CC1	REAL300013245916	1	35	-2.0	-114.73	321.64	5.77	-108.96
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)CCCCC1	REAL300013245917	1	38	-2.0	-116.58	334.30	6.79	-109.79
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245918	1	34	-2.0	-108.23	315.05	7.11	-101.12
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245919	1	34	-2.0	-110.00	326.33	7.53	-102.47
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245920	1	31	-2.0	-107.39	304.83	6.77	-100.62
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245921	1	29	-2.0	-112.93	293.91	0.50	-112.43
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245922	1	37	-2.0	-111.22	334.37	5.62	-105.60
CC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245923	1	28	-2.0	-95.84	282.79	3.67	-92.17
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)CCCC1	REAL300013245924	1	35	-2.0	-116.08	319.79	5.67	-110.41
CCC(C)(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245925	1	34	-2.0	-111.89	308.92	4.95	-106.94
C[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245926	1	28	-2.0	-95.93	282.96	3.65	-92.28
CCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245927	1	31	-2.0	-107.39	304.83	6.77	-100.62
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245928	1	33	-2.0	-119.20	317.47	3.00	-116.20
C[C@@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245929	1	28	-2.0	-95.96	282.95	3.65	-92.31
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)CC1	REAL300013245930	1	29	-2.0	-115.36	289.11	4.75	-110.61
O=C([O-])C1COCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245931	1	33	-2.0	-116.17	308.55	5.63	-110.54
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CC1	REAL300013245932	1	32	-2.0	-111.43	314.51	5.21	-106.22
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245933	1	35	-2.0	-111.23	336.21	5.95	-105.28
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245934	1	32	-2.0	-117.68	306.15	6.39	-111.29
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245935	1	35	-2.0	-122.29	317.47	8.02	-114.27
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245936	1	33	-2.0	-116.39	316.64	3.24	-113.15
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245937	1	31	-2.0	-101.16	297.92	6.01	-95.15
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245938	1	32	-2.0	-117.81	306.21	6.39	-111.42
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)CCC1	REAL300013245939	1	32	-2.0	-115.98	306.02	5.26	-110.72
C=CCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245940	1	32	-2.0	-108.95	318.10	5.12	-103.83
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245941	1	35	-2.0	-117.25	322.54	7.19	-110.06
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245942	1	38	-2.0	-121.74	332.26	8.83	-112.91
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CC1	REAL300013245943	1	32	-2.0	-111.43	314.51	5.21	-106.22
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245944	1	31	-2.0	-101.63	296.85	5.96	-95.67
CCCCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245945	1	37	-2.0	-109.80	347.78	6.22	-103.58
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245946	1	35	-2.0	-117.20	322.45	7.19	-110.01
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CCCC1	REAL300013245947	1	38	-2.0	-111.21	341.16	8.34	-102.87
COCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245948	1	32	-2.0	-112.10	316.15	2.90	-109.20
CCCCCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245949	1	40	-2.0	-109.63	368.45	7.01	-102.62
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245950	1	37	-2.0	-111.34	333.97	5.79	-105.55
CN(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1(C(=O)[O-])CCCC1	REAL300013245951	1	38	-2.0	-118.05	332.36	7.57	-110.48
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CC1	REAL300013245952	1	35	-2.0	-102.78	315.86	6.99	-95.79
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CC1	REAL300013245953	1	38	-2.0	-105.42	339.36	8.50	-96.92
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245954	1	34	-2.0	-110.00	326.33	7.53	-102.47
CC(C(=O)[O-])N(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CCC1	REAL300013245955	1	38	-2.0	-103.42	338.64	7.84	-95.58
CCCN(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(CC)C(=O)[O-]	REAL300013245956	1	40	-2.0	-105.40	353.69	8.51	-96.89
O=C([O-])CNC(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245957	1	25	-2.0	-94.67	262.17	2.82	-91.85
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245958	1	37	-2.0	-110.75	342.65	5.99	-104.76
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)CCOCC1	REAL300013245959	1	36	-2.0	-112.53	325.73	4.28	-108.25
C=CCCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245960	1	35	-2.0	-109.53	338.26	6.01	-103.52
O=C([O-])C(CF)NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245961	1	28	-2.0	-95.25	286.57	3.66	-91.59
CCC(CC)(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245962	1	37	-2.0	-113.75	325.30	5.84	-107.91
CCC(COC)(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245963	1	38	-2.0	-116.61	343.61	5.15	-111.46
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245964	1	35	-2.0	-110.41	335.56	6.24	-104.17
COCCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245965	1	35	-2.0	-107.80	337.63	3.75	-104.05
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245966	1	31	-2.0	-105.17	315.40	5.19	-99.98
O=C([O-])C(CCF)NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245967	1	31	-2.0	-104.83	311.38	4.81	-100.02
CC(CCF)(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245968	1	34	-2.0	-107.05	315.51	5.09	-101.96
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245969	1	31	-2.0	-101.14	297.93	6.01	-95.13
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245970	1	33	-2.0	-121.11	311.71	7.16	-113.95
CC(C)(C)[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245971	1	37	-2.0	-111.34	333.97	5.79	-105.55
C=C(Cl)CC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245972	1	32	-2.0	-107.05	333.22	5.75	-101.30
C=C(C)CC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245973	1	35	-2.0	-109.27	338.64	5.86	-103.41
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245974	1	36	-2.0	-120.86	325.28	7.93	-112.93
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245975	1	33	-2.0	-117.02	318.79	2.89	-114.13
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245976	1	32	-2.0	-107.19	318.34	6.79	-100.40
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245977	1	32	-2.0	-112.19	311.88	6.73	-105.46
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC3)=C(Br)S2)C1	REAL300013245978	1	33	-2.0	-118.19	318.61	7.09	-111.10
CC(C)C[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245979	1	37	-2.0	-110.75	342.65	5.99	-104.76
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1=CC=CC=C1	REAL300013245980	1	35	-2.0	-116.93	340.70	6.82	-110.11
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245981	1	35	-2.0	-110.41	335.56	6.24	-104.17
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245982	1	32	-2.0	-108.82	311.54	1.77	-107.05
CSCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245983	1	32	-2.0	-109.55	327.58	5.12	-104.43
COC[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245984	1	32	-2.0	-112.12	316.15	2.90	-109.22
CC[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245985	1	31	-2.0	-109.24	304.79	4.66	-104.58
CCC(C)CC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245986	1	40	-2.0	-111.80	361.72	6.66	-105.14
C=CCCCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245987	1	38	-2.0	-109.56	359.76	6.79	-102.77
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245988	1	33	-2.0	-114.99	317.46	8.04	-106.95
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245989	1	32	-2.0	-117.68	306.15	6.39	-111.29
CCCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245990	1	34	-2.0	-109.61	326.28	5.43	-104.18
CC(C)[C@@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245991	1	34	-2.0	-110.50	316.90	4.99	-105.51
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245992	1	36	-2.0	-123.50	327.55	8.28	-115.22
CCN(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(C)(C)C(=O)[O-]	REAL300013245993	1	37	-2.0	-114.80	330.56	7.64	-107.16
CCCN(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(C)C(=O)[O-]	REAL300013245994	1	37	-2.0	-105.57	337.74	7.71	-97.86
CCC[C@@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013245995	1	34	-2.0	-109.57	326.04	5.49	-104.08
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245996	1	36	-2.0	-122.99	330.13	7.60	-115.39
O=C([O-])[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1=CC=CC=C1	REAL300013245997	1	35	-2.0	-116.93	340.97	6.73	-110.20
CN(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(C)(C)C(=O)[O-]	REAL300013245998	1	34	-2.0	-113.62	312.06	6.78	-106.84
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013245999	1	32	-2.0	-117.81	306.21	6.39	-111.42
CCC(C)CC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246001	1	40	-2.0	-111.80	361.72	6.66	-105.14
C#CCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246002	1	30	-2.0	-108.90	310.22	5.09	-103.81
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246003	1	31	-2.0	-101.63	296.85	5.96	-95.67
CC(C)=CCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246004	1	38	-2.0	-110.72	356.66	6.58	-104.14
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246005	1	40	-2.0	-105.14	356.08	8.54	-96.60
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1=CC=CC=N1	REAL300013246006	1	34	-2.0	-120.16	337.34	5.15	-115.01
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1=CC=CN=C1	REAL300013246008	1	34	-2.0	-113.55	335.61	5.02	-108.53
C=CCCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246009	1	35	-2.0	-109.53	338.26	6.01	-103.52
CC#CCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246010	1	33	-2.0	-110.77	332.88	6.04	-104.73
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246011	1	35	-2.0	-117.24	322.47	7.19	-110.05
CC(C)[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246012	1	34	-2.0	-110.04	315.91	4.99	-105.05
O=C([O-])[C@@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1=CC=CC=C1	REAL300013246013	1	35	-2.0	-116.96	340.91	6.74	-110.22
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246014	1	31	-2.0	-101.14	297.93	6.01	-95.13
CCC[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246015	1	34	-2.0	-109.53	325.45	5.45	-104.08
CCN(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(C)C(=O)[O-]	REAL300013246016	1	34	-2.0	-111.09	318.29	7.38	-103.71
O=C([O-])CN(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CCCC1	REAL300013246017	1	38	-2.0	-111.21	341.16	8.34	-102.87
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246018	1	37	-2.0	-111.22	334.37	5.62	-105.60
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246019	1	34	-2.0	-101.90	317.87	6.99	-94.91
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)CC(CO)C1	REAL300013246020	1	36	-2.0	-118.34	338.19	2.56	-115.78
CC1CCC(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)(C(=O)[O-])C1	REAL300013246021	1	38	-2.0	-116.59	339.97	6.32	-110.27
COCCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246022	1	35	-2.0	-107.80	337.63	3.75	-104.05
CC1(C)CC(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)(C(=O)[O-])C1	REAL300013246023	1	38	-2.0	-117.54	342.36	6.96	-110.58
CC1(C(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)C(=O)[O-])CC1	REAL300013246024	1	35	-2.0	-113.38	328.39	6.02	-107.36
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246025	1	33	-2.0	-124.69	317.44	3.18	-121.51
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CCOC1	REAL300013246026	1	36	-2.0	-106.96	334.88	3.70	-103.26
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246027	1	36	-2.0	-120.81	327.39	7.76	-113.05
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC(C3CC3)=C(Br)S1)C2	REAL300013246028	1	34	-2.0	-116.77	320.30	5.29	-111.48
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC3)=C(Br)S2)C1	REAL300013246029	1	38	-2.0	-123.31	333.66	8.88	-114.43
CN(C(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1(C(=O)[O-])CC1	REAL300013246030	1	32	-2.0	-113.49	312.42	6.54	-106.95
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CCC1	REAL300013246031	1	35	-2.0	-111.94	324.46	5.62	-106.32
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CCC1	REAL300013246032	1	35	-2.0	-111.94	324.46	5.62	-106.32
CC1CCN(C(=O)[N-]C2=NC(C3CC3)=C(Br)S2)C1C(=O)[O-]	REAL300013246033	1	35	-2.0	-119.00	325.98	7.22	-111.78
C=CCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246034	1	32	-2.0	-108.95	318.10	5.12	-103.83
COC1CC(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)(C(=O)[O-])C1	REAL300013246035	1	36	-2.0	-112.54	337.66	4.12	-108.42
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)CC(F)(F)C1	REAL300013246036	1	32	-2.0	-109.94	314.34	5.30	-104.64
CO[C@H]1C[C@](NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)(C(=O)[O-])C1	REAL300013246037	1	36	-2.0	-118.32	337.87	4.53	-113.79
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246038	1	38	-2.0	-119.16	336.11	8.13	-111.03
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)COC1	REAL300013246039	1	30	-2.0	-108.02	296.73	2.30	-105.72
CC(C)C(C)(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246040	1	37	-2.0	-113.09	323.84	5.57	-107.52
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246041	1	33	-2.0	-121.68	312.70	7.77	-113.91
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246042	1	36	-2.0	-121.10	328.50	7.28	-113.82
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246043	1	37	-2.0	-103.73	332.53	7.80	-95.93
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246044	1	32	-2.0	-112.19	311.88	6.73	-105.46
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246045	1	34	-2.0	-121.48	321.87	7.51	-113.97
CC1(C)CCN(C(=O)[N-]C2=NC(C3CC3)=C(Br)S2)C1C(=O)[O-]	REAL300013246046	1	38	-2.0	-119.89	337.72	7.58	-112.31
CC(C)CCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246047	1	40	-2.0	-110.22	365.35	6.73	-103.49
C[C@H](O)[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246048	1	32	-2.0	-105.20	308.73	1.19	-104.01
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246049	1	29	-2.0	-112.93	293.91	0.50	-112.43
O=C([O-])C1(NC(=O)[N-]C2=NC(C3CC3)=C(Br)S2)CCC2CC21	REAL300013246050	1	36	-2.0	-118.16	327.28	6.52	-111.64
O=C([O-])C(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C1CCCC1	REAL300013246051	1	38	-2.0	-112.06	344.10	6.31	-105.75
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246052	1	35	-2.0	-112.47	334.79	3.90	-108.57
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246053	1	35	-2.0	-116.98	323.93	6.09	-110.89
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC(C3CC3)=C(Br)S2)C1	REAL300013246054	1	38	-2.0	-121.07	345.64	7.51	-113.56
O=C([O-])C1N(C(=O)[N-]C2=NC(C3CC3)=C(Br)S2)CCC1(F)F	REAL300013246055	1	32	-2.0	-114.32	317.06	6.76	-107.56
COCCCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246056	1	38	-2.0	-110.34	359.12	4.52	-105.82
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246057	1	37	-2.0	-103.41	338.78	7.88	-95.53
CCOCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246058	1	35	-2.0	-112.84	338.01	3.88	-108.96
CC(C)(C)CC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246059	1	40	-2.0	-111.27	355.64	7.07	-104.20
C[C@H]1OCCN(C(=O)[N-]C2=NC(C3CC3)=C(Br)S2)[C@@H]1C(=O)[O-]	REAL300013246060	1	36	-2.0	-118.09	328.48	6.19	-111.90
N#CCCC(NC(=O)[N-]C1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246061	1	32	-2.0	-104.21	324.81	5.18	-99.03
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300013246062	1	31	-2.0	-101.16	297.92	6.01	-95.15
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013246458	0	45	-2.0	-138.24	380.35	7.23	-131.01
CC1=CC(OCC2=CC=CN=C2)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013246682	0	48	-2.0	-118.95	404.23	8.22	-110.73
CC1=CC(OCC2=CC=NC=C2)=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013246898	0	48	-2.0	-118.32	404.28	8.23	-110.09
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013247157	0	45	-2.0	-129.82	378.05	7.01	-122.81
O=C([O-])C1CC(NC(=O)NC2=CC=C3CCOCC3=C2)(C(=O)[O-])C1	REAL300013247445	0	40	-2.0	-123.85	334.63	6.02	-117.83
CC(C)(C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1)S(C)(=O)=O	REAL300013247832	0	47	-2.0	-125.62	388.42	4.92	-120.70
O=C([O-])C1CC(NC(=O)NC2=CN(CC3=CC=C(F)C=C3)N=C2)(C(=O)[O-])C1	REAL300013248225	0	42	-2.0	-123.34	369.42	7.51	-115.83
O=C([O-])C1CC(NC(=O)NC2=CC=C3NC(=O)C(F)(F)C3=C2)(C(=O)[O-])C1	REAL300013248522	0	37	-2.0	-124.03	334.20	4.39	-119.64
CCN1N=C(C(C)(C)C)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013248839	0	47	-2.0	-122.64	384.92	7.96	-114.68
O=C([O-])C1CC(NC(=O)NC2=CN(C3CCNC3=O)N=C2)(C(=O)[O-])C1	REAL300013249163	0	40	-2.0	-130.56	344.54	2.04	-128.52
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3=CN=CN=C3)=C2)(C(=O)[O-])C1	REAL300013249495	0	40	-2.0	-123.09	345.17	7.36	-115.73
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3=CC=CN=C3)=C2)(C(=O)[O-])C1	REAL300013249819	0	41	-2.0	-124.69	350.20	7.58	-117.11
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249866	1	51	-2.0	-124.88	410.27	7.28	-117.60
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249867	1	48	-2.0	-122.13	402.01	9.79	-112.34
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(=O)[O-])C=C1	REAL300013249868	1	45	-2.0	-129.96	388.30	6.81	-123.15
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249869	1	38	-2.0	-115.21	346.46	4.83	-110.38
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCSCC1	REAL300013249870	1	43	-2.0	-122.51	358.09	5.91	-116.60
COCC(C)(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249871	1	42	-2.0	-126.79	353.15	3.67	-123.12
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249872	1	45	-2.0	-115.47	375.26	5.66	-109.81
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249873	1	44	-2.0	-118.94	366.72	7.23	-111.71
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CC1	REAL300013249874	1	39	-2.0	-120.33	331.92	6.40	-113.93
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249875	1	41	-2.0	-113.70	370.44	7.30	-106.40
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCOC1	REAL300013249876	1	40	-2.0	-123.13	336.41	2.53	-120.60
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCCCC1	REAL300013249877	1	48	-2.0	-126.06	383.84	6.34	-119.72
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=C(O)C=C1	REAL300013249878	1	43	-2.0	-126.16	377.71	3.36	-122.80
CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013249879	1	49	-2.0	-117.09	403.04	7.14	-109.95
C=CCOCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249880	1	43	-2.0	-125.12	377.25	3.89	-121.23
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249881	1	43	-2.0	-140.99	354.15	4.13	-136.86
C=CC(C)C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249882	1	42	-2.0	-122.65	355.28	4.91	-117.74
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCOCC1	REAL300013249883	1	46	-2.0	-123.41	380.79	4.10	-119.31
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=C(F)C(F)=C1	REAL300013249884	1	42	-2.0	-118.82	379.60	6.25	-112.57
COC1CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(C(=O)[O-])C1	REAL300013249885	1	46	-2.0	-137.75	374.01	6.69	-131.06
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCCOC1	REAL300013249886	1	46	-2.0	-121.88	375.23	3.88	-118.00
CC1CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(C(=O)[O-])C1	REAL300013249887	1	45	-2.0	-137.30	357.50	7.83	-129.47
CC1=CC(C(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(=O)[O-])=CC=C1F	REAL300013249888	1	45	-2.0	-122.23	393.05	6.86	-115.37
CC1=CC(C)=CC(C(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(=O)[O-])=C1	REAL300013249889	1	48	-2.0	-131.81	409.12	7.50	-124.31
CC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(=O)[O-])C=C1C	REAL300013249890	1	48	-2.0	-131.54	404.72	7.38	-124.16
CC(C)C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249891	1	41	-2.0	-122.34	342.88	4.39	-117.95
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249892	1	42	-2.0	-136.28	343.34	7.55	-128.73
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=C(Cl)C=C1	REAL300013249893	1	42	-2.0	-122.04	383.43	6.73	-115.31
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249894	1	40	-2.0	-128.44	343.44	7.51	-120.93
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCCCC1	REAL300013249895	1	45	-2.0	-129.34	360.28	6.22	-123.12
O=C([O-])C1CCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249896	1	39	-2.0	-129.83	331.35	6.07	-123.76
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCCC1	REAL300013249897	1	42	-2.0	-128.43	345.76	5.13	-123.30
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCCCCC1	REAL300013249898	1	48	-2.0	-129.65	365.92	6.89	-122.76
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249899	1	45	-2.0	-123.69	389.14	7.08	-116.61
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249900	1	45	-2.0	-122.44	389.81	9.17	-113.27
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=CC=C1	REAL300013249901	1	42	-2.0	-129.49	366.94	6.12	-123.37
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=CC=C1	REAL300013249902	1	42	-2.0	-129.70	366.92	6.13	-123.57
CCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249903	1	38	-2.0	-120.76	330.77	4.05	-116.71
CC(C)C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249904	1	41	-2.0	-122.34	342.88	4.39	-117.95
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249905	1	36	-2.0	-124.38	320.24	-0.06	-124.44
O=C([O-])C(CO)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249906	1	36	-2.0	-124.38	320.24	-0.06	-124.44
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249907	1	45	-2.0	-123.69	389.14	7.08	-116.61
CCC(C)C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249908	1	44	-2.0	-124.01	365.75	5.26	-118.75
O=C([O-])C1CCCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249909	1	42	-2.0	-136.28	343.34	7.55	-128.73
CCCC(C)(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249910	1	44	-2.0	-124.74	356.41	5.14	-119.60
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249911	1	41	-2.0	-119.75	341.04	6.50	-113.25
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CC1	REAL300013249912	1	39	-2.0	-120.33	331.92	6.40	-113.93
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249913	1	39	-2.0	-119.42	343.63	6.73	-112.69
CC(C)CN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249914	1	44	-2.0	-118.94	366.72	7.23	-111.71
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249915	1	46	-2.0	-138.27	381.80	9.70	-128.57
CC(C)(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249916	1	38	-2.0	-102.83	321.52	3.44	-99.39
CC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)(C(=O)[O-])C1CC1	REAL300013249917	1	42	-2.0	-126.68	345.01	5.09	-121.59
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=CS1	REAL300013249918	1	39	-2.0	-126.18	358.57	5.21	-120.97
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCCCC1	REAL300013249919	1	45	-2.0	-129.34	360.28	6.22	-123.12
CC(C)N(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249920	1	41	-2.0	-119.75	341.04	6.50	-113.25
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249921	1	41	-2.0	-119.23	352.31	6.92	-112.31
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249922	1	38	-2.0	-118.77	330.81	6.17	-112.60
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249923	1	36	-2.0	-124.55	320.37	-0.11	-124.66
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249924	1	44	-2.0	-123.67	361.27	5.07	-118.60
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCCC1	REAL300013249925	1	42	-2.0	-128.43	345.76	5.13	-123.30
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249926	1	45	-2.0	-111.47	390.16	8.95	-102.52
CCC(C)(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249927	1	41	-2.0	-123.79	334.91	4.39	-119.40
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC2=CC=CC=C2C1	REAL300013249928	1	46	-2.0	-132.83	384.87	7.28	-125.55
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC(F)=CC=C1F	REAL300013249929	1	42	-2.0	-128.81	377.73	6.28	-122.53
CC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013249930	1	45	-2.0	-131.41	375.03	6.88	-124.53
CCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249931	1	38	-2.0	-118.77	330.81	6.17	-112.60
CCCCCCC(C)(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249932	1	53	-2.0	-125.68	420.90	7.47	-118.21
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249933	1	40	-2.0	-130.72	342.72	2.70	-128.02
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013249934	1	36	-2.0	-128.04	315.08	4.19	-123.85
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=C(Cl)C=C1	REAL300013249935	1	42	-2.0	-122.04	383.43	6.73	-115.31
O=C([O-])C1COCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249936	1	40	-2.0	-129.70	334.52	5.08	-124.62
CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1(C(=O)[O-])CCCCC1	REAL300013249937	1	48	-2.0	-128.45	371.68	7.95	-120.50
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CC1	REAL300013249938	1	39	-2.0	-123.70	337.15	4.55	-119.15
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249939	1	48	-2.0	-122.46	412.22	9.95	-112.51
CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013249940	1	45	-2.0	-122.92	379.30	8.59	-114.33
COCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249941	1	42	-2.0	-120.16	362.15	5.33	-114.83
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCC2=CC=CC=C21	REAL300013249942	1	46	-2.0	-136.78	381.62	7.14	-129.64
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249943	1	39	-2.0	-130.38	332.25	5.79	-124.59
O=C([O-])[C@H]1CCCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249944	1	42	-2.0	-136.29	343.30	7.55	-128.74
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249945	1	40	-2.0	-128.16	342.75	2.68	-125.48
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249946	1	38	-2.0	-111.74	323.39	5.30	-106.44
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249947	1	39	-2.0	-129.67	331.49	6.06	-123.61
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCC1	REAL300013249948	1	39	-2.0	-128.66	332.00	4.71	-123.95
C=CCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249949	1	39	-2.0	-120.69	343.81	4.57	-116.12
CC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249950	1	42	-2.0	-129.39	348.43	6.62	-122.77
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249951	1	45	-2.0	-134.88	358.38	8.12	-126.76
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CC1	REAL300013249952	1	39	-2.0	-123.70	337.15	4.55	-119.15
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249953	1	38	-2.0	-111.78	323.92	5.41	-106.37
CCCCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249954	1	44	-2.0	-121.50	373.53	5.66	-115.84
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=CC(O)=C1	REAL300013249955	1	43	-2.0	-128.46	377.72	3.35	-125.11
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249956	1	48	-2.0	-122.46	412.22	9.95	-112.51
C[C@@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249957	1	42	-2.0	-129.40	348.44	6.62	-122.78
CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1(C(=O)[O-])CCCCC1	REAL300013249958	1	48	-2.0	-128.45	371.68	7.95	-120.50
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCCC1	REAL300013249959	1	45	-2.0	-120.02	367.15	7.74	-112.28
COCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249960	1	39	-2.0	-123.52	342.49	2.34	-121.18
CCCCCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249961	1	47	-2.0	-121.53	395.02	6.45	-115.08
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249962	1	44	-2.0	-123.42	359.94	5.19	-118.23
CCC1CCC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)(C(=O)[O-])CC1	REAL300013249963	1	51	-2.0	-129.57	399.34	7.47	-122.10
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCOCC1	REAL300013249964	1	46	-2.0	-120.05	375.59	6.07	-113.98
CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1(C(=O)[O-])CCCC1	REAL300013249965	1	45	-2.0	-132.90	359.67	7.31	-125.59
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CC1	REAL300013249966	1	42	-2.0	-111.95	348.54	7.86	-104.09
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CC1	REAL300013249967	1	45	-2.0	-116.72	365.61	8.07	-108.65
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=CC=C1Cl	REAL300013249968	1	42	-2.0	-129.79	378.81	6.56	-123.23
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=CC=C1F	REAL300013249969	1	42	-2.0	-133.49	370.50	6.24	-127.25
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249970	1	46	-2.0	-128.75	383.88	8.89	-119.86
CC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(=O)[O-])=C1C	REAL300013249971	1	48	-2.0	-130.57	395.95	7.15	-123.42
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249972	1	41	-2.0	-119.23	352.31	6.92	-112.31
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CC1	REAL300013249973	1	46	-2.0	-114.79	379.33	7.53	-107.26
CC(C(=O)[O-])N(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCC1	REAL300013249974	1	45	-2.0	-111.91	364.81	7.31	-104.60
CCCN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(COC)C(=O)[O-]	REAL300013249975	1	48	-2.0	-118.44	391.54	6.54	-111.90
CCCN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(CC)C(=O)[O-]	REAL300013249976	1	47	-2.0	-114.35	378.54	7.87	-106.48
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249977	1	44	-2.0	-122.71	368.63	5.44	-117.27
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCOCC1	REAL300013249978	1	43	-2.0	-124.74	351.82	3.73	-121.01
C=CCCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249979	1	42	-2.0	-121.18	364.84	5.45	-115.73
O=C([O-])C(CF)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249980	1	35	-2.0	-105.34	312.56	3.07	-102.27
CCC(CC)(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249981	1	44	-2.0	-126.12	351.58	5.27	-120.85
COC1=CC=C(C(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(=O)[O-])C=C1	REAL300013249982	1	46	-2.0	-126.68	396.19	5.51	-121.17
CCC(COC)(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249983	1	45	-2.0	-128.73	369.59	4.59	-124.14
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249984	1	42	-2.0	-122.41	361.54	5.63	-116.78
COCCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249985	1	42	-2.0	-119.14	364.44	3.11	-116.03
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249986	1	38	-2.0	-115.55	343.12	4.34	-111.21
CCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013249987	1	48	-2.0	-132.68	391.73	7.77	-124.91
COC1CCCC(C(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(=O)[O-])C1	REAL300013249988	1	52	-2.0	-127.69	421.87	5.51	-122.18
O=C([O-])C(CCF)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249989	1	38	-2.0	-115.80	337.36	4.19	-111.61
COC1(CC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(=O)[O-])CCC1	REAL300013249990	1	49	-2.0	-126.95	400.87	5.22	-121.73
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCOCC1	REAL300013249991	1	46	-2.0	-120.05	375.59	6.07	-113.98
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCCCC1	REAL300013249992	1	48	-2.0	-121.50	384.53	8.44	-113.06
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)(C(=O)[O-])CC1	REAL300013249993	1	48	-2.0	-129.86	374.08	6.61	-123.25
COC1=CC=CC(C(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(=O)[O-])=C1	REAL300013249994	1	46	-2.0	-131.15	396.20	5.50	-125.65
CC(CCF)(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013249995	1	41	-2.0	-118.78	341.50	4.52	-114.26
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC=C(C3CCCCO3)S1)OC=C2	REAL300013249996	1	43	-2.0	-125.13	366.51	7.07	-118.06
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(=O)[O-])=C1	REAL300013249997	1	46	-2.0	-131.17	395.79	5.46	-125.71
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013249998	1	38	-2.0	-112.46	322.83	5.35	-107.11
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013249999	1	48	-2.0	-131.33	398.12	8.09	-123.24
CC1(C)CCCC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)(C(=O)[O-])C1	REAL300013250000	1	51	-2.0	-131.22	388.20	7.10	-124.12
O=C([O-])C12CC(C1)CN2C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250001	1	40	-2.0	-134.27	337.82	6.66	-127.61
COC1CN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(C)(C(=O)[O-])C1	REAL300013250002	1	46	-2.0	-128.50	381.68	5.60	-122.90
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250003	1	49	-2.0	-124.19	397.93	5.57	-118.62
CC(C)(C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250004	1	44	-2.0	-123.42	359.94	5.19	-118.23
C=C(Cl)CC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250005	1	39	-2.0	-118.64	359.00	5.24	-113.40
C=C(C)CC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250006	1	42	-2.0	-120.87	363.66	5.43	-115.44
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250007	1	43	-2.0	-134.08	351.25	7.39	-126.69
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250008	1	40	-2.0	-128.95	343.40	2.40	-126.55
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250009	1	39	-2.0	-119.18	344.34	6.23	-112.95
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250010	1	39	-2.0	-124.05	337.94	6.17	-117.88
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013250011	1	40	-2.0	-130.65	344.70	6.52	-124.13
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250012	1	49	-2.0	-122.60	402.23	4.88	-117.72
CC(C)C[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250013	1	44	-2.0	-122.71	368.63	5.44	-117.27
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCOCC1	REAL300013250014	1	46	-2.0	-123.41	380.79	4.10	-119.31
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=CC=C1	REAL300013250015	1	42	-2.0	-129.70	366.92	6.13	-123.57
O=C([O-])C(CC1CC1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250016	1	42	-2.0	-122.41	361.54	5.63	-116.78
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250017	1	41	-2.0	-120.97	374.91	4.26	-116.71
CC(C)CCCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250018	1	50	-2.0	-122.10	412.83	6.89	-115.21
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250019	1	46	-2.0	-128.98	386.96	4.43	-124.55
C[C@@H](O)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250020	1	39	-2.0	-120.46	337.52	1.17	-119.29
CSCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250021	1	39	-2.0	-121.50	354.47	4.40	-117.10
COC[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250022	1	39	-2.0	-123.73	342.13	2.29	-121.44
CC[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250023	1	38	-2.0	-121.00	330.76	4.05	-116.95
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250024	1	45	-2.0	-118.86	395.36	7.20	-111.66
CCC(C)CC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250025	1	47	-2.0	-122.94	387.70	6.01	-116.93
C=CCCCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250026	1	45	-2.0	-121.37	386.34	6.23	-115.14
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250027	1	45	-2.0	-119.18	395.54	7.14	-112.04
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250028	1	40	-2.0	-128.44	343.44	7.51	-120.93
CC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013250029	1	45	-2.0	-131.41	375.03	6.88	-124.53
O=C([O-])[C@H]1CCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250030	1	39	-2.0	-130.38	332.25	5.79	-124.59
CCCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250031	1	41	-2.0	-121.34	352.27	4.82	-116.52
CC(C)[C@@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250032	1	41	-2.0	-122.38	347.79	4.64	-117.74
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250033	1	43	-2.0	-136.95	354.06	7.73	-129.22
CCN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(C)(C)C(=O)[O-]	REAL300013250034	1	44	-2.0	-126.65	356.54	7.09	-119.56
CCCN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(C)C(=O)[O-]	REAL300013250035	1	44	-2.0	-113.72	361.53	6.93	-106.79
CCC[C@@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250036	1	41	-2.0	-121.24	352.01	4.88	-116.36
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250037	1	43	-2.0	-131.65	356.07	7.03	-124.62
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=CC=C1	REAL300013250038	1	42	-2.0	-129.49	366.94	6.12	-123.37
CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(C)(C)C(=O)[O-]	REAL300013250039	1	41	-2.0	-125.42	338.04	6.23	-119.19
O=C([O-])[C@@H]1CCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250040	1	39	-2.0	-129.67	331.49	6.06	-123.61
CCC(C)CC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250043	1	47	-2.0	-122.94	387.70	6.01	-116.93
C#CCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250044	1	37	-2.0	-120.61	337.04	4.46	-116.15
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250045	1	48	-2.0	-118.68	394.61	9.12	-109.56
CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250046	1	38	-2.0	-111.78	323.92	5.41	-106.37
CC(C)=CCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250047	1	45	-2.0	-123.22	382.56	5.99	-117.23
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250048	1	44	-2.0	-120.43	384.00	5.38	-115.05
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250049	1	48	-2.0	-116.19	395.54	6.41	-109.78
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250050	1	47	-2.0	-113.99	381.74	7.73	-106.26
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=CC=N1	REAL300013250051	1	41	-2.0	-132.48	363.31	4.55	-127.93
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250052	1	48	-2.0	-132.37	385.90	8.53	-123.84
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250053	1	48	-2.0	-118.64	394.57	9.14	-109.50
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250056	1	44	-2.0	-120.43	384.00	5.38	-115.05
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=CN=C1	REAL300013250057	1	41	-2.0	-125.61	361.82	4.35	-121.26
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250058	1	46	-2.0	-130.31	376.92	6.84	-123.47
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250059	0	46	-2.0	-133.60	385.28	10.07	-123.53
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250060	1	47	-2.0	-121.02	407.06	6.07	-114.95
C=CCCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250061	1	42	-2.0	-121.18	364.84	5.45	-115.73
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250062	1	41	-2.0	-122.59	375.46	4.13	-118.46
CC#CCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250063	1	40	-2.0	-122.56	358.87	5.42	-117.14
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1=O	REAL300013250064	1	43	-2.0	-124.57	359.58	5.44	-119.13
C[C@]1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250065	1	42	-2.0	-129.44	348.61	6.62	-122.82
CC(C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250066	1	41	-2.0	-122.03	341.89	4.38	-117.65
O=C([O-])[C@@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=CC=C1	REAL300013250067	1	42	-2.0	-129.68	366.89	6.12	-123.56
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250068	1	45	-2.0	-129.76	380.71	5.47	-124.29
C[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250069	1	38	-2.0	-112.46	322.83	5.35	-107.11
CCC[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250070	1	41	-2.0	-121.43	352.02	4.88	-116.55
CCN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(C)C(=O)[O-]	REAL300013250071	1	41	-2.0	-112.93	340.08	6.09	-106.84
O=C([O-])CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCCC1	REAL300013250072	1	45	-2.0	-120.02	367.15	7.74	-112.28
CC[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250073	1	44	-2.0	-123.67	361.27	5.07	-118.60
CC[C@@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250074	1	41	-2.0	-113.38	343.30	6.34	-107.04
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC(CO)C1	REAL300013250075	1	43	-2.0	-133.52	362.44	1.89	-131.63
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250076	1	51	-2.0	-128.33	414.76	5.33	-123.00
CC1CCC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)(C(=O)[O-])C1	REAL300013250077	1	45	-2.0	-129.41	366.83	5.75	-123.66
CC1(C)CCCC1(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250078	1	48	-2.0	-132.32	374.63	6.35	-125.97
COCCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250079	1	42	-2.0	-119.14	364.44	3.11	-116.03
CC1(C)CC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)(C(=O)[O-])C1	REAL300013250080	1	45	-2.0	-130.58	368.43	6.41	-124.17
CC1(C(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(=O)[O-])CC1	REAL300013250081	1	42	-2.0	-125.47	354.36	5.42	-120.05
C[C@H](OC(C)(C)C)[C@@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250082	1	51	-2.0	-127.95	414.79	5.28	-122.67
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250083	1	40	-2.0	-137.06	342.15	2.60	-134.46
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCOC1	REAL300013250084	1	43	-2.0	-119.91	357.99	2.99	-116.92
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250085	1	43	-2.0	-133.48	353.71	7.22	-126.26
O=C([O-])C12COC(CN1C(=O)[N-]C1=NC=C(C3CCCCO3)S1)C2	REAL300013250086	1	41	-2.0	-129.19	344.72	4.93	-124.26
CC1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013250087	1	45	-2.0	-136.77	364.32	8.04	-128.73
CC(C1=CC=CC=C1)C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250088	1	48	-2.0	-125.29	405.92	7.49	-117.80
CN(C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1(C(=O)[O-])CC1	REAL300013250089	1	39	-2.0	-125.45	338.39	5.92	-119.53
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250090	1	49	-2.0	-124.68	402.62	7.22	-117.46
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCC1	REAL300013250091	1	42	-2.0	-123.87	355.64	5.11	-118.76
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCCCC1	REAL300013250092	1	48	-2.0	-126.06	383.84	6.34	-119.72
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCC1	REAL300013250093	1	42	-2.0	-123.87	355.64	5.11	-118.76
CC1CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1C(=O)[O-]	REAL300013250094	1	42	-2.0	-130.92	345.11	6.62	-124.30
C=CCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250095	1	39	-2.0	-120.69	343.81	4.57	-116.12
O=C([O-])C(CC1CCCCO1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250096	1	49	-2.0	-127.16	404.14	5.25	-121.91
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250097	1	49	-2.0	-130.34	378.95	7.94	-122.40
CC1(C)CC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)(C(=O)[O-])CCO1	REAL300013250098	1	49	-2.0	-125.82	380.82	5.02	-120.80
O=C([O-])C(CC1CC=CCC1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250099	1	49	-2.0	-124.68	402.62	7.22	-117.46
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250100	1	45	-2.0	-120.95	395.37	7.20	-113.75
COC1CC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)(C(=O)[O-])C1	REAL300013250101	1	43	-2.0	-131.15	364.18	3.94	-127.21
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC(F)(F)C1	REAL300013250102	1	39	-2.0	-122.02	340.43	4.74	-117.28
CO[C@H]1C[C@](NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)(C(=O)[O-])C1	REAL300013250103	1	43	-2.0	-125.27	363.48	3.59	-121.68
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1(C(F)(F)F)CC1	REAL300013250104	1	42	-2.0	-119.88	368.72	5.83	-114.05
CCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250105	1	45	-2.0	-131.66	361.84	7.87	-123.79
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250106	1	38	-2.0	-115.21	346.46	4.83	-110.38
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250107	1	46	-2.0	-120.40	384.88	4.17	-116.23
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)COC1	REAL300013250108	1	37	-2.0	-119.79	322.71	1.75	-118.04
O=C([O-])C(CC1=CC=CS1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250109	1	42	-2.0	-121.47	381.15	6.13	-115.34
CC(C)C(C)(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250110	1	44	-2.0	-125.29	351.64	5.07	-120.22
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250111	1	40	-2.0	-135.08	339.08	7.21	-127.87
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250112	1	43	-2.0	-133.99	354.52	6.85	-127.14
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250113	1	48	-2.0	-118.64	394.57	9.14	-109.50
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250114	1	51	-2.0	-124.88	410.27	7.28	-117.60
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250115	1	48	-2.0	-123.71	411.33	7.87	-115.84
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250116	1	48	-2.0	-123.49	411.92	7.91	-115.58
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CC2CCC1C2	REAL300013250117	1	49	-2.0	-127.25	392.54	6.91	-120.34
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250118	1	51	-2.0	-124.80	410.89	7.33	-117.47
O=C([O-])[C@H](CC1CCCCC1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250119	1	51	-2.0	-125.08	411.09	7.25	-117.83
O=C([O-])C1CC2(CCCC2)CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250120	1	49	-2.0	-131.18	394.39	8.07	-123.11
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250121	1	49	-2.0	-134.95	390.30	7.80	-127.15
C=CCSCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250122	1	43	-2.0	-122.21	388.75	5.85	-116.36
CCC(C(=O)[O-])N(CC)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250123	1	44	-2.0	-113.79	357.59	7.16	-106.63
COC1(C(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C(=O)[O-])CCC1	REAL300013250124	1	46	-2.0	-123.12	378.36	3.73	-119.39
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC(C(F)F)C1	REAL300013250125	1	42	-2.0	-130.36	363.89	5.55	-124.81
O=C([O-])C1CC(NC(=O)NC2=NC=C(C3CCCCO3)S2)(C(=O)[O-])C1	REAL300013250126	0	42	-2.0	-121.25	362.64	6.39	-114.86
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)(C(=O)[O-])C1	REAL300013250126	1	41	-3.0	-206.73	360.77	5.30	-201.43
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250127	1	39	-2.0	-124.05	337.94	6.17	-117.88
O=C([O-])C1C2C=CC(C2)N1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250128	1	41	-2.0	-127.00	347.19	6.90	-120.10
CC1(C)CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1C(=O)[O-]	REAL300013250129	1	45	-2.0	-133.76	367.53	6.75	-127.01
O=C([O-])C1CCC2(CCC2)CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250130	1	49	-2.0	-139.41	389.00	9.19	-130.22
CC(C)CCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250131	1	47	-2.0	-122.03	391.09	6.18	-115.85
O=C([O-])C1CC2(CCC2)CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250132	1	46	-2.0	-130.93	379.56	7.59	-123.34
O=C([O-])C(CC1CCOC1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250133	1	46	-2.0	-120.40	384.88	4.17	-116.23
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013250134	1	43	-2.0	-126.31	375.72	7.07	-119.24
C[C@H](O)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250135	1	39	-2.0	-125.79	338.65	1.55	-124.24
O=C([O-])[C@H](CO)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250136	1	36	-2.0	-124.55	320.37	-0.11	-124.66
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCCC2CC21	REAL300013250137	1	46	-2.0	-132.32	366.10	6.87	-125.45
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCC2CC21	REAL300013250138	1	43	-2.0	-130.83	353.26	5.95	-124.88
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC2(CCC2)C1	REAL300013250139	1	46	-2.0	-131.57	380.57	6.59	-124.98
O=C([O-])C1CC2(CN1C(=O)[N-]C1=NC=C(C3CCCCO3)S1)CCCCC2	REAL300013250140	1	52	-2.0	-132.01	407.86	8.57	-123.44
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCCC1	REAL300013250141	1	45	-2.0	-125.17	366.97	5.58	-119.59
CO[C@H](C)[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250142	1	42	-2.0	-124.35	360.76	3.30	-121.05
CC1[C@@H](C)[C@@]1(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250143	1	42	-2.0	-128.44	347.59	5.38	-123.06
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250144	1	45	-2.0	-122.44	389.81	9.17	-113.27
CC1(C)CC(C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013250145	1	45	-2.0	-129.59	371.61	6.92	-122.67
O=C([O-])C1CC(F)(F)CCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250146	1	42	-2.0	-126.86	354.69	7.67	-119.19
O=C([O-])C1N(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCC1(F)F	REAL300013250147	1	39	-2.0	-126.73	343.03	6.20	-120.53
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250148	1	45	-2.0	-120.95	395.37	7.20	-113.75
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250149	1	42	-2.0	-121.20	380.02	5.99	-115.21
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250150	1	42	-2.0	-118.66	360.54	6.74	-111.92
O=C([O-])C(CC1=CSC=C1)NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250151	1	42	-2.0	-121.20	380.02	5.99	-115.21
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250152	1	46	-2.0	-133.95	369.29	7.19	-126.76
O=C([O-])[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=CC=C(O)C=C1	REAL300013250153	1	43	-2.0	-126.29	377.96	3.27	-123.02
COCCCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250154	1	45	-2.0	-122.35	385.94	3.89	-118.46
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250155	1	44	-2.0	-113.71	365.36	7.16	-106.55
CCOCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250156	1	42	-2.0	-124.31	364.48	3.28	-121.03
CC(C)(C)CC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250157	1	47	-2.0	-123.36	381.62	6.46	-116.90
O=C([O-])C(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CCCCO1	REAL300013250158	1	46	-2.0	-127.27	381.87	4.66	-122.61
O=C([O-])C1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC2=CC=CC=C2C1	REAL300013250159	1	46	-2.0	-132.83	384.87	7.28	-125.55
C[C@H]1OCCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)[C@@H]1C(=O)[O-]	REAL300013250160	1	43	-2.0	-131.78	354.55	5.65	-126.13
N#CCCC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250161	1	39	-2.0	-114.79	351.63	4.55	-110.24
O=C([O-])CN(CC1=CC=CO1)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250162	1	42	-2.0	-122.04	371.48	7.31	-114.73
C[C@H](C(=O)[O-])N(C)C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013250163	1	38	-2.0	-111.74	323.39	5.30	-106.44
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013250164	1	46	-2.0	-125.49	385.79	6.11	-119.38
C=CCN(C(=O)[N-]C1=NC2=C(CCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013250165	1	45	-2.0	-114.72	378.86	10.78	-103.94
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250166	1	38	-2.0	-127.37	353.46	7.55	-119.82
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250167	1	44	-2.0	-132.10	381.88	9.15	-122.95
O=C([O-])C(CC1CCCCC1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250168	1	44	-2.0	-128.06	360.17	7.34	-120.72
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250169	1	41	-2.0	-124.12	351.08	9.90	-114.22
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1	REAL300013250170	1	38	-2.0	-132.98	337.17	6.97	-126.01
O=C([O-])C(CC(F)(F)F)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250171	1	31	-2.0	-118.10	294.95	4.87	-113.23
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC2=CC=CC=C2C=C1	REAL300013250172	1	41	-2.0	-136.00	361.72	8.55	-127.45
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCSCC1	REAL300013250173	1	36	-2.0	-125.28	307.06	5.99	-119.29
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250174	1	38	-2.0	-117.76	324.53	5.87	-111.89
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250175	1	44	-2.0	-122.81	365.96	9.93	-112.88
O=C([O-])CN(CCC(F)(F)F)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250176	1	34	-2.0	-115.76	319.53	7.38	-108.38
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1CCCCC1	REAL300013250177	1	41	-2.0	-129.63	333.58	6.34	-123.29
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=C(O)C=C1	REAL300013250178	1	36	-2.0	-130.03	326.75	3.45	-126.58
CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C(COC1CCC1)C(=O)[O-]	REAL300013250179	1	42	-2.0	-119.60	351.50	7.12	-112.48
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250180	1	42	-2.0	-134.37	355.23	10.48	-123.89
C=CCOCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250181	1	36	-2.0	-127.53	326.47	3.92	-123.61
O=C([O-])C1C(O)CCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250182	1	36	-2.0	-144.46	303.20	4.29	-140.17
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1CCOCC1	REAL300013250183	1	39	-2.0	-126.34	329.87	4.18	-122.16
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=C(F)C(F)=C1	REAL300013250184	1	35	-2.0	-121.53	328.09	6.38	-115.15
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=C(Cl)C(F)=C1	REAL300013250185	1	35	-2.0	-122.40	338.58	6.78	-115.62
COC1CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)C(C(=O)[O-])C1	REAL300013250186	1	39	-2.0	-138.90	324.94	6.56	-132.34
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1CCCOC1	REAL300013250187	1	39	-2.0	-124.63	323.74	4.03	-120.60
CC1CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)C(C(=O)[O-])C1	REAL300013250188	1	38	-2.0	-140.47	313.30	8.21	-132.26
CC1=CC(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])=CC=C1F	REAL300013250189	1	38	-2.0	-125.26	342.48	6.99	-118.27
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=C2OCCC2=C1	REAL300013250190	1	40	-2.0	-130.98	351.67	6.13	-124.85
CC1=CC(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])=CC(C)=C1	REAL300013250191	1	41	-2.0	-134.93	358.20	7.58	-127.35
CC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1C	REAL300013250192	1	41	-2.0	-134.79	354.20	7.50	-127.29
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1O	REAL300013250193	1	40	-2.0	-129.99	355.66	3.38	-126.61
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1Cl	REAL300013250194	1	39	-2.0	-128.09	360.91	6.12	-121.97
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=C(Cl)C=C1	REAL300013250195	1	35	-2.0	-125.35	332.47	6.82	-118.53
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250196	1	33	-2.0	-131.93	292.53	7.59	-124.34
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCCCC1	REAL300013250197	1	38	-2.0	-132.28	309.36	6.31	-125.97
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCCCCC1	REAL300013250198	1	41	-2.0	-132.82	315.06	6.97	-125.85
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250199	1	38	-2.0	-126.60	338.22	7.15	-119.45
O=C([O-])CN(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250200	1	38	-2.0	-124.65	338.89	9.24	-115.41
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1	REAL300013250201	1	35	-2.0	-132.76	316.05	6.22	-126.54
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1	REAL300013250202	1	35	-2.0	-132.67	315.76	6.29	-126.38
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250203	1	38	-2.0	-126.60	338.22	7.15	-119.45
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250204	1	39	-2.0	-141.79	330.48	9.67	-132.12
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CS1	REAL300013250205	1	32	-2.0	-129.30	307.00	5.33	-123.97
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCCCC1	REAL300013250206	1	38	-2.0	-132.28	309.36	6.31	-125.97
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250207	1	38	-2.0	-113.94	349.57	9.47	-104.47
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250208	1	42	-2.0	-132.28	367.32	7.23	-125.05
COC1=CC(CN(CC(=O)[O-])C(=O)[N-]C2=NC3=C(CCC3)S2)=CC(OC)=C1	REAL300013250209	1	46	-2.0	-128.97	397.81	7.85	-121.12
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=C(Br)C=C1	REAL300013250210	1	35	-2.0	-125.33	337.04	6.92	-118.41
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250211	1	38	-2.0	-113.54	339.26	9.02	-104.52
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CC2=CC=CC=C2C1	REAL300013250212	1	39	-2.0	-136.25	333.96	7.36	-128.89
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC(F)=CC=C1F	REAL300013250213	1	35	-2.0	-131.34	326.87	6.37	-124.97
CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013250214	1	38	-2.0	-134.54	324.11	6.97	-127.57
CCCCCCC(C)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250215	1	46	-2.0	-128.75	369.98	7.56	-121.19
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250216	1	39	-2.0	-125.93	360.96	7.10	-118.83
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=C(Cl)C=C1	REAL300013250217	1	35	-2.0	-125.35	332.47	6.82	-118.53
CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013250218	1	41	-2.0	-131.51	320.77	8.03	-123.48
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250219	1	41	-2.0	-124.73	361.30	10.02	-114.71
CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013250220	1	38	-2.0	-124.79	325.71	8.14	-116.65
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCC2=CC=CC=C21	REAL300013250221	1	39	-2.0	-140.76	330.91	7.27	-133.49
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250222	1	42	-2.0	-132.75	371.93	7.16	-125.59
O=C([O-])C1CCCCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250223	1	38	-2.0	-138.73	307.31	8.35	-130.38
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC(O)=C1	REAL300013250224	1	36	-2.0	-132.46	326.40	3.39	-129.07
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250225	1	41	-2.0	-124.73	361.30	10.02	-114.71
CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1(C(=O)[O-])CCCCC1	REAL300013250226	1	41	-2.0	-131.51	320.77	8.03	-123.48
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CCCC1	REAL300013250227	1	38	-2.0	-121.98	316.23	7.81	-114.17
CCCCCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250228	1	40	-2.0	-124.61	343.51	6.50	-118.11
CCC1CCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])CC1	REAL300013250229	1	44	-2.0	-132.71	348.43	7.57	-125.14
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CCOCC1	REAL300013250230	1	39	-2.0	-122.17	324.67	6.14	-116.03
CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1(C(=O)[O-])CCCC1	REAL300013250231	1	38	-2.0	-136.22	308.75	7.39	-128.83
CCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CC1	REAL300013250232	1	38	-2.0	-119.23	314.70	8.15	-111.08
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1Cl	REAL300013250233	1	35	-2.0	-132.92	327.98	6.64	-126.28
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1F	REAL300013250234	1	35	-2.0	-137.33	320.42	6.31	-131.02
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250235	1	39	-2.0	-131.87	332.92	9.02	-122.85
CC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])=C1C	REAL300013250236	1	41	-2.0	-133.99	346.01	7.24	-126.75
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1F	REAL300013250237	1	39	-2.0	-128.32	351.71	5.59	-122.73
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250238	1	41	-2.0	-112.78	371.59	9.96	-102.82
COCC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CC1	REAL300013250239	1	39	-2.0	-116.97	327.46	7.54	-109.43
CC(C(=O)[O-])N(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CCC1	REAL300013250240	1	38	-2.0	-114.00	313.83	7.33	-106.67
CCCN(C(=O)[N-]C1=NC2=C(CCC2)S1)C(COC)C(=O)[O-]	REAL300013250241	1	41	-2.0	-128.87	343.96	7.85	-121.02
CCCN(C(=O)[N-]C1=NC2=C(CCC2)S1)C(CC)C(=O)[O-]	REAL300013250242	1	40	-2.0	-125.69	328.78	8.94	-116.75
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCOCC1	REAL300013250243	1	36	-2.0	-127.48	300.79	3.81	-123.67
COC1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1	REAL300013250244	1	39	-2.0	-129.98	345.23	5.60	-124.38
CCC(COC)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250245	1	38	-2.0	-131.97	318.91	4.66	-127.31
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCS(=O)(=O)CC1	REAL300013250246	1	38	-2.0	-126.14	325.90	2.29	-123.85
O=C([O-])C(CC(F)F)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250247	1	31	-2.0	-118.56	291.36	4.45	-114.11
CCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013250248	1	41	-2.0	-129.19	357.51	8.37	-120.82
CCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013250249	1	41	-2.0	-135.92	340.82	7.85	-128.07
COC1CCCC(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C1	REAL300013250250	1	45	-2.0	-130.70	370.97	5.60	-125.10
COC1(CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])CCC1	REAL300013250251	1	42	-2.0	-129.70	349.81	5.48	-124.22
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[N-]C2=NC3=C(CCC3)S2)=C1	REAL300013250252	1	42	-2.0	-130.03	358.47	7.70	-122.33
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CCOCC1	REAL300013250253	1	39	-2.0	-122.17	324.67	6.14	-116.03
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CCCCC1	REAL300013250254	1	41	-2.0	-123.61	333.62	8.52	-115.09
C[C@H]1CC[C@@](NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])CC1	REAL300013250255	1	41	-2.0	-133.12	323.17	6.69	-126.43
COC1=CC=CC(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])=C1	REAL300013250256	1	39	-2.0	-134.54	345.48	5.50	-129.04
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1Br	REAL300013250257	1	35	-2.0	-131.90	331.12	6.71	-125.19
CC(CCF)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250258	1	34	-2.0	-121.66	290.58	4.61	-117.05
O=C([O-])C1C2=C(CCN1C(=O)[N-]C1=NC3=C(CCC3)S1)OC=C2	REAL300013250259	1	36	-2.0	-127.84	315.59	7.15	-120.69
COC1=CC=CC([C@H](NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])=C1	REAL300013250260	1	39	-2.0	-134.54	345.49	5.49	-129.05
COC(=O)C1CCC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013250261	1	41	-2.0	-134.62	347.20	8.17	-126.45
COC1=CC=CC(CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])=C1	REAL300013250262	1	42	-2.0	-129.19	367.73	6.47	-122.72
CC1(C)CCCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])C1	REAL300013250263	1	44	-2.0	-134.37	337.28	7.19	-127.18
CC(CC1=CC=C(Cl)C=C1)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250264	1	41	-2.0	-126.01	358.14	7.82	-118.19
CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013250265	1	40	-2.0	-133.04	352.34	7.63	-125.41
COC1CN(C(=O)[N-]C2=NC3=C(CCC3)S2)C(C)(C(=O)[O-])C1	REAL300013250266	1	39	-2.0	-131.75	330.76	5.67	-126.08
O=C([O-])C(CC1CCCOC1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250267	1	42	-2.0	-126.99	346.18	5.68	-121.31
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250268	1	32	-2.0	-121.61	309.12	5.19	-116.42
O=C([O-])C12CCC(CC1)N2C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250269	1	36	-2.0	-137.39	300.34	7.47	-129.92
CC(CC1=CC=C(F)C=C1)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250270	1	41	-2.0	-125.76	347.82	7.37	-118.39
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250271	1	32	-2.0	-115.17	291.35	5.87	-109.30
O=C([O-])C(CC1CCOCC1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250272	1	42	-2.0	-124.00	346.86	5.69	-118.31
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1CCOCC1	REAL300013250273	1	39	-2.0	-126.34	329.87	4.18	-122.16
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1	REAL300013250274	1	35	-2.0	-132.67	315.76	6.29	-126.38
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300013250275	1	38	-2.0	-127.51	354.72	7.21	-120.30
O=C([O-])C(CC1=CN=CS1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250276	1	34	-2.0	-123.79	323.99	4.34	-119.45
CC(C)CCCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250277	1	43	-2.0	-125.20	361.91	6.98	-118.22
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250278	1	41	-2.0	-129.89	367.61	7.68	-122.21
O=C([O-])C(CC1CCCO1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250279	1	39	-2.0	-132.08	335.80	4.58	-127.50
CSCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250280	1	32	-2.0	-124.52	303.32	4.55	-119.97
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250281	1	38	-2.0	-121.97	344.69	7.23	-114.74
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250282	1	40	-2.0	-127.01	336.78	6.14	-120.87
C=CCCCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250283	1	38	-2.0	-124.54	335.66	6.24	-118.30
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250284	1	38	-2.0	-122.00	344.63	7.23	-114.77
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC2=CC=CC=C21	REAL300013250285	1	41	-2.0	-126.27	356.25	8.63	-117.64
O=C([O-])C1CSCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250286	1	33	-2.0	-131.93	292.53	7.59	-124.34
CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013250287	1	38	-2.0	-134.54	324.11	6.97	-127.57
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250288	1	36	-2.0	-140.36	303.25	7.86	-132.50
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250289	1	40	-2.0	-124.88	337.72	7.72	-117.16
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250290	1	36	-2.0	-133.79	305.19	7.09	-126.70
O=C([O-])[C@H](NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1	REAL300013250291	1	35	-2.0	-132.76	316.05	6.22	-126.54
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=C(C(F)(F)F)C=C1	REAL300013250292	1	38	-2.0	-123.47	354.75	7.22	-116.25
CCC(C)CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250294	1	40	-2.0	-127.01	336.78	6.14	-120.87
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250295	1	41	-2.0	-126.87	351.10	10.37	-116.50
CC(C)=CCC(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250296	1	38	-2.0	-125.66	331.56	6.05	-119.61
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250297	1	37	-2.0	-123.33	333.40	5.39	-117.94
CC(C)OCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250298	1	41	-2.0	-118.49	344.30	6.52	-111.97
CC(C)CC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250299	1	40	-2.0	-117.20	330.21	7.91	-109.29
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=N1	REAL300013250300	1	34	-2.0	-135.46	312.15	4.70	-130.76
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250301	1	41	-2.0	-135.49	335.05	8.52	-126.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250302	1	41	-2.0	-121.08	344.09	9.28	-111.80
O=C([O-])C(CC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250304	1	37	-2.0	-123.33	333.40	5.39	-117.94
O=C([O-])C(NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CN=C1	REAL300013250305	1	34	-2.0	-128.68	310.91	4.43	-124.25
COCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250306	1	39	-2.0	-133.42	326.46	6.93	-126.49
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250307	0	39	-2.0	-136.99	334.36	10.14	-126.85
C[C@H]1CC2=CC=CC=C2N(C(=O)[N-]C2=NC3=C(CCC3)S2)[C@H]1C(=O)[O-]	REAL300013250308	0	42	-2.0	-123.53	343.04	9.07	-114.46
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250309	1	40	-2.0	-124.00	356.14	6.17	-117.83
O=C([O-])C(CC1=NC=CS1)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250310	1	34	-2.0	-125.71	324.56	4.21	-121.50
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013250311	1	35	-2.0	-117.70	344.31	5.96	-111.74
CN1CC(C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1=O	REAL300013250312	1	36	-2.0	-127.92	308.82	5.53	-122.39
O=C([O-])[C@@H](NC(=O)[N-]C1=NC2=C(CCC2)S1)C1=CC=CC=C1	REAL300013250313	1	35	-2.0	-132.51	315.37	6.24	-126.27
CC(CN1C=CC=N1)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250314	1	38	-2.0	-130.24	325.46	5.50	-124.74
O=C([O-])CN(C(=O)[N-]C1=NC2=C(CCC2)S1)C1CCCC1	REAL300013250315	1	38	-2.0	-121.98	316.23	7.81	-114.17
O=C([O-])C1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CC(CO)C1	REAL300013250316	1	36	-2.0	-137.18	311.40	1.98	-135.20
CCN(C(=O)[N-]C1=NC2=C(CCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013250317	1	44	-2.0	-132.12	363.70	10.34	-121.78
C[C@@H](OC(C)(C)C)[C@H](NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250318	1	44	-2.0	-130.60	360.30	5.32	-125.28
CC1CCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])C1	REAL300013250319	1	38	-2.0	-132.70	315.91	5.83	-126.87
CC1(C)CCCC1(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250320	1	41	-2.0	-135.53	325.39	6.58	-128.95
CC1(C)CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])C1	REAL300013250321	1	38	-2.0	-133.80	317.42	6.51	-127.29
CC1CCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)(C(=O)[O-])C2=CC=CC=C21	REAL300013250322	1	45	-2.0	-142.23	364.87	8.54	-133.69
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CC(C)C1=CC=C(C(NC(=O)[N-]C2=NC3=C(CCC3)S2)C(=O)[O-])C=C1	REAL300013250372	1	44	-2.0	-132.49	376.01	8.22	-124.27
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CC(COC1=CC=CC=C1)(NC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013250378	1	42	-2.0	-133.42	358.44	7.21	-126.21
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CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300013251281	1	43	-2.0	-116.92	384.27	7.56	-109.36
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300013251282	1	49	-2.0	-120.50	413.39	9.23	-111.27
CCC(C)C1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013251283	1	49	-2.0	-116.51	390.85	7.45	-109.06
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013251284	1	46	-2.0	-117.46	382.59	9.99	-107.47
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300013251285	1	43	-2.0	-121.46	368.66	7.05	-114.41
CCC(C)C1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013251286	1	36	-2.0	-107.92	327.28	4.91	-103.01
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300013251287	1	46	-2.0	-124.31	393.23	8.64	-115.67
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300013251288	1	41	-2.0	-114.08	338.56	6.02	-108.06
CCC(C)C1=CSC([N-]C(=O)NC(C)(COC)C(=O)[O-])=N1	REAL300013251289	1	40	-2.0	-118.60	333.74	3.79	-114.81
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)CC)=CS1	REAL300013251290	1	43	-2.0	-108.85	356.46	5.91	-102.94
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013251291	1	42	-2.0	-114.30	347.31	7.39	-106.91
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C(CC)C2=CC=CC=C2)=N1	REAL300013251292	1	49	-2.0	-117.59	397.50	10.02	-107.57
CCC(C)C1=CSC([N-]C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300013251293	1	39	-2.0	-109.04	351.03	7.47	-101.57
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300013251294	1	38	-2.0	-114.78	317.00	2.65	-112.13
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013251295	1	46	-2.0	-117.88	364.42	6.51	-111.37
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013251296	1	41	-2.0	-118.26	358.55	3.44	-114.82
CCC(C)C1=CSC([N-]C(=O)N(C)C(COC2CCC2)C(=O)[O-])=N1	REAL300013251297	1	47	-2.0	-110.33	383.62	7.31	-103.02
CCC(C)C1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=N1	REAL300013251298	1	47	-2.0	-130.33	386.76	10.58	-119.75
C=CCOCC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251299	1	41	-2.0	-117.34	357.96	4.01	-113.33
CCC(C)C1=CSC([N-]C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300013251300	1	41	-2.0	-131.20	331.72	5.02	-126.18
C=CC(C)C(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251301	1	40	-2.0	-113.14	342.88	5.36	-107.78
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013251302	1	44	-2.0	-117.46	355.85	4.02	-113.44
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300013251303	1	40	-2.0	-111.26	360.00	6.50	-104.76
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300013251304	1	40	-2.0	-111.89	369.89	6.95	-104.94
CCC(C)C1=CSC([N-]C(=O)N2CCC(OC)CC2C(=O)[O-])=N1	REAL300013251305	1	44	-2.0	-125.55	356.45	6.57	-118.98
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCOC2)=N1	REAL300013251306	1	44	-2.0	-113.70	355.24	4.12	-109.58
CCC(C)C1=CSC([N-]C(=O)N2CCC(C)CC2C(=O)[O-])=N1	REAL300013251307	1	43	-2.0	-127.19	338.15	7.95	-119.24
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=N1	REAL300013251308	1	43	-2.0	-114.34	373.99	7.08	-107.26
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=N1	REAL300013251309	1	45	-2.0	-119.74	383.42	6.14	-113.60
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300013251310	1	46	-2.0	-123.16	389.71	7.67	-115.49
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=N1	REAL300013251311	1	46	-2.0	-123.26	385.96	7.51	-115.75
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)=N1	REAL300013251312	1	45	-2.0	-118.60	387.16	3.46	-115.14
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)=N1	REAL300013251313	1	44	-2.0	-117.48	392.81	6.24	-111.24
CCC(C)C1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013251314	1	40	-2.0	-126.10	323.80	7.62	-118.48
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013251315	1	40	-2.0	-114.29	364.26	6.81	-107.48
CCC(C)C1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013251316	1	38	-2.0	-118.44	324.03	7.60	-110.84
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013251317	1	43	-2.0	-120.53	340.87	6.35	-114.18
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013251318	1	40	-2.0	-120.02	326.36	5.24	-114.78
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300013251319	1	46	-2.0	-121.31	346.53	7.00	-114.31
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013251320	1	43	-2.0	-115.38	369.72	7.23	-108.15
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013251321	1	43	-2.0	-117.15	370.39	9.34	-107.81
CCC(C)C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013251322	1	40	-2.0	-121.21	347.53	6.29	-114.92
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013251323	1	40	-2.0	-121.15	347.48	6.30	-114.85
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013251324	1	43	-2.0	-115.38	369.72	7.23	-108.15
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)CC)=N1	REAL300013251325	1	42	-2.0	-115.40	341.29	5.26	-110.14
CCC(C)C1=CSC([N-]C(=O)N2CCCCC2C(=O)[O-])=N1	REAL300013251326	1	40	-2.0	-126.10	323.80	7.62	-118.48
CCCC(C)(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251327	1	42	-2.0	-116.44	336.99	5.27	-111.17
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N1	REAL300013251328	1	42	-2.0	-114.30	347.31	7.39	-106.91
CCC(C)C1=CSC([N-]C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300013251329	1	44	-2.0	-128.08	362.39	9.80	-118.28
CCC(C)C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2CC2)=N1	REAL300013251330	1	40	-2.0	-118.18	325.59	5.21	-112.97
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CS2)=N1	REAL300013251331	1	37	-2.0	-118.14	339.15	5.38	-112.76
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCCC2)=N1	REAL300013251332	1	43	-2.0	-120.53	340.87	6.35	-114.18
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=N1	REAL300013251333	1	43	-2.0	-112.01	387.13	9.86	-102.15
CCC(C)C1=CSC([N-]C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013251334	1	47	-2.0	-121.28	398.78	7.31	-113.97
CCC(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=N1	REAL300013251335	1	42	-2.0	-115.34	341.87	5.24	-110.10
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300013251336	1	40	-2.0	-120.02	326.36	5.24	-114.78
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=N1	REAL300013251337	1	43	-2.0	-111.60	376.80	9.41	-102.19
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013251338	1	44	-2.0	-123.89	365.47	7.39	-116.50
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300013251339	1	40	-2.0	-119.67	358.13	6.51	-113.16
CCC(C)C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013251340	1	43	-2.0	-122.71	355.61	7.01	-115.70
CCCCCCC(C)(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251341	1	51	-2.0	-117.39	401.48	7.60	-109.79
CCC(C)C1=CSC([N-]C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013251342	1	38	-2.0	-121.87	323.22	2.81	-119.06
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC(Cl)=CC=C2O)=N1	REAL300013251343	1	44	-2.0	-118.75	392.46	7.20	-111.55
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013251344	1	40	-2.0	-114.29	364.26	6.81	-107.48
CCC(C)C1=CSC([N-]C(=O)N2CCOCC2C(=O)[O-])=N1	REAL300013251345	1	38	-2.0	-119.85	315.12	5.19	-114.66
CCC(C)C1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013251346	1	46	-2.0	-120.23	352.27	8.10	-112.13
CCC(C)C1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013251347	1	46	-2.0	-117.09	392.80	10.12	-106.97
CCC(C)C1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013251348	1	43	-2.0	-115.08	356.49	8.18	-106.90
CCC(C)C1=CSC([N-]C(=O)N(CCOC)CC(=O)[O-])=N1	REAL300013251349	1	40	-2.0	-115.50	342.77	5.51	-109.99
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=N1	REAL300013251350	1	44	-2.0	-127.74	362.20	7.27	-120.47
CCC(C)C1=CSC([N-]C(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013251351	1	40	-2.0	-126.19	323.90	7.64	-118.55
CCC(C)C1=CSC([N-]C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300013251352	1	38	-2.0	-119.76	323.20	2.83	-116.93
CCC(C)C1=CSC([N-]C(=O)N2CCCC2(C)C(=O)[O-])=N1	REAL300013251353	1	40	-2.0	-121.01	329.11	6.75	-114.26
CCC(C)C1=CSC([N-]C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013251354	1	47	-2.0	-121.07	403.44	7.24	-113.83
CCC(C)C1=CSC([N-]C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300013251355	1	43	-2.0	-125.65	338.97	8.23	-117.42
CCCCC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251356	1	42	-2.0	-113.71	354.35	5.77	-107.94
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(O)=C2)=N1	REAL300013251357	1	41	-2.0	-120.18	358.31	3.51	-116.67
CCC(C)C1=CSC([N-]C(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300013251358	1	46	-2.0	-117.09	392.80	10.12	-106.97
CCC(C)C1=CSC([N-]C(=O)N2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300013251359	1	40	-2.0	-120.98	329.02	6.75	-114.23
CCC(C)C1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCCC2)=N1	REAL300013251360	1	46	-2.0	-120.23	352.27	8.10	-112.13
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013251361	1	43	-2.0	-115.66	348.72	7.98	-107.68
CCC(C)C1=CSC([N-]C(=O)NC(COC)C(=O)[O-])=N1	REAL300013251362	1	37	-2.0	-115.83	323.21	2.46	-113.37
CCCCCC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251363	1	45	-2.0	-113.73	375.61	6.61	-107.12
CCC(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013251364	1	42	-2.0	-115.87	342.15	5.34	-110.53
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(CC)CC2)=N1	REAL300013251365	1	49	-2.0	-121.08	379.94	7.60	-113.48
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013251366	1	44	-2.0	-115.43	356.19	6.23	-109.20
CCC(C)C1=CSC([N-]C(=O)N(C)C2(C(=O)[O-])CCCC2)=N1	REAL300013251367	1	43	-2.0	-124.46	340.26	7.42	-117.04
CCC(C)C1=CSC([N-]C(=O)N(C(C)C(=O)[O-])C2CC2)=N1	REAL300013251368	1	40	-2.0	-104.59	329.12	8.03	-96.56
CCC(C)C1=CSC([N-]C(=O)N(C(CC)C(=O)[O-])C2CC2)=N1	REAL300013251369	1	43	-2.0	-109.17	345.91	8.08	-101.09
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=N1	REAL300013251370	1	40	-2.0	-121.36	359.49	6.73	-114.63
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=N1	REAL300013251371	1	40	-2.0	-125.25	351.92	6.39	-118.86
CCC(C)C1=CSC([N-]C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013251372	1	44	-2.0	-120.49	364.51	9.11	-111.38
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=N1	REAL300013251373	1	46	-2.0	-122.68	380.30	7.42	-115.26
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=N1	REAL300013251374	1	44	-2.0	-117.73	383.26	5.67	-112.06
CCC(C)C1=CSC([N-]C(=O)N(C(COC)C(=O)[O-])C2CC2)=N1	REAL300013251375	1	44	-2.0	-106.72	358.76	7.47	-99.25
CCC(C)C1=CSC([N-]C(=O)N(C(C)C(=O)[O-])C2CCC2)=N1	REAL300013251376	1	43	-2.0	-120.43	344.14	8.59	-111.84
CCCN(C(=O)[N-]C1=NC(C(C)CC)=CS1)C(COC)C(=O)[O-]	REAL300013251377	1	46	-2.0	-111.69	371.62	6.74	-104.95
CCCN(C(=O)[N-]C1=NC(C(C)CC)=CS1)C(CC)C(=O)[O-]	REAL300013251378	1	45	-2.0	-108.94	359.12	8.04	-100.90
CCC(C)C1=CSC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013251379	1	42	-2.0	-114.67	349.81	5.59	-109.08
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300013251380	1	41	-2.0	-116.40	332.30	3.85	-112.55
C=CCCC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251381	1	40	-2.0	-113.42	345.66	5.55	-107.87
CCC(C)C1=CSC([N-]C(=O)NC(CC)(CC)C(=O)[O-])=N1	REAL300013251382	1	42	-2.0	-117.56	332.17	5.40	-112.16
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)=N1	REAL300013251383	1	44	-2.0	-118.75	376.79	5.68	-113.07
CCC(C)C1=CSC([N-]C(=O)NC(CC)(COC)C(=O)[O-])=N1	REAL300013251384	1	43	-2.0	-120.27	350.40	4.70	-115.57
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)=N1	REAL300013251385	1	43	-2.0	-115.45	357.33	2.34	-113.11
CCC(C)C1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013251386	1	40	-2.0	-114.40	342.96	5.78	-108.62
CCC(C)C1=CSC([N-]C(=O)NC(CCOC)C(=O)[O-])=N1	REAL300013251387	1	40	-2.0	-111.64	345.02	3.28	-108.36
CCC(C)C1=CSC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300013251388	1	36	-2.0	-109.02	321.97	4.74	-104.28
CCC(C)C1=CSC([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300013251389	1	46	-2.0	-117.89	388.94	8.38	-109.51
CCC(C)C1=CSC([N-]C(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013251390	1	46	-2.0	-124.17	372.21	7.85	-116.32
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)=N1	REAL300013251391	1	50	-2.0	-120.28	396.88	5.51	-114.77
CCC(C)C1=CSC([N-]C(=O)NC(CCF)C(=O)[O-])=N1	REAL300013251392	1	36	-2.0	-108.50	317.94	4.36	-104.14
CCC(C)C1=CSC([N-]C(=O)NC(CC2(OC)CCC2)C(=O)[O-])=N1	REAL300013251393	1	47	-2.0	-118.30	381.32	5.56	-112.74
CCC(C)C1=CSC([N-]C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300013251394	1	47	-2.0	-117.43	385.97	7.47	-109.96
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCOCC2)=N1	REAL300013251395	1	44	-2.0	-115.43	356.19	6.23	-109.20
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCCC2)=N1	REAL300013251396	1	46	-2.0	-117.05	365.13	8.60	-108.45
CCC(C)C1=CSC([N-]C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)=N1	REAL300013251397	1	46	-2.0	-121.23	354.67	6.73	-114.50
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300013251398	1	44	-2.0	-122.83	377.04	5.59	-117.24
CCC(C)C1=CSC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300013251399	1	39	-2.0	-110.78	322.08	4.65	-106.13
CCC(C)C1=CSC([N-]C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300013251400	1	41	-2.0	-116.68	347.10	7.24	-109.44
CCC(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300013251401	1	44	-2.0	-122.79	376.99	5.59	-117.20
CCC(C)C1=CSC([N-]C(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])=N1	REAL300013251402	1	46	-2.0	-121.59	378.66	8.17	-113.42
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])=N1	REAL300013251403	1	47	-2.0	-118.36	399.00	6.61	-111.75
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300013251404	1	49	-2.0	-122.53	368.79	7.22	-115.31
CCC(C)C1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300013251405	1	38	-2.0	-124.89	318.30	6.76	-118.13
CCC(C)C1=CSC([N-]C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=N1	REAL300013251406	1	46	-2.0	-114.74	389.65	7.86	-106.88
CCC(C)C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300013251407	1	45	-2.0	-122.51	383.82	7.68	-114.83
CCC(C)C1=CSC([N-]C(=O)N2CC(OC)CC2(C)C(=O)[O-])=N1	REAL300013251408	1	44	-2.0	-120.47	362.27	5.72	-114.75
CCC(C)C1=CSC([N-]C(=O)NC(CC2CCCOC2)C(=O)[O-])=N1	REAL300013251409	1	47	-2.0	-116.22	378.52	5.73	-110.49
CCC(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300013251410	1	42	-2.0	-115.87	342.15	5.34	-110.53
C=C(Cl)CC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251411	1	37	-2.0	-111.59	339.82	5.34	-106.25
C=C(C)CC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251412	1	40	-2.0	-113.11	342.68	5.60	-107.51
CCC(C)C1=CSC([N-]C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300013251413	1	41	-2.0	-124.71	331.85	7.49	-117.22
CCC(C)C1=CSC([N-]C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=N1	REAL300013251414	1	38	-2.0	-120.50	324.00	2.55	-117.95
CCC(C)C1=CSC([N-]C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013251415	1	46	-2.0	-114.60	379.33	7.41	-107.19
CCC(C)C1=CSC([N-]C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300013251416	1	37	-2.0	-110.89	324.92	6.35	-104.54
CCC(C)C1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013251417	1	37	-2.0	-116.04	318.43	6.30	-109.74
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)CC)=CS2)C1	REAL300013251418	1	38	-2.0	-122.08	325.17	6.65	-115.43
CCC(C)C1=CSC([N-]C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300013251419	1	47	-2.0	-114.37	382.81	5.04	-109.33
CCC(C)C1=CSC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013251420	1	42	-2.0	-114.67	349.81	5.59	-109.08
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300013251421	1	44	-2.0	-117.46	355.85	4.02	-113.44
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013251422	1	40	-2.0	-121.15	347.48	6.30	-114.85
CCC(C)C1=CSC([N-]C(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300013251423	1	40	-2.0	-114.40	342.96	5.78	-108.62
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CN=CS2)C(=O)[O-])=N1	REAL300013251424	1	39	-2.0	-113.31	355.50	4.43	-108.88
CCC(C)C1=CSC([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])=N1	REAL300013251425	1	48	-2.0	-114.16	393.42	7.06	-107.10
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300013251426	1	46	-2.0	-118.50	399.35	7.69	-110.81
CCC(C)C1=CSC([N-]C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300013251427	1	44	-2.0	-120.52	367.30	4.67	-115.85
CCC(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N1	REAL300013251428	1	37	-2.0	-112.54	318.11	1.33	-111.21
CCC(C)C1=CSC([N-]C(=O)NC(CSC)C(=O)[O-])=N1	REAL300013251429	1	37	-2.0	-113.71	335.05	4.57	-109.14
CCC(C)C1=CSC([N-]C(=O)N[C@@H](COC)C(=O)[O-])=N1	REAL300013251430	1	37	-2.0	-115.73	323.21	2.46	-113.27
CCC(C)C1=CSC([N-]C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013251431	1	43	-2.0	-111.33	375.90	7.37	-103.96
CCC(C)CC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251432	1	45	-2.0	-114.93	368.04	6.24	-108.69
C=CCCCC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251433	1	43	-2.0	-113.60	367.16	6.33	-107.27
CCC(C)C1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300013251434	1	43	-2.0	-111.24	375.90	7.37	-103.87
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=N1	REAL300013251435	1	46	-2.0	-116.90	388.80	8.70	-108.20
CCC(C)C1=CSC([N-]C(=O)N2CCSCC2C(=O)[O-])=N1	REAL300013251436	1	38	-2.0	-118.44	324.03	7.60	-110.84
CCC(C)C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013251437	1	43	-2.0	-122.71	355.61	7.01	-115.70
CCC(C)C1=CSC([N-]C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300013251438	1	41	-2.0	-127.10	334.66	7.85	-119.25
CCC(C)C1=CSC([N-]C(=O)N(CC)C(C)(C)C(=O)[O-])=N1	REAL300013251439	1	42	-2.0	-118.82	337.13	7.20	-111.62
CCCN(C(=O)[N-]C1=NC(C(C)CC)=CS1)C(C)C(=O)[O-]	REAL300013251440	1	42	-2.0	-108.41	342.62	7.20	-101.21
CCC(C)C1=CSC([N-]C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013251441	1	45	-2.0	-114.74	369.23	7.82	-106.92
CCC(C)C1=CSC([N-]C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=N1	REAL300013251442	1	41	-2.0	-128.43	335.43	7.31	-121.12
CCC(C)C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013251443	1	40	-2.0	-121.21	347.53	6.29	-114.92
CCC(C)CC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251446	1	45	-2.0	-114.93	368.04	6.24	-108.69
CCC(C)C1=CSC([N-]C(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])=N1	REAL300013251447	1	46	-2.0	-113.07	375.22	9.28	-103.79
CCC(C)C1=CSC([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])=N1	REAL300013251448	1	43	-2.0	-115.16	364.00	6.14	-109.02
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013251449	1	42	-2.0	-112.59	364.91	5.47	-107.12
CCC(C)C1=CSC([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])=N1	REAL300013251450	1	46	-2.0	-109.61	376.73	6.67	-102.94
CCC(C)C1=CSC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N1	REAL300013251451	1	45	-2.0	-107.14	362.29	7.90	-99.24
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CC=N2)=N1	REAL300013251452	1	39	-2.0	-124.08	343.66	4.79	-119.29
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC(C(C)CC)=CS1	REAL300013251453	1	46	-2.0	-123.78	366.50	8.67	-115.11
CCC(C)C1=CSC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013251454	1	46	-2.0	-113.04	375.16	9.30	-103.74
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013251457	1	42	-2.0	-112.59	364.91	5.47	-107.12
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300013251458	1	39	-2.0	-117.90	342.42	4.51	-113.39
CCC(C)C1=CSC([N-]C(=O)N2CCCC2(COC)C(=O)[O-])=N1	REAL300013251459	1	44	-2.0	-122.58	357.51	6.94	-115.64
CCC(C)C1=CSC([N-]C(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=N1	REAL300013251460	0	44	-2.0	-124.69	365.90	10.19	-114.50
CCC(C)C1=CSC([N-]C(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])=N1	REAL300013251461	0	47	-2.0	-119.64	376.63	9.68	-109.96
CCC(C)C1=CSC([N-]C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013251462	1	45	-2.0	-113.31	387.64	6.24	-107.07
C=CCCC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251463	1	40	-2.0	-113.42	345.66	5.55	-107.87
CCC(C)C1=CSC([N-]C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300013251464	1	39	-2.0	-114.69	356.07	4.30	-110.39
CCC(C)C1=CSC([N-]C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300013251465	1	40	-2.0	-107.38	375.82	6.05	-101.33
CC#CCC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251466	1	38	-2.0	-114.71	339.20	5.65	-109.06
CCC(C)C1=CSC([N-]C(=O)N2CC(=O)N(C)CC2C(=O)[O-])=N1	REAL300013251467	1	41	-2.0	-115.58	340.46	5.53	-110.05
CCC(C)C1=CSC([N-]C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300013251468	1	40	-2.0	-121.14	329.09	6.75	-114.39
CCC(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013251469	1	40	-2.0	-120.98	346.87	6.33	-114.65
CCC(C)C1=CSC([N-]C(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=N1	REAL300013251470	1	43	-2.0	-121.61	361.31	5.59	-116.02
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300013251471	1	43	-2.0	-115.66	348.72	7.98	-107.68
CCC(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=N1	REAL300013251472	1	42	-2.0	-115.34	341.87	5.24	-110.10
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(CO)C2)=N1	REAL300013251473	1	41	-2.0	-122.20	344.76	2.11	-120.09
CCC(C)C1=CSC([N-]C(=O)N(CC)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013251474	1	49	-2.0	-121.06	395.21	10.40	-110.66
CCC(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=N1	REAL300013251475	1	49	-2.0	-120.09	394.83	5.54	-114.55
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C2)=N1	REAL300013251476	1	43	-2.0	-121.23	346.40	5.84	-115.39
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC2(C)C)=N1	REAL300013251477	1	46	-2.0	-123.25	355.22	6.47	-116.78
CCC(C)C1=CSC([N-]C(=O)NC(CCOC)C(=O)[O-])=N1	REAL300013251478	1	40	-2.0	-111.64	345.02	3.28	-108.36
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300013251479	1	43	-2.0	-121.47	348.92	6.53	-114.94
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=N1	REAL300013251480	1	50	-2.0	-130.60	396.52	8.59	-122.01
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300013251481	1	40	-2.0	-116.66	340.14	5.31	-111.35
CCC(C)C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=N1	REAL300013251482	1	49	-2.0	-120.03	395.24	5.51	-114.52
CCC(C)C1=CSC([N-]C(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=N1	REAL300013251483	1	38	-2.0	-128.63	324.00	2.75	-125.88
CCC(C)C1=CSC([N-]C(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=N1	REAL300013251484	1	48	-2.0	-125.68	391.72	10.22	-115.46
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCOC2)=N1	REAL300013251485	1	41	-2.0	-110.65	341.44	3.26	-107.39
CCC(C)C1=CSC([N-]C(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=N1	REAL300013251486	1	41	-2.0	-124.73	334.34	7.34	-117.39
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=N1	REAL300013251487	1	44	-2.0	-126.95	379.20	6.44	-120.51
CCC(C)C1=CSC([N-]C(=O)N2CC3CC2(C(=O)[O-])CO3)=N1	REAL300013251488	1	39	-2.0	-120.33	325.80	4.97	-115.36
CCC(C)C1=CSC([N-]C(=O)N2CC(C)CCC2C(=O)[O-])=N1	REAL300013251489	1	43	-2.0	-126.79	344.80	8.14	-118.65
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=N1	REAL300013251490	1	46	-2.0	-117.25	377.16	7.30	-109.95
CCC(C)C1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013251491	1	47	-2.0	-116.38	384.19	7.37	-109.01
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013251492	1	40	-2.0	-115.73	336.23	5.28	-110.45
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=N1	REAL300013251493	1	53	-2.0	-119.43	404.77	6.92	-112.51
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCC2)=N1	REAL300013251494	1	46	-2.0	-117.88	364.42	6.51	-111.37
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300013251495	1	40	-2.0	-115.73	336.23	5.28	-110.45
CCC(C)C1=CSC([N-]C(=O)N2CCC(C)C2C(=O)[O-])=N1	REAL300013251496	1	40	-2.0	-124.10	334.66	6.45	-117.65
CCC(C)C1=CSC([N-]C(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300013251497	1	47	-2.0	-118.15	383.59	5.96	-112.19
CCC(C)C1=CSC([N-]C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=N1	REAL300013251498	1	47	-2.0	-131.52	363.56	8.42	-123.10
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=N1	REAL300013251499	1	47	-2.0	-117.47	361.41	5.15	-112.32
CCC(C)C1=CSC([N-]C(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])=N1	REAL300013251500	1	47	-2.0	-121.38	382.07	9.60	-111.78
CCC(C)C1=CSC([N-]C(=O)NC(CC2CC=CCC2)C(=O)[O-])=N1	REAL300013251501	1	47	-2.0	-116.38	384.19	7.37	-109.01
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013251502	1	43	-2.0	-112.98	376.20	7.30	-105.68
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(OC)C2)=N1	REAL300013251503	1	41	-2.0	-116.45	344.07	3.70	-112.75
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(F)(F)C2)=N1	REAL300013251504	1	37	-2.0	-113.52	320.91	4.86	-108.66
CCC(C)C1=CSC([N-]C(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)=N1	REAL300013251505	1	41	-2.0	-122.36	344.45	4.09	-118.27
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=N1	REAL300013251506	1	40	-2.0	-114.08	352.60	5.72	-108.36
CCC(C)C1=CSC([N-]C(=O)N2CCCC2(CC)C(=O)[O-])=N1	REAL300013251507	1	43	-2.0	-123.03	342.33	7.95	-115.08
CCC(C)C1=CSC([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300013251508	1	36	-2.0	-107.92	327.28	4.91	-103.01
CCC(C)C1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013251509	1	44	-2.0	-113.84	366.64	4.36	-109.48
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CS2)C(=O)[O-])=N1	REAL300013251510	1	40	-2.0	-113.79	361.65	6.29	-107.50
CCC(C)C1=CSC([N-]C(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013251511	1	47	-2.0	-124.01	388.30	6.18	-117.83
CCC(C)C1=CSC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N1	REAL300013251512	1	42	-2.0	-117.15	332.23	5.20	-111.95
CCC(C)C1=CSC([N-]C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013251513	1	38	-2.0	-125.64	319.27	7.35	-118.29
CCC(C)C1=CSC([N-]C(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013251514	1	41	-2.0	-125.20	335.06	6.86	-118.34
CCC(C)C1=CSC([N-]C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=N1	REAL300013251515	1	46	-2.0	-113.04	375.16	9.30	-103.74
CCC(C)C1=CSC([N-]C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013251516	1	49	-2.0	-116.51	390.85	7.45	-109.06
CCC(C)C1=CSC([N-]C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013251517	1	46	-2.0	-115.67	392.76	8.02	-107.65
CCC(C)C1=CSC([N-]C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013251518	1	46	-2.0	-115.75	392.76	8.01	-107.74
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300013251519	1	47	-2.0	-119.30	374.08	7.07	-112.23
CCC(C)C1=CSC([N-]C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013251520	1	49	-2.0	-116.79	391.71	7.43	-109.36
CCC(C)C1=CSC([N-]C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013251521	1	49	-2.0	-116.65	391.68	7.43	-109.22
CCC(C)C1=CSC([N-]C(=O)N2CC3(CCCC3)CC2C(=O)[O-])=N1	REAL300013251522	1	47	-2.0	-126.42	374.36	8.24	-118.18
CCC(C)C1=CSC([N-]C(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=N1	REAL300013251523	1	47	-2.0	-125.86	370.79	7.97	-117.89
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])=N1	REAL300013251524	1	47	-2.0	-115.48	398.39	6.57	-108.91
C=CCSCC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251525	1	41	-2.0	-114.37	369.32	6.02	-108.35
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=N1	REAL300013251526	1	44	-2.0	-110.54	390.58	7.63	-102.91
CCC(C)C1=CSC([N-]C(=O)N(CC)C(CC)C(=O)[O-])=N1	REAL300013251527	1	42	-2.0	-106.86	337.67	7.22	-99.64
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2(OC)CCC2)=N1	REAL300013251528	1	44	-2.0	-120.67	359.60	4.01	-116.66
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=N1	REAL300013251529	1	46	-2.0	-116.49	373.28	7.18	-109.31
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=N1	REAL300013251530	1	47	-2.0	-124.18	378.83	8.26	-115.92
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=N1	REAL300013251531	1	40	-2.0	-116.13	342.59	5.55	-110.58
CCC(C)C1=CSC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013251532	0	40	-2.0	-115.61	344.60	6.63	-108.98
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300013251532	1	39	-3.0	-193.32	339.99	5.31	-188.01
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300013251533	1	52	-2.0	-121.29	423.74	8.62	-112.67
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300013251534	1	49	-2.0	-121.03	407.49	8.31	-112.72
CCC(C)C1=CSC([N-]C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300013251535	1	37	-2.0	-116.04	318.43	6.30	-109.74
CCC(C)C1=CSC([N-]C(=O)N2C3C=CC(C3)C2C(=O)[O-])=N1	REAL300013251536	1	39	-2.0	-123.31	327.79	7.06	-116.25
CCC(C)C1=CSC([N-]C(=O)N2CCC(C)(C)C2C(=O)[O-])=N1	REAL300013251537	1	43	-2.0	-124.59	345.92	6.99	-117.60
CCOC1=CC=C(C(NC(=O)[N-]C2=NC(C(C)CC)=CS2)C(=O)[O-])C=C1	REAL300013251538	1	47	-2.0	-118.63	398.62	6.59	-112.04
CCC(C)C1=CSC([N-]C(=O)N2CC3(CCC3)CCC2C(=O)[O-])=N1	REAL300013251539	1	47	-2.0	-128.83	368.19	9.18	-119.65
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300013251540	1	47	-2.0	-117.76	387.97	8.20	-109.56
CCC(C)C1=CSC([N-]C(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013251541	1	47	-2.0	-121.87	389.94	7.25	-114.62
CCC(C)C1=CSC([N-]C(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=N1	REAL300013251542	1	43	-2.0	-113.76	383.50	7.29	-106.47
CCC(C)C1=CSC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N1	REAL300013251543	1	45	-2.0	-114.12	371.67	6.35	-107.77
CCC(C)C1=CSC([N-]C(=O)N2CC3(CCC3)CC2C(=O)[O-])=N1	REAL300013251544	1	44	-2.0	-127.84	361.60	7.77	-120.07
CCC(C)C1=CSC([N-]C(=O)NC(CC2CCOC2)C(=O)[O-])=N1	REAL300013251545	1	44	-2.0	-113.84	366.64	4.36	-109.48
CCC(C)C1=CSC([N-]C(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])=N1	REAL300013251546	1	41	-2.0	-117.51	355.25	7.36	-110.15
CCC(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N1	REAL300013251547	1	37	-2.0	-108.88	315.31	0.76	-108.12
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCCC3CC32)=N1	REAL300013251548	1	44	-2.0	-121.88	349.19	6.71	-115.17
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CCC3CC32)=N1	REAL300013251549	1	41	-2.0	-121.34	334.99	5.85	-115.49
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300013251550	1	44	-2.0	-121.35	355.10	6.45	-114.90
CCC(C)C1=CSC([N-]C(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=N1	REAL300013251551	1	50	-2.0	-128.07	388.46	8.72	-119.35
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCC2)=N1	REAL300013251552	1	43	-2.0	-116.99	347.56	5.75	-111.24
CCC(C)C1=CSC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N1	REAL300013251553	1	40	-2.0	-116.44	340.86	3.46	-112.98
CCC(C)C1=CSC([N-]C(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=N1	REAL300013251554	1	40	-2.0	-119.16	328.08	5.49	-113.67
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300013251555	1	43	-2.0	-117.15	370.39	9.34	-107.81
CCC(C)C1=CSC([N-]C(=O)N2CC(C)(C)CC2C(=O)[O-])=N1	REAL300013251556	1	43	-2.0	-126.58	353.01	7.04	-119.54
CCC(C)C1=CSC([N-]C(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=N1	REAL300013251557	1	44	-2.0	-118.34	373.09	9.54	-108.80
CCC(C)C1=CSC([N-]C(=O)N2CCC(F)(F)CC2C(=O)[O-])=N1	REAL300013251558	1	40	-2.0	-116.98	335.28	7.76	-109.22
CCC(C)C1=CSC([N-]C(=O)N2CCC(F)(F)C2C(=O)[O-])=N1	REAL300013251559	1	37	-2.0	-117.93	323.63	6.33	-111.60
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300013251560	1	43	-2.0	-112.98	376.20	7.30	-105.68
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013251561	1	40	-2.0	-113.44	360.62	6.18	-107.26
CCC(C)C1=CSC([N-]C(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=N1	REAL300013251562	1	40	-2.0	-115.08	341.54	6.96	-108.12
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=N1	REAL300013251563	1	44	-2.0	-119.68	374.30	6.88	-112.80
CCC(C)C1=CSC([N-]C(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=N1	REAL300013251564	1	48	-2.0	-121.09	399.20	8.59	-112.50
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CSC=C2)C(=O)[O-])=N1	REAL300013251565	1	40	-2.0	-113.44	360.62	6.18	-107.26
CCC(C)C1=CSC([N-]C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300013251566	1	44	-2.0	-126.24	350.25	7.60	-118.64
CCC(C)C1=CSC([N-]C(=O)N[C@@H](C(=O)[O-])C2=CC=C(O)C=C2)=N1	REAL300013251567	1	41	-2.0	-118.31	358.53	3.45	-114.86
CCC(C)C1=CSC([N-]C(=O)NC(CCCOC)C(=O)[O-])=N1	REAL300013251568	1	43	-2.0	-114.55	366.52	4.06	-110.49
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC(C(C)CC)=CS1	REAL300013251569	1	42	-2.0	-106.71	346.43	7.43	-99.28
CCOCC(NC(=O)[N-]C1=NC(C(C)CC)=CS1)C(=O)[O-]	REAL300013251570	1	40	-2.0	-116.59	345.06	3.43	-113.16
CCC(C)C1=CSC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N1	REAL300013251571	1	45	-2.0	-115.19	361.93	6.70	-108.49
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C2CCCCO2)=N1	REAL300013251572	1	44	-2.0	-119.52	360.09	4.38	-115.14
CCC(C)C1=CSC([N-]C(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N1	REAL300013251573	1	44	-2.0	-123.89	365.47	7.39	-116.50
CCC(C)C1=CSC([N-]C(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=N1	REAL300013251574	1	41	-2.0	-121.86	335.04	5.75	-116.11
CCC(C)C1=CSC([N-]C(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=N1	REAL300013251575	1	43	-2.0	-106.94	354.64	7.42	-99.52
CCC(C)C1=CSC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300013251576	1	37	-2.0	-107.85	331.96	4.79	-103.06
CCC(C)C1=CSC([N-]C(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=N1	REAL300013251577	1	54	-2.0	-123.27	402.29	8.34	-114.93
CCC(C)C1=CSC([N-]C(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=N1	REAL300013251578	1	46	-2.0	-118.15	395.08	7.59	-110.56
CCC(C)C1=CSC([N-]C(=O)N(CC(=O)[O-])CC2=CC=CO2)=N1	REAL300013251579	1	40	-2.0	-115.26	352.06	7.48	-107.78
CCC(C)C1=CSC([N-]C(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=N1	REAL300013251580	1	51	-2.0	-128.24	386.50	8.09	-120.15
CCC(C)C1=CSC([N-]C(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300013251581	1	42	-2.0	-111.83	381.52	5.86	-105.97
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC(C(C)CC)=CS2)C1	REAL300013251582	1	44	-2.0	-123.40	367.08	6.15	-117.25
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C	REAL300013251794	0	39	-2.0	-121.89	330.54	5.98	-115.91
O=C([O-])C1CC(NC(=O)NC2=C(Cl)C=CC3=NC=CC=C32)(C(=O)[O-])C1	REAL300013252117	0	37	-2.0	-122.97	341.29	7.41	-115.56
O=C([O-])C1CC(NC(=O)NC2=CC3=NSN=C3C=C2)(C(=O)[O-])C1	REAL300013252413	0	33	-2.0	-113.19	303.52	4.18	-109.01
C#CCN1C=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013252634	0	34	-2.0	-123.31	308.86	4.93	-118.38
CC1=CN=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C	REAL300013252846	0	37	-2.0	-124.78	314.36	6.77	-118.01
O=C([O-])C1CC(NC(=O)NC2=CN(C3CCCCC3)N=C2)(C(=O)[O-])C1	REAL300013253162	0	45	-2.0	-120.33	363.44	6.81	-113.52
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)S1	REAL300013253393	0	35	-2.0	-121.72	310.69	6.52	-115.20
CC(C)(C)C1=CN=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013253855	0	43	-2.0	-121.80	352.39	6.46	-115.34
O=C([O-])C1CC(NC(=O)NC2=CC(F)=CC3=C2OCCC3)(C(=O)[O-])C1	REAL300013254183	0	40	-2.0	-120.60	337.76	6.64	-113.96
CP(C)(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013254516	0	41	-2.0	-122.31	359.24	5.40	-116.91
CC1=CC(CC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)=CC(C)=N1	REAL300013254755	0	50	-2.0	-120.32	420.52	9.72	-110.60
CN1C=C(OC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)C=N1	REAL300013255043	0	43	-2.0	-120.45	371.95	6.37	-114.08
CN1N=CC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C21	REAL300013255335	0	38	-2.0	-127.02	330.43	5.93	-121.09
CC1=NN(CC(F)(F)F)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013255657	0	38	-2.0	-113.15	341.72	5.54	-107.61
O=C([O-])C1CC(NC(=O)NC2=CC=C3SCCCC3=C2)(C(=O)[O-])C1	REAL300013256098	0	40	-2.0	-124.81	343.78	8.14	-116.67
CC1(C)CCC(C)(C)C2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C21	REAL300013256360	0	54	-2.0	-124.38	410.52	10.09	-114.29
O=C([O-])C1CC(NC(=O)NC2=CC=C3C=NSC3=C2)(C(=O)[O-])C1	REAL300013256646	0	34	-2.0	-128.25	312.79	6.10	-122.15
CNC(=O)CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013256973	0	42	-2.0	-135.30	362.09	4.89	-130.41
CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300013257285	0	45	-2.0	-124.77	373.49	8.59	-116.18
CCOC1=CC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2C=C1	REAL300013257586	0	45	-2.0	-125.12	378.37	8.43	-116.69
C#CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300013257882	0	33	-2.0	-115.51	301.87	5.13	-110.38
O=C([O-])C1CC(NC(=O)NC2=CC=C(C(F)(F)CF)C=C2)(C(=O)[O-])C1	REAL300013258194	0	38	-2.0	-114.25	339.35	7.49	-106.76
CC1=C(C)C2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2N1	REAL300013258518	0	42	-2.0	-126.09	352.49	7.02	-119.07
C#CC1=CC=NC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013258739	0	33	-2.0	-122.51	302.94	6.74	-115.77
C#CC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300013258943	0	33	-2.0	-130.16	304.26	6.86	-123.30
O=C([O-])C1CC(NC(=O)NC2=CC(C3CCOC3)=CC=N2)(C(=O)[O-])C1	REAL300013259254	0	42	-2.0	-122.31	350.36	6.22	-116.09
CC(C)(C#N)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013259583	0	42	-2.0	-118.82	355.75	7.77	-111.05
COC(=O)C1=NC2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2S1	REAL300013259834	0	40	-2.0	-119.85	368.04	5.96	-113.89
O=C([O-])C1CC(NC(=O)NC2=CC3=C(C=C2Cl)OCCC3)(C(=O)[O-])C1	REAL300013260128	0	40	-2.0	-120.33	349.44	7.20	-113.13
COC1=NC2=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC=C2C=C1	REAL300013260448	0	41	-2.0	-122.67	354.28	4.82	-117.85
CC1=C(Br)C=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300013260725	0	38	-2.0	-121.41	334.58	7.90	-113.51
CC(=O)C1=CC=C(C)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013261013	0	40	-2.0	-139.32	339.73	7.18	-132.14
O=C([O-])C1CC(NC(=O)NC2=CC=NN2CCN2CCOCC2)(C(=O)[O-])C1	REAL300013261299	0	48	-2.0	-119.73	391.16	3.94	-115.79
O=C([O-])C1CC(NC(=O)NC2=CN(C3CCC(=O)NC3)N=C2)(C(=O)[O-])C1	REAL300013261608	0	43	-2.0	-122.46	359.74	2.82	-119.64
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S2	REAL300013261650	1	40	-2.0	-110.83	368.56	5.96	-104.87
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCSCC1)S2	REAL300013261651	1	45	-2.0	-117.77	380.81	7.05	-110.72
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C)(COC)C(=O)[O-])S2	REAL300013261652	1	44	-2.0	-121.80	375.85	4.80	-117.00
CCOCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1	REAL300013261653	1	47	-2.0	-111.22	397.64	6.86	-104.36
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S2	REAL300013261654	1	46	-2.0	-117.36	389.43	8.38	-108.98
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CC1)S2	REAL300013261655	1	41	-2.0	-116.18	358.92	7.70	-108.48
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCOC1)S2	REAL300013261656	1	42	-2.0	-119.16	359.25	3.65	-115.51
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)S2	REAL300013261657	1	50	-2.0	-120.63	407.22	7.44	-113.19
C=CCOCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261658	1	45	-2.0	-120.11	399.58	5.02	-115.09
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC(O)C1C(=O)[O-])S2	REAL300013261659	1	45	-2.0	-134.52	376.97	5.32	-129.20
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261660	1	44	-2.0	-118.14	379.68	6.11	-112.03
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)S2	REAL300013261661	1	48	-2.0	-119.49	397.39	5.10	-114.39
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(OC)CC1C(=O)[O-])S2	REAL300013261662	1	48	-2.0	-131.50	396.77	7.77	-123.73
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCOC1)S2	REAL300013261663	1	48	-2.0	-116.01	397.35	5.13	-110.88
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C)CC1C(=O)[O-])S2	REAL300013261664	1	47	-2.0	-131.02	380.28	9.01	-122.01
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S2	REAL300013261665	1	43	-2.0	-117.05	364.59	5.56	-111.49
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCCC1C(=O)[O-])S2	REAL300013261666	1	44	-2.0	-130.26	366.21	8.58	-121.68
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCSCC1C(=O)[O-])S2	REAL300013261667	1	42	-2.0	-122.43	366.28	8.62	-113.81
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCCC1)S2	REAL300013261668	1	47	-2.0	-124.93	383.12	7.37	-117.56
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC1C(=O)[O-])S2	REAL300013261669	1	41	-2.0	-125.65	354.21	7.22	-118.43
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC1)S2	REAL300013261670	1	44	-2.0	-123.49	368.61	6.26	-117.23
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCCCC1)S2	REAL300013261671	1	50	-2.0	-124.60	388.79	8.02	-116.58
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC(=O)[O-])S2	REAL300013261672	1	34	-2.0	-101.26	310.85	3.40	-97.86
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)S2	REAL300013261673	1	44	-2.0	-123.61	389.46	7.38	-116.23
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013261674	1	44	-2.0	-124.22	389.62	7.31	-116.91
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC)C(=O)[O-])S2	REAL300013261675	1	40	-2.0	-116.10	352.63	5.25	-110.85
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C(C)C)S2	REAL300013261676	1	43	-2.0	-117.05	364.59	5.56	-111.49
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)CC(=O)[O-])S2	REAL300013261677	1	37	-2.0	-112.65	331.70	6.35	-106.30
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CO)C(=O)[O-])S2	REAL300013261678	1	38	-2.0	-120.01	342.59	1.06	-118.95
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CO)C(=O)[O-])S2	REAL300013261679	1	38	-2.0	-120.01	342.59	1.06	-118.95
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C)C(=O)[O-])S2	REAL300013261680	1	37	-2.0	-102.57	331.64	4.22	-98.35
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C(C)CC)S2	REAL300013261681	1	46	-2.0	-117.58	385.66	6.40	-111.18
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)CC(=O)[O-])S2	REAL300013261682	1	37	-2.0	-112.65	331.70	6.35	-106.30
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCCC1C(=O)[O-])S2	REAL300013261683	1	44	-2.0	-130.26	366.21	8.58	-121.68
CCCC(C)(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261684	1	46	-2.0	-119.75	379.09	6.27	-113.48
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S2	REAL300013261685	1	43	-2.0	-114.48	363.73	7.67	-106.81
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CC1)S2	REAL300013261686	1	41	-2.0	-116.18	358.92	7.70	-108.48
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1	REAL300013261687	1	41	-2.0	-117.45	366.31	7.89	-109.56
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC(C)C)S2	REAL300013261688	1	46	-2.0	-117.36	389.43	8.38	-108.98
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C)(C)C(=O)[O-])S2	REAL300013261689	1	40	-2.0	-100.18	344.21	4.61	-95.57
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C)(C(=O)[O-])C1CC1)S2	REAL300013261690	1	44	-2.0	-120.80	370.34	6.34	-114.46
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CS1)S2	REAL300013261691	1	41	-2.0	-121.20	381.22	6.39	-114.81
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCCC1)S2	REAL300013261692	1	47	-2.0	-124.93	383.12	7.37	-117.56
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C(C)C)S2	REAL300013261693	1	43	-2.0	-114.48	363.73	7.67	-106.81
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1	REAL300013261694	1	43	-2.0	-117.34	374.99	8.09	-109.25
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC)CC(=O)[O-])S2	REAL300013261695	1	40	-2.0	-113.70	353.51	7.33	-106.37
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S2	REAL300013261696	1	38	-2.0	-120.07	342.65	1.06	-119.01
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)S2	REAL300013261697	1	46	-2.0	-118.68	384.71	6.20	-112.48
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C)C(=O)[O-])S2	REAL300013261698	1	37	-2.0	-102.57	331.64	4.22	-98.35
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC1)S2	REAL300013261699	1	44	-2.0	-123.49	368.61	6.26	-117.23
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C)(CC)C(=O)[O-])S2	REAL300013261700	1	43	-2.0	-118.86	357.60	5.52	-113.34
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@@H](C)C(=O)[O-])S2	REAL300013261701	1	37	-2.0	-102.79	331.95	4.17	-98.62
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC)CC(=O)[O-])S2	REAL300013261702	1	40	-2.0	-113.70	353.51	7.33	-106.37
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])S2	REAL300013261703	1	42	-2.0	-126.88	365.47	3.83	-123.05
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H](C)C(=O)[O-])S2	REAL300013261704	1	37	-2.0	-102.58	331.94	4.17	-98.41
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC1)S2	REAL300013261705	1	38	-2.0	-122.72	337.92	5.31	-117.41
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCOCC1C(=O)[O-])S2	REAL300013261706	1	42	-2.0	-123.86	357.37	6.21	-117.65
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)C1(C(=O)[O-])CCCCC1)S2	REAL300013261707	1	50	-2.0	-122.53	394.45	9.10	-113.43
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CC1)S2	REAL300013261708	1	41	-2.0	-118.51	363.20	5.78	-112.73
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CCOC)CC(=O)[O-])S2	REAL300013261709	1	44	-2.0	-118.65	384.88	6.51	-112.14
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])S2	REAL300013261710	1	41	-2.0	-124.83	354.83	6.96	-117.87
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC[C@@H]1C(=O)[O-])S2	REAL300013261711	1	44	-2.0	-130.17	366.13	8.63	-121.54
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])S2	REAL300013261712	1	42	-2.0	-124.65	365.46	3.83	-120.82
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S2	REAL300013261713	1	40	-2.0	-107.86	345.53	6.52	-101.34
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC[C@H]1C(=O)[O-])S2	REAL300013261714	1	41	-2.0	-123.99	354.79	6.97	-117.02
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC1)S2	REAL300013261715	1	41	-2.0	-122.13	354.65	5.83	-116.30
C=CCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261716	1	41	-2.0	-115.95	366.77	5.67	-110.28
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC1(C)C(=O)[O-])S2	REAL300013261717	1	44	-2.0	-123.29	371.20	7.75	-115.54
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCCCC1C(=O)[O-])S2	REAL300013261718	1	47	-2.0	-129.23	381.06	9.40	-119.83
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CC1)S2	REAL300013261719	1	41	-2.0	-118.51	363.20	5.78	-112.73
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)C(C)C(=O)[O-])S2	REAL300013261720	1	40	-2.0	-108.47	345.67	6.58	-101.89
CCCCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261721	1	46	-2.0	-116.83	396.45	6.77	-110.06
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC[C@@]1(C)C(=O)[O-])S2	REAL300013261722	1	44	-2.0	-123.46	371.20	7.74	-115.72
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)C1(C(=O)[O-])CCCCC1)S2	REAL300013261723	1	50	-2.0	-122.53	394.45	9.10	-113.43
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCCC1)S2	REAL300013261724	1	47	-2.0	-118.65	389.85	8.89	-109.76
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(COC)C(=O)[O-])S2	REAL300013261725	1	41	-2.0	-119.09	364.84	3.47	-115.62
CCCCCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261726	1	49	-2.0	-116.88	417.95	7.55	-109.33
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S2	REAL300013261727	1	46	-2.0	-119.04	384.24	6.34	-112.70
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)S2	REAL300013261728	1	48	-2.0	-118.40	398.30	7.23	-111.17
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)C1(C(=O)[O-])CCCC1)S2	REAL300013261729	1	47	-2.0	-126.37	381.18	8.15	-118.22
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C(C)C(=O)[O-])C1CC1)S2	REAL300013261730	1	44	-2.0	-110.31	364.68	7.56	-102.75
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C(CC)C(=O)[O-])C1CC1)S2	REAL300013261731	1	47	-2.0	-113.56	388.18	9.09	-104.47
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1	REAL300013261732	1	43	-2.0	-117.34	374.99	8.09	-109.25
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C(COC)C(=O)[O-])C1CC1)S2	REAL300013261733	1	48	-2.0	-111.01	401.00	8.49	-102.52
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C(C)C(=O)[O-])C1CCC1)S2	REAL300013261734	1	47	-2.0	-109.30	388.04	8.51	-100.79
CCCN(C(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(COC)C(=O)[O-]	REAL300013261735	1	50	-2.0	-121.18	417.83	8.89	-112.29
CCCN(C(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(CC)C(=O)[O-]	REAL300013261736	1	49	-2.0	-123.05	403.15	10.06	-112.99
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC(=O)[O-])S2	REAL300013261737	1	34	-2.0	-101.26	310.85	3.40	-97.86
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S2	REAL300013261738	1	46	-2.0	-117.81	391.92	6.59	-111.22
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCOCC1)S2	REAL300013261739	1	45	-2.0	-119.88	374.54	4.88	-115.00
C=CCCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261740	1	44	-2.0	-116.52	386.93	6.58	-109.94
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CF)C(=O)[O-])S2	REAL300013261741	1	37	-2.0	-101.77	335.09	4.25	-97.52
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC)(CC)C(=O)[O-])S2	REAL300013261742	1	46	-2.0	-120.83	374.27	6.41	-114.42
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC)(COC)C(=O)[O-])S2	REAL300013261743	1	47	-2.0	-123.60	392.51	5.71	-117.89
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC1CC1)C(=O)[O-])S2	REAL300013261744	1	44	-2.0	-117.54	385.07	6.78	-110.76
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CCOC)C(=O)[O-])S2	REAL300013261745	1	44	-2.0	-114.78	387.14	4.29	-110.49
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC(F)F)C(=O)[O-])S2	REAL300013261746	1	40	-2.0	-111.18	364.98	5.54	-105.64
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CCF)C(=O)[O-])S2	REAL300013261747	1	40	-2.0	-111.60	360.06	5.37	-106.23
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCOCC1)S2	REAL300013261748	1	48	-2.0	-118.40	398.30	7.23	-111.17
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCCCC1)S2	REAL300013261749	1	50	-2.0	-119.81	407.25	9.60	-110.21
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)S2	REAL300013261750	1	50	-2.0	-123.51	396.78	7.73	-115.78
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C)(CCF)C(=O)[O-])S2	REAL300013261751	1	43	-2.0	-112.99	364.19	5.65	-107.34
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S2	REAL300013261752	1	40	-2.0	-107.78	346.10	6.47	-101.31
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC3CC1(C(=O)[O-])C3)S2	REAL300013261753	1	42	-2.0	-128.85	360.55	7.77	-121.08
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC(OC)CC1(C)C(=O)[O-])S2	REAL300013261754	1	48	-2.0	-123.87	404.38	6.72	-117.15
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)S2	REAL300013261755	1	46	-2.0	-119.04	384.24	6.34	-112.70
C=C(Cl)CC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261756	1	41	-2.0	-113.88	382.72	6.28	-107.60
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261757	1	44	-2.0	-116.30	387.30	6.42	-109.88
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C3CCC1(C(=O)[O-])CC3)S2	REAL300013261758	1	45	-2.0	-127.43	373.96	8.49	-118.94
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])S2	REAL300013261759	1	42	-2.0	-123.48	366.10	3.57	-119.91
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])S2	REAL300013261760	1	41	-2.0	-113.40	367.03	7.37	-106.03
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])S2	REAL300013261761	1	41	-2.0	-120.43	360.69	7.32	-113.11
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CCC3C(=O)OCC)S2)C1	REAL300013261762	1	42	-2.0	-124.56	367.35	7.64	-116.92
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])S2	REAL300013261763	1	46	-2.0	-117.81	391.92	6.59	-111.22
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCOCC1)S2	REAL300013261764	1	48	-2.0	-119.49	397.39	5.10	-114.39
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013261765	1	44	-2.0	-124.22	389.62	7.31	-116.91
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC1CC1)C(=O)[O-])S2	REAL300013261766	1	44	-2.0	-117.54	385.07	6.78	-110.76
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CCCC(C)C)C(=O)[O-])S2	REAL300013261767	1	52	-2.0	-117.28	435.53	8.06	-109.22
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC1CCCO1)C(=O)[O-])S2	REAL300013261768	1	48	-2.0	-123.09	409.65	5.62	-117.47
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)S2	REAL300013261769	1	41	-2.0	-116.16	359.80	2.32	-113.84
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CSC)C(=O)[O-])S2	REAL300013261770	1	41	-2.0	-116.69	376.94	5.64	-111.05
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@@H](COC)C(=O)[O-])S2	REAL300013261771	1	41	-2.0	-118.92	365.32	3.47	-115.45
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@@H](CC)C(=O)[O-])S2	REAL300013261772	1	40	-2.0	-116.19	353.46	5.23	-110.96
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC(C)CC)C(=O)[O-])S2	REAL300013261773	1	49	-2.0	-118.71	409.63	7.25	-111.46
C=CCCCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261774	1	47	-2.0	-116.74	409.26	7.34	-109.40
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCSCC1C(=O)[O-])S2	REAL300013261775	1	42	-2.0	-122.43	366.28	8.62	-113.81
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])S2	REAL300013261776	1	41	-2.0	-124.83	354.83	6.96	-117.87
CCCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261777	1	43	-2.0	-116.61	374.95	5.99	-110.62
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)S2	REAL300013261778	1	43	-2.0	-116.98	370.50	5.79	-111.19
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])S2	REAL300013261779	1	45	-2.0	-131.25	376.35	8.87	-122.38
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC)C(C)(C)C(=O)[O-])S2	REAL300013261780	1	46	-2.0	-120.95	379.24	8.20	-112.75
CCCN(C(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(C)C(=O)[O-]	REAL300013261781	1	46	-2.0	-121.68	387.67	9.17	-112.51
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261782	1	43	-2.0	-115.84	374.71	6.06	-109.78
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])S2	REAL300013261783	1	45	-2.0	-133.54	377.66	8.31	-125.23
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)S2	REAL300013261784	1	44	-2.0	-123.61	389.46	7.38	-116.23
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)C(C)(C)C(=O)[O-])S2	REAL300013261785	1	43	-2.0	-119.78	360.75	7.34	-112.44
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC[C@H]1C(=O)[O-])S2	REAL300013261786	1	41	-2.0	-123.99	354.79	6.97	-117.02
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC(C)CC)C(=O)[O-])S2	REAL300013261789	1	49	-2.0	-118.71	409.63	7.25	-111.46
C#CCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261790	1	39	-2.0	-115.89	358.89	5.66	-110.23
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)C(C)C(=O)[O-])S2	REAL300013261791	1	40	-2.0	-108.47	345.67	6.58	-101.89
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])S2	REAL300013261792	1	47	-2.0	-117.62	405.31	7.15	-110.47
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)C(COC(C)C)C(=O)[O-])S2	REAL300013261793	1	50	-2.0	-112.25	418.42	7.71	-104.54
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])S2	REAL300013261794	1	49	-2.0	-110.61	403.87	8.85	-101.76
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CC=N1)S2	REAL300013261795	1	43	-2.0	-126.45	385.77	5.80	-120.65
CCCC1(C(=O)[O-])CCCN1C(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1	REAL300013261796	1	50	-2.0	-127.11	408.60	9.67	-117.44
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1=CC=CN=C1)S2	REAL300013261798	1	43	-2.0	-120.25	384.53	5.52	-114.73
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC1(COC)C(=O)[O-])S2	REAL300013261799	1	48	-2.0	-125.09	400.48	7.98	-117.11
C=CCCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261800	1	44	-2.0	-116.52	386.93	6.58	-109.94
CC#CCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261801	1	42	-2.0	-117.84	381.55	6.60	-111.24
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC(=O)N(C)CC1C(=O)[O-])S2	REAL300013261802	1	45	-2.0	-118.62	382.73	6.61	-112.01
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC[C@]1(C)C(=O)[O-])S2	REAL300013261803	1	44	-2.0	-124.27	371.17	7.75	-116.52
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)S2	REAL300013261804	1	43	-2.0	-117.51	366.14	5.56	-111.95
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)S2	REAL300013261805	1	44	-2.0	-124.29	389.66	7.29	-117.00
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])S2	REAL300013261806	1	40	-2.0	-107.78	346.10	6.47	-101.31
CCC[C@H](NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261807	1	43	-2.0	-116.60	374.18	6.01	-110.59
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC)C(C)C(=O)[O-])S2	REAL300013261808	1	43	-2.0	-110.27	365.08	7.42	-102.85
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])C1CCCC1)S2	REAL300013261809	1	47	-2.0	-118.65	389.85	8.89	-109.76
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)S2	REAL300013261810	1	46	-2.0	-118.68	384.71	6.20	-112.48
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)[C@@H](CC)C(=O)[O-])S2	REAL300013261811	1	43	-2.0	-108.63	366.55	7.55	-101.08
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(CO)C1)S2	REAL300013261812	1	45	-2.0	-124.68	386.93	3.11	-121.57
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC(C)C1)S2	REAL300013261813	1	47	-2.0	-123.96	388.78	6.89	-117.07
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC1(C)C)S2	REAL300013261814	1	50	-2.0	-125.80	397.45	7.50	-118.30
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CCOC)C(=O)[O-])S2	REAL300013261815	1	44	-2.0	-114.78	387.14	4.29	-110.49
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(C)(C)C1)S2	REAL300013261816	1	47	-2.0	-125.66	391.17	7.57	-118.09
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1(C)CC1)S2	REAL300013261817	1	44	-2.0	-119.76	377.08	6.58	-113.18
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])S2	REAL300013261818	1	42	-2.0	-133.33	366.25	3.75	-129.58
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCOC1)S2	REAL300013261819	1	45	-2.0	-114.51	380.63	4.24	-110.27
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])S2	REAL300013261820	1	45	-2.0	-127.81	376.45	8.33	-119.48
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC3CC1(C(=O)[O-])CO3)S2	REAL300013261821	1	43	-2.0	-123.38	367.97	5.97	-117.41
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC(C)CCC1C(=O)[O-])S2	REAL300013261822	1	47	-2.0	-131.11	382.48	9.46	-121.65
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)C1(C(=O)[O-])CC1)S2	REAL300013261823	1	41	-2.0	-121.45	361.23	7.11	-114.34
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCC1)S2	REAL300013261824	1	44	-2.0	-119.36	374.11	6.13	-113.23
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCCC1)S2	REAL300013261825	1	50	-2.0	-120.63	407.22	7.44	-113.19
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCC1)S2	REAL300013261826	1	44	-2.0	-119.36	374.11	6.13	-113.23
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C)C1C(=O)[O-])S2	REAL300013261827	1	44	-2.0	-127.74	376.91	7.47	-120.27
C=CCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261828	1	41	-2.0	-115.95	366.77	5.67	-110.28
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(OC)C1)S2	REAL300013261829	1	45	-2.0	-120.88	386.32	4.72	-116.16
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(F)(F)C1)S2	REAL300013261830	1	41	-2.0	-117.03	363.16	5.88	-111.15
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)S2	REAL300013261831	1	45	-2.0	-125.46	386.51	5.10	-120.36
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC1(CC)C(=O)[O-])S2	REAL300013261832	1	47	-2.0	-125.32	384.79	8.70	-116.62
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC(F)(F)F)C(=O)[O-])S2	REAL300013261833	1	40	-2.0	-110.83	368.56	5.96	-104.87
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])S2	REAL300013261834	1	48	-2.0	-116.82	407.27	5.25	-111.57
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])COC1)S2	REAL300013261835	1	39	-2.0	-116.05	345.55	2.88	-113.17
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)S2	REAL300013261836	1	46	-2.0	-120.16	372.52	6.14	-114.02
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])S2	REAL300013261837	1	42	-2.0	-129.66	361.55	8.36	-121.30
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])S2	REAL300013261838	1	45	-2.0	-128.61	377.51	8.02	-120.59
C=CCSCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261839	1	45	-2.0	-117.24	411.20	7.10	-110.14
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC)C(CC)C(=O)[O-])S2	REAL300013261840	1	46	-2.0	-118.75	382.59	8.84	-109.91
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1(OC)CCC1)S2	REAL300013261841	1	48	-2.0	-123.03	401.71	5.01	-118.02
CCOC(=O)C1CCC2=C1N=C(NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)S2	REAL300013261842	0	44	-2.0	-119.33	386.86	7.65	-111.68
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1)S2	REAL300013261842	1	43	-3.0	-199.54	383.53	6.43	-193.11
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])S2	REAL300013261843	1	41	-2.0	-120.43	360.69	7.32	-113.11
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C3C=CC(C3)C1C(=O)[O-])S2	REAL300013261844	1	43	-2.0	-129.24	370.56	8.07	-121.17
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C)(C)C1C(=O)[O-])S2	REAL300013261845	1	47	-2.0	-128.20	386.54	8.17	-120.03
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CCC(C)C)C(=O)[O-])S2	REAL300013261846	1	49	-2.0	-117.15	413.20	7.31	-109.84
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC3(CCC3)CC1C(=O)[O-])S2	REAL300013261847	1	48	-2.0	-130.24	401.51	8.80	-121.44
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC1CCOC1)C(=O)[O-])S2	REAL300013261848	1	48	-2.0	-116.82	407.27	5.25	-111.57
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-])S2	REAL300013261849	1	45	-2.0	-121.06	397.27	8.38	-112.68
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)S2	REAL300013261850	1	41	-2.0	-112.67	359.44	1.86	-110.81
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@@H](CO)C(=O)[O-])S2	REAL300013261851	1	38	-2.0	-120.07	342.65	1.06	-119.01
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCCC3CC31)S2	REAL300013261852	1	48	-2.0	-126.62	388.82	7.99	-118.63
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CCC3CC31)S2	REAL300013261853	1	45	-2.0	-125.30	375.96	7.09	-118.21
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(C(=O)[O-])CC3(CCC3)C1)S2	REAL300013261854	1	48	-2.0	-124.94	397.35	7.47	-117.47
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCC1)S2	REAL300013261855	1	47	-2.0	-119.48	389.69	6.76	-112.72
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S2	REAL300013261856	1	44	-2.0	-119.68	382.97	4.47	-115.21
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)S2	REAL300013261857	1	44	-2.0	-125.01	372.76	6.68	-118.33
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC(C)(C)CC1C(=O)[O-])S2	REAL300013261858	1	47	-2.0	-127.88	394.37	8.07	-119.81
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(F)(F)C1C(=O)[O-])S2	REAL300013261859	1	41	-2.0	-121.21	365.79	7.34	-113.87
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])S2	REAL300013261860	1	48	-2.0	-129.36	392.36	8.60	-120.76
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CCCOC)C(=O)[O-])S2	REAL300013261861	1	47	-2.0	-117.55	408.64	5.06	-112.49
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1	REAL300013261862	1	46	-2.0	-110.24	387.45	8.44	-101.80
CCOCC(NC(=O)[N-]C1=NC2=C(CCC2C(=O)OCC)S1)C(=O)[O-]	REAL300013261863	1	44	-2.0	-119.88	386.68	4.44	-115.44
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])S2	REAL300013261864	1	49	-2.0	-118.25	404.32	7.65	-110.60
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C(=O)[O-])C1CCCCO1)S2	REAL300013261865	1	48	-2.0	-122.75	402.20	5.39	-117.36
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])S2	REAL300013261866	1	45	-2.0	-125.05	377.43	6.86	-118.19
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(CCC#N)C(=O)[O-])S2	REAL300013261867	1	41	-2.0	-110.93	373.50	5.75	-105.18
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(CC(=O)[O-])CC1=CC=CO1)S2	REAL300013261868	1	44	-2.0	-119.88	394.17	8.48	-111.40
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)[C@H](C)C(=O)[O-])S2	REAL300013261869	1	40	-2.0	-107.86	345.53	6.52	-101.34
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-])S2	REAL300013261870	1	48	-2.0	-126.48	409.19	7.16	-119.32
CSC1=CC=NC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013262076	0	35	-2.0	-126.88	317.87	6.65	-120.23
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C(C)C=C1Cl	REAL300013262375	0	38	-2.0	-120.97	334.94	7.93	-113.04
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3CCC(F)(F)CC3)=C2)(C(=O)[O-])C1	REAL300013262738	0	48	-2.0	-123.39	393.96	9.85	-113.54
O=C([O-])C1CC(NC(=O)NC2=CC3=CC=CC=C3C=C2Cl)(C(=O)[O-])C1	REAL300013263043	0	38	-2.0	-123.85	340.73	8.79	-115.06
O=C([O-])C1CC(NC(=O)NC2=CC=NN2C2CC2(F)F)(C(=O)[O-])C1	REAL300013263366	0	36	-2.0	-120.59	323.99	6.56	-114.03
O=C([O-])C1CC(NC(=O)NC2=CC=CC3=C2CCOC3)(C(=O)[O-])C1	REAL300013263669	0	40	-2.0	-117.41	329.85	6.05	-111.36
O=C([O-])C1CC(NC(=O)NC2=CC=CN=C2OC(F)F)(C(=O)[O-])C1	REAL300013263998	0	35	-2.0	-116.04	316.88	3.37	-112.67
CN1CCCC2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C21	REAL300013264327	0	44	-2.0	-127.15	351.96	7.08	-120.07
COC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300013264630	0	39	-2.0	-117.04	347.55	6.13	-110.91
CC1=CC=CC=C1OC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300013265058	0	46	-2.0	-117.50	389.15	9.42	-108.08
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3CC3(F)F)C=C2)(C(=O)[O-])C1	REAL300013265372	0	39	-2.0	-119.87	341.09	8.05	-111.82
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C)(COC)C(=O)[O-])=N2	REAL300013265778	1	46	-2.0	-118.41	388.25	3.51	-114.90
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N2	REAL300013265779	1	48	-2.0	-115.53	402.07	7.33	-108.20
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013265780	1	43	-2.0	-111.95	371.14	6.40	-105.55
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOC1)=N2	REAL300013265781	1	44	-2.0	-114.66	371.48	2.36	-112.30
C=CCOCC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265782	1	47	-2.0	-116.97	412.48	3.74	-113.23
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)C1C(=O)[O-])=N2	REAL300013265783	1	47	-2.0	-129.82	389.20	4.02	-125.80
C=CC(C)C(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265784	1	46	-2.0	-112.56	397.40	5.10	-107.46
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)CC1C(=O)[O-])=N2	REAL300013265785	1	49	-2.0	-125.84	399.37	7.90	-117.94
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N2	REAL300013265786	1	45	-2.0	-114.62	382.91	4.53	-110.09
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013265787	1	46	-2.0	-125.31	378.28	7.33	-117.98
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013265788	1	49	-2.0	-119.51	395.35	6.07	-113.44
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C(=O)[O-])=N2	REAL300013265789	1	43	-2.0	-121.02	366.41	5.93	-115.09
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013265790	1	46	-2.0	-119.00	380.84	4.96	-114.04
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC(=O)[O-])=N2	REAL300013265791	1	36	-2.0	-98.83	323.25	2.11	-96.72
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CC)C(=O)[O-])=N2	REAL300013265792	1	42	-2.0	-113.03	365.03	3.98	-109.05
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)C)=N2	REAL300013265793	1	45	-2.0	-114.62	382.91	4.53	-110.09
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)CC(=O)[O-])=N2	REAL300013265794	1	39	-2.0	-109.70	344.06	5.07	-104.63
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013265795	1	40	-2.0	-116.93	355.47	-0.21	-117.14
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CO)C(=O)[O-])=N2	REAL300013265796	1	40	-2.0	-116.93	355.47	-0.21	-117.14
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C)C(=O)[O-])=N2	REAL300013265797	1	39	-2.0	-100.08	343.87	2.95	-97.13
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C(C)CC)=N2	REAL300013265798	1	48	-2.0	-115.89	400.85	5.16	-110.73
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)CC(=O)[O-])=N2	REAL300013265799	1	39	-2.0	-109.70	344.06	5.07	-104.63
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1C(=O)[O-])=N2	REAL300013265800	1	46	-2.0	-125.31	378.28	7.33	-117.98
CCCC(C)(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265801	1	48	-2.0	-116.38	391.50	4.99	-111.39
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N2	REAL300013265802	1	45	-2.0	-111.52	376.14	6.38	-105.14
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CC1)=N2	REAL300013265803	1	43	-2.0	-111.95	371.14	6.40	-105.55
C=CCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1	REAL300013265804	1	43	-2.0	-114.50	378.73	6.62	-107.88
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])CC(C)C)=N2	REAL300013265805	1	48	-2.0	-115.53	402.07	7.33	-108.20
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C)(C)C(=O)[O-])=N2	REAL300013265806	1	42	-2.0	-97.90	356.61	3.32	-94.58
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C1CC1)=N2	REAL300013265807	1	46	-2.0	-117.70	382.71	5.05	-112.65
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCCC1)=N2	REAL300013265808	1	49	-2.0	-119.51	395.35	6.07	-113.44
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C(C)C)=N2	REAL300013265809	1	45	-2.0	-111.52	376.14	6.38	-105.14
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1	REAL300013265810	1	45	-2.0	-114.46	387.41	6.81	-107.65
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC)CC(=O)[O-])=N2	REAL300013265811	1	42	-2.0	-110.78	365.92	6.05	-104.73
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013265812	1	40	-2.0	-116.96	354.99	-0.22	-117.18
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=N2	REAL300013265813	1	48	-2.0	-115.47	396.35	4.95	-110.52
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C)C(=O)[O-])=N2	REAL300013265814	1	39	-2.0	-100.08	343.87	2.95	-97.13
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCCC1)=N2	REAL300013265815	1	46	-2.0	-119.00	380.84	4.96	-114.04
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C)(CC)C(=O)[O-])=N2	REAL300013265816	1	45	-2.0	-115.51	370.00	4.23	-111.28
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C)C(=O)[O-])=N2	REAL300013265817	1	39	-2.0	-100.27	344.32	2.88	-97.39
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC)CC(=O)[O-])=N2	REAL300013265818	1	42	-2.0	-110.78	365.92	6.05	-104.73
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013265819	1	44	-2.0	-122.26	377.64	2.52	-119.74
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H](C)C(=O)[O-])=N2	REAL300013265820	1	39	-2.0	-99.93	344.01	2.93	-97.00
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC1)=N2	REAL300013265821	1	40	-2.0	-118.70	350.17	4.02	-114.68
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCOCC1C(=O)[O-])=N2	REAL300013265822	1	44	-2.0	-119.13	369.72	4.78	-114.35
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013265823	1	43	-2.0	-114.70	372.73	4.43	-110.27
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CCOC)CC(=O)[O-])=N2	REAL300013265824	1	46	-2.0	-115.79	397.29	5.23	-110.56
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013265825	1	43	-2.0	-120.81	367.19	5.67	-115.14
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCC[C@@H]1C(=O)[O-])=N2	REAL300013265826	1	46	-2.0	-125.37	378.36	7.36	-118.01
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])=N2	REAL300013265827	1	44	-2.0	-120.53	378.40	2.28	-118.25
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N2	REAL300013265828	1	42	-2.0	-105.24	357.92	5.15	-100.09
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013265829	1	43	-2.0	-121.51	367.25	5.66	-115.85
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC1)=N2	REAL300013265830	1	43	-2.0	-118.75	366.99	4.54	-114.21
C=CCC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265831	1	43	-2.0	-112.85	378.35	4.41	-108.44
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(C)C(=O)[O-])=N2	REAL300013265832	1	46	-2.0	-120.17	383.57	6.46	-113.71
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCCCC1C(=O)[O-])=N2	REAL300013265833	1	49	-2.0	-124.45	393.29	8.10	-116.35
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CC1)=N2	REAL300013265834	1	43	-2.0	-114.70	372.73	4.43	-110.27
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N2	REAL300013265835	1	42	-2.0	-105.66	357.90	5.24	-100.42
CCCCC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265836	1	48	-2.0	-113.72	408.86	5.50	-108.22
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@]1(C)C(=O)[O-])=N2	REAL300013265837	1	46	-2.0	-120.79	383.56	6.46	-114.33
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013265838	1	49	-2.0	-115.78	402.21	7.61	-108.17
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(COC)C(=O)[O-])=N2	REAL300013265839	1	43	-2.0	-115.97	377.73	2.19	-113.78
CCCCCC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265840	1	51	-2.0	-113.79	430.36	6.28	-107.51
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2	REAL300013265841	1	48	-2.0	-115.88	396.64	5.06	-110.82
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CCCC1)=N2	REAL300013265842	1	49	-2.0	-121.61	393.40	6.86	-114.75
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C(C)C(=O)[O-])C1CC1)=N2	REAL300013265843	1	46	-2.0	-104.28	383.65	7.75	-96.53
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C(CC)C(=O)[O-])C1CC1)=N2	REAL300013265844	1	49	-2.0	-109.72	400.72	7.96	-101.76
CCCN(CC(=O)[O-])C(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1	REAL300013265845	1	45	-2.0	-114.46	387.41	6.81	-107.65
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C(C)C(=O)[O-])C1CCC1)=N2	REAL300013265846	1	49	-2.0	-106.98	399.82	7.13	-99.85
CCCN(C(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(CC)C(=O)[O-]	REAL300013265847	1	51	-2.0	-116.14	416.52	8.29	-107.85
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC(=O)[O-])=N2	REAL300013265848	1	36	-2.0	-98.83	323.25	2.11	-96.72
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N2	REAL300013265849	1	48	-2.0	-114.78	404.29	5.31	-109.47
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCOCC1)=N2	REAL300013265850	1	47	-2.0	-115.41	386.77	3.57	-111.84
C=CCCC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265851	1	46	-2.0	-113.42	399.34	5.29	-108.13
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CF)C(=O)[O-])=N2	REAL300013265852	1	39	-2.0	-99.20	347.49	2.96	-96.24
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CC)(CC)C(=O)[O-])=N2	REAL300013265853	1	48	-2.0	-116.70	386.39	5.12	-111.58
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013265854	1	46	-2.0	-114.43	397.43	5.50	-108.93
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CCOC)C(=O)[O-])=N2	REAL300013265855	1	46	-2.0	-111.75	399.54	3.01	-108.74
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CC(F)F)C(=O)[O-])=N2	REAL300013265856	1	42	-2.0	-109.00	375.65	4.49	-104.51
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CCF)C(=O)[O-])=N2	REAL300013265857	1	42	-2.0	-108.69	372.46	4.09	-104.60
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C)(CCF)C(=O)[O-])=N2	REAL300013265858	1	45	-2.0	-110.05	376.59	4.37	-105.68
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N2	REAL300013265859	1	42	-2.0	-105.07	358.46	5.19	-99.88
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])C3)=N2	REAL300013265860	1	44	-2.0	-124.12	372.75	6.46	-117.66
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2	REAL300013265861	1	48	-2.0	-115.88	396.64	5.06	-110.82
C=C(C)CC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265862	1	46	-2.0	-113.17	398.88	5.17	-108.00
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1C3CCC1(C(=O)[O-])CC3)=N2	REAL300013265863	1	47	-2.0	-123.80	386.32	7.21	-116.59
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])=N2	REAL300013265864	1	44	-2.0	-119.44	378.49	2.28	-117.16
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013265865	1	43	-2.0	-115.99	372.93	6.02	-109.97
C=C1C[C@@H](C(=O)[O-])N(C(=O)[N-]C2=NC3=C(CN(C(=O)OCC)CC3)S2)C1	REAL300013265866	1	44	-2.0	-122.00	379.67	6.36	-115.64
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC(C)C)C(=O)[O-])=N2	REAL300013265867	1	48	-2.0	-114.78	404.29	5.31	-109.47
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CC1CC1)C(=O)[O-])=N2	REAL300013265868	1	46	-2.0	-114.43	397.43	5.50	-108.93
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)=N2	REAL300013265869	1	43	-2.0	-112.78	372.63	1.05	-111.73
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CSC)C(=O)[O-])=N2	REAL300013265870	1	43	-2.0	-113.51	388.66	4.40	-109.11
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@@H](COC)C(=O)[O-])=N2	REAL300013265871	1	43	-2.0	-115.92	377.69	2.17	-113.75
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CC)C(=O)[O-])=N2	REAL300013265872	1	42	-2.0	-113.12	365.83	3.94	-109.18
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CC(C)CC)C(=O)[O-])=N2	REAL300013265873	1	51	-2.0	-115.63	422.03	5.97	-109.66
C=CCCCC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265874	1	49	-2.0	-113.52	420.84	6.07	-107.45
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]1C(=O)[O-])=N2	REAL300013265875	1	43	-2.0	-120.81	367.19	5.67	-115.14
CCCC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265876	1	45	-2.0	-113.45	386.53	4.73	-108.72
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@@H](C(=O)[O-])C(C)C)=N2	REAL300013265877	1	45	-2.0	-113.66	377.27	4.35	-109.31
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])=N2	REAL300013265878	1	47	-2.0	-126.58	388.57	7.57	-119.01
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC)C(C)(C)C(=O)[O-])=N2	REAL300013265879	1	48	-2.0	-117.76	391.64	6.91	-110.85
CCCN(C(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(C)C(=O)[O-]	REAL300013265880	1	48	-2.0	-118.44	400.09	7.90	-110.54
CCC[C@@H](NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265881	1	45	-2.0	-112.92	387.09	4.77	-108.15
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])=N2	REAL300013265882	1	47	-2.0	-126.85	391.17	6.88	-119.97
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)(C)C(=O)[O-])=N2	REAL300013265883	1	45	-2.0	-116.58	373.15	6.05	-110.53
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H]1C(=O)[O-])=N2	REAL300013265884	1	43	-2.0	-121.51	367.25	5.66	-115.85
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CC(C)CC)C(=O)[O-])=N2	REAL300013265886	1	51	-2.0	-115.63	422.03	5.97	-109.66
C#CCC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265887	1	41	-2.0	-112.83	371.30	4.38	-108.45
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)C(C)C(=O)[O-])=N2	REAL300013265888	1	42	-2.0	-105.66	357.90	5.24	-100.42
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CC=C(C)C)C(=O)[O-])=N2	REAL300013265889	1	49	-2.0	-114.59	418.55	5.85	-108.74
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)C(CC(C)C)C(=O)[O-])=N2	REAL300013265890	1	51	-2.0	-109.25	417.19	7.66	-101.59
C=CCCC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265892	1	46	-2.0	-113.42	399.34	5.29	-108.13
CC#CCC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265893	1	44	-2.0	-114.70	393.13	5.33	-109.37
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@]1(C)C(=O)[O-])=N2	REAL300013265894	1	46	-2.0	-120.19	383.53	6.46	-113.73
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])C(C)C)=N2	REAL300013265895	1	45	-2.0	-114.41	378.50	4.27	-110.14
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](C)C(=O)[O-])=N2	REAL300013265896	1	42	-2.0	-105.07	358.46	5.19	-99.88
CCC[C@H](NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265897	1	45	-2.0	-113.56	387.37	4.71	-108.85
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC)C(C)C(=O)[O-])=N2	REAL300013265898	1	45	-2.0	-107.45	377.48	6.14	-101.31
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC(=O)[O-])C1CCCC1)=N2	REAL300013265899	1	49	-2.0	-115.78	402.21	7.61	-108.17
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=N2	REAL300013265900	1	48	-2.0	-115.47	396.35	4.95	-110.52
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)[C@@H](CC)C(=O)[O-])=N2	REAL300013265901	1	45	-2.0	-105.92	378.92	6.27	-99.65
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(CO)C1)=N2	REAL300013265902	1	47	-2.0	-123.62	397.52	1.71	-121.91
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC(C)C1)=N2	REAL300013265903	1	49	-2.0	-119.74	401.90	5.58	-114.16
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CCOC)C(=O)[O-])=N2	REAL300013265904	1	46	-2.0	-111.75	399.54	3.01	-108.74
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(C)(C)C1)=N2	REAL300013265905	1	49	-2.0	-120.42	403.40	6.24	-114.18
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1(C)CC1)=N2	REAL300013265906	1	46	-2.0	-116.70	389.45	5.30	-111.40
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])=N2	REAL300013265907	1	44	-2.0	-127.74	378.49	2.46	-125.28
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCOC1)=N2	REAL300013265908	1	47	-2.0	-111.95	400.37	3.08	-108.87
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])=N2	REAL300013265909	1	47	-2.0	-124.17	388.56	7.02	-117.15
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CC3CC1(C(=O)[O-])CO3)=N2	REAL300013265910	1	45	-2.0	-119.31	379.77	4.75	-114.56
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CC(C)CCC1C(=O)[O-])=N2	REAL300013265911	1	49	-2.0	-126.37	394.74	8.16	-118.21
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)C1(C(=O)[O-])CC1)=N2	REAL300013265912	1	43	-2.0	-116.96	373.46	5.81	-111.15
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013265913	1	46	-2.0	-116.25	385.95	4.92	-111.33
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCC1)=N2	REAL300013265914	1	46	-2.0	-116.25	385.95	4.92	-111.33
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)C1C(=O)[O-])=N2	REAL300013265915	1	46	-2.0	-122.70	384.05	6.07	-116.63
C=CCC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265916	1	43	-2.0	-112.85	378.35	4.41	-108.44
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CC(OC)C1)=N2	REAL300013265917	1	47	-2.0	-116.13	398.55	3.42	-112.71
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)=N2	REAL300013265918	1	47	-2.0	-121.86	398.94	3.81	-118.05
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCC1(CC)C(=O)[O-])=N2	REAL300013265919	1	49	-2.0	-122.15	397.16	7.41	-114.74
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])COC1)=N2	REAL300013265920	1	41	-2.0	-111.52	357.78	1.58	-109.94
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C)(C(=O)[O-])C(C)C)=N2	REAL300013265921	1	48	-2.0	-116.92	386.74	4.92	-112.00
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013265922	1	44	-2.0	-124.72	373.78	7.08	-117.64
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300013265923	1	47	-2.0	-124.40	389.86	6.74	-117.66
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(CC)C(CC)C(=O)[O-])=N2	REAL300013265924	1	48	-2.0	-107.70	393.63	7.07	-100.63
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])=N2	REAL300013265925	1	43	-2.0	-115.99	372.93	6.02	-109.97
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1C3C=CC(C3)C1C(=O)[O-])=N2	REAL300013265926	1	45	-2.0	-125.97	382.92	6.78	-119.19
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C)C1C(=O)[O-])=N2	REAL300013265927	1	49	-2.0	-123.40	398.77	6.87	-116.53
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CCC(C)C)C(=O)[O-])=N2	REAL300013265928	1	51	-2.0	-114.18	426.43	6.01	-108.17
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@H](C)O)=N2	REAL300013265929	1	43	-2.0	-109.54	371.78	0.59	-108.95
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@@H](CO)C(=O)[O-])=N2	REAL300013265930	1	40	-2.0	-116.96	354.99	-0.22	-117.18
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(C(=O)[O-])CCC3CC31)=N2	REAL300013265931	1	47	-2.0	-121.63	388.32	5.80	-115.83
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C(=O)[O-])C1CCCC1)=N2	REAL300013265932	1	49	-2.0	-116.42	402.06	5.47	-110.95
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N2	REAL300013265933	1	46	-2.0	-116.73	395.70	3.24	-113.49
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)=N2	REAL300013265934	1	46	-2.0	-120.72	388.81	5.55	-115.17
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CC(C)(C)CC1C(=O)[O-])=N2	REAL300013265935	1	49	-2.0	-124.71	406.70	6.78	-117.93
CCCC(C(=O)[O-])N(C)C(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1	REAL300013265936	1	48	-2.0	-107.41	399.83	7.16	-100.25
CCOCC(NC(=O)[N-]C1=NC2=C(CN(C(=O)OCC)CC2)S1)C(=O)[O-]	REAL300013265937	1	46	-2.0	-116.79	399.58	3.17	-113.62
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CC(C)(C)C)C(=O)[O-])=N2	REAL300013265938	1	51	-2.0	-114.52	416.46	6.42	-108.10
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])=N2	REAL300013265939	1	47	-2.0	-121.48	389.80	5.57	-115.91
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(CCC#N)C(=O)[O-])=N2	REAL300013265940	1	43	-2.0	-108.10	386.72	4.45	-103.65
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)[C@H](C)C(=O)[O-])=N2	REAL300013265941	1	42	-2.0	-105.24	357.92	5.15	-100.09
CCCSC1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013266220	0	42	-2.0	-128.28	364.16	8.58	-119.70
O=C([O-])C1CC(NC(=O)NC2=CC=CC(P3(=O)CCCC3)=C2)(C(=O)[O-])C1	REAL300013266503	0	45	-2.0	-126.56	383.20	6.93	-119.63
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C(F)F)=C2)(C(=O)[O-])C1	REAL300013266771	0	35	-2.0	-120.19	313.16	6.80	-113.39
O=C([O-])C1CC(NC(=O)NC2=CN(C3CCS(=O)(=O)C3)N=C2)(C(=O)[O-])C1	REAL300013267045	0	42	-2.0	-128.94	364.53	2.20	-126.74
N#CC1=CN(C2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)N=C1	REAL300013267521	0	40	-2.0	-121.28	361.02	7.57	-113.71
CC(C)C1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300013267773	0	44	-2.0	-117.67	373.99	8.66	-109.01
CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C(Cl)C=C1C1CC1	REAL300013268073	0	42	-2.0	-120.15	361.79	9.16	-110.99
CC1=CC=C(C(C)C)C=C1NC(=O)NC1(C(=O)[O-])CC(C(=O)[O-])C1	REAL300013268366	0	44	-2.0	-125.85	358.70	8.68	-117.17
O=C([O-])C1CC(NC(=O)NC2=NOC(C3CCC3)=C2)(C(=O)[O-])C1	REAL300013268626	0	38	-2.0	-117.08	325.25	7.24	-109.84
CC1=NC(C2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)=CO1	REAL300013268954	0	41	-2.0	-124.94	356.01	4.87	-120.07
CC(C)OC1=CC(F)=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013269278	0	42	-2.0	-116.92	355.88	6.81	-110.11
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C3CC3)=C2)(C(=O)[O-])C1	REAL300013269535	0	39	-2.0	-125.69	330.20	8.03	-117.66
CCOC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC(OCC)=C1	REAL300013270304	0	46	-2.0	-122.12	382.06	6.29	-115.83
CC(C)C1=CC=C(Cl)C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013270793	0	41	-2.0	-121.83	355.00	8.46	-113.37
CCC1=NC(C2=CC=CC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=C2)=NO1	REAL300013271099	0	43	-2.0	-135.00	374.76	6.02	-128.98
O=C([O-])C1CC(NC(=O)NC2=CC=CC(C=CC(F)(F)F)=C2)(C(=O)[O-])C1	REAL300013271400	0	39	-2.0	-124.40	351.47	8.23	-116.17
CC(C)C1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300013271652	0	44	-2.0	-119.82	374.01	8.66	-111.16
O=C([O-])C1CC(NC(=O)NC2=CC=C(C=CC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300013271948	0	39	-2.0	-116.02	350.08	8.13	-107.89
C=C(C)C1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300013272211	0	42	-2.0	-120.63	369.19	8.59	-112.04
COC1=CC2=NC(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)=CC(C)=C2C=C1	REAL300013272509	0	44	-2.0	-144.43	370.61	7.69	-136.74
CC1=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=CC=C1S(C)(=O)=O	REAL300013272814	0	41	-2.0	-129.92	349.31	4.26	-125.66
CCSC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300013273115	0	39	-2.0	-124.79	357.66	8.23	-116.56
CC(C)C1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1F	REAL300013273405	0	41	-2.0	-119.44	346.24	7.88	-111.56
CC(C)OC1=CC(Cl)=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013273721	0	42	-2.0	-117.65	366.20	7.25	-110.40
N#CC1=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1OC1CCCC1	REAL300013273981	0	47	-2.0	-127.97	395.64	8.57	-119.40
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300013274248	0	46	-2.0	-129.75	389.19	8.97	-120.78
O=C([O-])C1CC(NC(=O)NC2=CN(CC3=NC=CC=N3)N=C2)(C(=O)[O-])C1	REAL300013274562	0	40	-2.0	-126.29	352.97	4.68	-121.61
O=C([O-])C1CC(NC(=O)NC2=CC=CC(OC3CCC3)=C2)(C(=O)[O-])C1	REAL300013274885	0	43	-2.0	-129.96	358.64	7.57	-122.39
O=C([O-])C1CC(NC(=O)NC2=CC(N3C=CC=N3)=CC=N2)(C(=O)[O-])C1	REAL300013275214	0	38	-2.0	-123.89	334.43	6.77	-117.12
CC1=CC=CC(C2=CC=C(NC(=O)NC3(C(=O)[O-])CC(C(=O)[O-])C3)C=C2)=C1	REAL300013275527	0	45	-2.0	-119.08	375.20	9.90	-109.18
CC(F)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300013275776	0	38	-2.0	-121.65	328.81	7.39	-114.26
O=C([O-])C1CC(NC(=O)NC2=CC=C(C3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300013276221	0	48	-2.0	-117.19	381.44	9.62	-107.57
O=C([O-])C1CC(NC(=O)NC2=CC=CC(CCF)=C2)(C(=O)[O-])C1	REAL300013276476	0	38	-2.0	-116.62	328.64	7.39	-109.23
CCCN(CC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013277581	1	44	-2.0	-105.05	378.69	8.10	-96.95
CCCN(CC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013277766	0	41	-2.0	-95.65	372.03	7.30	-88.35
CCCN(CC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013277767	1	41	-2.0	-96.53	371.94	7.28	-89.25
CCCN(CC(=O)[O-])C1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300013277768	1	41	-2.0	-100.90	344.54	7.38	-93.52
CN(CC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013278017	1	38	-2.0	-92.39	343.54	6.52	-85.87
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N(C)CC(=O)[O-]	REAL300013278092	0	42	-2.0	-117.11	373.73	5.47	-111.64
CN(CC(=O)[O-])C1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013278109	0	40	-2.0	-114.94	353.25	5.56	-109.38
CN(CC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013278166	0	35	-2.0	-95.81	328.73	5.60	-90.21
CN(CC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013278168	1	35	-2.0	-96.66	328.63	5.59	-91.07
O=C([O-])[C@H]1CCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013278355	1	42	-2.0	-103.29	361.15	6.91	-96.38
O=C([O-])[C@H]1CCCN1C1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013278465	0	44	-2.0	-145.98	376.91	5.69	-140.29
O=C([O-])[C@H]1CCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013278535	0	39	-2.0	-99.81	346.01	4.61	-95.20
O=C([O-])[C@H]1CCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013278536	1	39	-2.0	-96.70	345.89	4.60	-92.10
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@@H]3C(=O)[O-])N=C2)=N1	REAL300013278537	1	39	-2.0	-108.12	319.02	4.73	-103.39
CC(C)[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013278809	1	44	-2.0	-95.07	382.35	7.17	-87.90
CC(C)[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013278985	0	41	-2.0	-90.89	361.59	5.28	-85.61
CC(C)[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013278986	1	41	-2.0	-92.21	367.34	5.44	-86.77
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H](C(=O)[O-])C(C)C)N=C2)=N1	REAL300013278987	1	41	-2.0	-100.85	339.94	5.54	-95.31
C[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013279080	1	38	-2.0	-89.95	346.61	5.69	-84.26
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N[C@H](C)C(=O)[O-]	REAL300013279118	0	42	-2.0	-111.92	373.08	5.15	-106.77
C[C@@H](NC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300013279134	0	40	-2.0	-113.99	361.93	5.71	-108.28
C[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013279180	0	35	-2.0	-83.23	327.73	3.95	-79.28
C[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013279181	1	35	-2.0	-85.07	327.93	3.92	-81.15
CC(C)C[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013279543	0	44	-2.0	-90.78	388.92	6.26	-84.52
CC(C)C[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013279544	1	44	-2.0	-92.10	388.96	6.22	-85.88
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@@H](CC(C)C)C(=O)[O-])N=C2)=N1	REAL300013279545	1	44	-2.0	-100.59	360.82	6.29	-94.30
CC(C)C[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013280172	0	44	-2.0	-91.29	388.91	6.26	-85.03
CC(C)C[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013280173	1	44	-2.0	-92.56	389.01	6.18	-86.38
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H](CC(C)C)C(=O)[O-])N=C2)=N1	REAL300013280174	1	44	-2.0	-100.70	361.37	6.32	-94.38
CC[C@H](C)[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013280720	0	44	-2.0	-91.87	380.94	5.95	-85.92
CC[C@H](C)[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013280721	1	44	-2.0	-92.71	381.54	5.91	-86.80
CC[C@H](C)[C@H](NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300013280722	1	44	-2.0	-100.94	352.54	5.99	-94.95
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H](CC3=CC=CC=C3)C(=O)[O-])N=C2)=N1	REAL300013281268	1	45	-2.0	-101.29	381.09	8.03	-93.26
O=C([O-])C1=CN=C(N[C@H](CC2=CC=CC=C2)C(=O)[O-])C(Cl)=C1	REAL300013281294	0	33	-2.0	-102.42	312.69	9.39	-93.03
O=C([O-])C1=CC2=C(N[C@H](CC3=CC=CC=C3)C(=O)[O-])N=CNC2=N1	REAL300013281430	0	36	-2.0	-122.79	325.93	9.72	-113.07
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=C(C(=O)[O-])C=C3)N=C2)=N1	REAL300013282101	1	42	-2.0	-96.66	362.41	6.90	-89.76
O=C([O-])C1=CC=C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300013282126	0	30	-2.0	-92.97	293.17	8.20	-84.77
O=C([O-])C1=CC2=C(NCC3=CC=C(C(=O)[O-])C=C3)N=CNC2=N1	REAL300013282285	0	33	-2.0	-130.59	306.34	8.53	-122.06
O=C([O-])[C@@H]1CCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013282358	1	42	-2.0	-105.93	368.55	7.68	-98.25
O=C([O-])[C@@H]1CCCN1C1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013282468	0	44	-2.0	-130.35	382.33	6.63	-123.72
O=C([O-])[C@@H]1CCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013282538	0	39	-2.0	-103.20	353.10	5.26	-97.94
O=C([O-])[C@@H]1CCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013282539	1	39	-2.0	-100.02	353.00	5.25	-94.77
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@H]3C(=O)[O-])N=C2)=N1	REAL300013282540	1	39	-2.0	-107.05	325.62	5.37	-101.68
O=C([O-])CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013282996	1	34	-2.0	-88.01	329.95	6.77	-81.24
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(SCC(=O)[O-])C([N+](=O)[O-])=C2)C(C)=C1	REAL300013282998	1	40	-2.0	-88.75	371.29	8.21	-80.54
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1SCC(=O)[O-]	REAL300013283069	0	38	-2.0	-106.88	359.65	6.31	-100.57
O=C([O-])CSC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013283089	0	36	-2.0	-113.90	347.94	6.04	-107.86
O=C([O-])CSC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013283147	0	31	-2.0	-83.64	317.45	4.76	-78.88
O=C([O-])CSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013283149	0	31	-2.0	-85.19	317.36	4.75	-80.44
O=C([O-])CCSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013283308	1	37	-2.0	-87.31	351.63	7.57	-79.74
O=C([O-])CCSC1=CC=C(C(=O)[N-]C2=NN=CS2)C=N1	REAL300013283323	1	28	-2.0	-93.49	289.66	4.15	-89.34
O=C([O-])CCSC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013283454	0	39	-2.0	-110.78	369.62	6.85	-103.93
O=C([O-])CCSC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013283538	0	34	-2.0	-87.77	339.12	5.55	-82.22
O=C([O-])CCSC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013283540	0	34	-2.0	-89.30	339.03	5.54	-83.76
CC1=C(C)C(=O)[N-]C(C2=CC=C(SCCC(=O)[O-])N=C2)=N1	REAL300013283542	1	34	-2.0	-92.92	311.12	5.70	-87.22
C[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013284176	1	38	-2.0	-89.98	346.11	5.73	-84.25
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N[C@@H](C)C(=O)[O-]	REAL300013284214	0	42	-2.0	-111.83	372.76	5.16	-106.67
C[C@H](NC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300013284230	0	40	-2.0	-113.98	361.76	5.72	-108.26
C[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013284276	0	35	-2.0	-83.44	327.74	3.95	-79.49
C[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013284277	1	35	-2.0	-84.76	327.47	3.95	-80.81
O=C([O-])CNC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013284663	1	35	-2.0	-89.74	326.18	4.98	-84.76
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1NCC(=O)[O-]	REAL300013284711	0	39	-2.0	-111.39	353.44	4.48	-106.91
O=C([O-])CNC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013284724	0	37	-2.0	-113.11	341.19	4.90	-108.21
O=C([O-])CNC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013284764	0	32	-2.0	-82.56	308.51	3.27	-79.29
O=C([O-])CNC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013284765	1	32	-2.0	-84.07	308.40	3.26	-80.81
O=C([O-])C1CCN(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)CC1	REAL300013285166	0	42	-2.0	-85.38	369.55	5.79	-79.59
O=C([O-])C1CCN(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)CC1	REAL300013285169	1	42	-2.0	-87.09	369.45	5.77	-81.32
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])CC3)N=C2)=N1	REAL300013285171	1	42	-2.0	-92.59	342.06	5.87	-86.72
O=C([O-])C1COCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013287210	0	40	-2.0	-97.54	357.67	2.87	-94.67
O=C([O-])C1COCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013287211	1	40	-2.0	-99.64	357.54	2.86	-96.78
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCOCC3C(=O)[O-])N=C2)=N1	REAL300013287212	1	40	-2.0	-103.30	330.12	2.96	-100.34
CC1(C(=O)[O-])CCN(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)C1	REAL300013287698	0	42	-2.0	-84.80	369.08	4.73	-80.07
CC1(C(=O)[O-])CCN(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)C1	REAL300013287701	1	42	-2.0	-86.54	368.97	4.72	-81.82
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C)(C(=O)[O-])C3)N=C2)=N1	REAL300013287703	1	42	-2.0	-94.73	341.58	4.81	-89.92
O=C([O-])C1CN(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)CCO1	REAL300013288237	0	40	-2.0	-87.83	362.03	3.63	-84.20
O=C([O-])C1CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)CCO1	REAL300013288240	1	40	-2.0	-89.47	361.92	3.62	-85.85
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCOC(C(=O)[O-])C3)N=C2)=N1	REAL300013288242	1	40	-2.0	-95.66	334.52	3.73	-91.93
O=C([O-])C1=CC2=C(NCCCC3=NC(=O)[N-]N3)N=CNC2=N1	REAL300013288617	1	33	-2.0	-136.46	301.21	2.11	-134.35
O=C([O-])C1=CC=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300013289062	0	28	-2.0	-100.11	288.42	5.74	-94.37
O=C([O-])C1=CC=CN=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300013289063	0	28	-2.0	-108.05	284.46	6.27	-101.78
O=C([O-])C1=CN=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C(Cl)=C1	REAL300013289064	0	28	-2.0	-85.79	303.92	6.60	-79.19
O=C([O-])C1=CC=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300013289065	0	28	-2.0	-100.11	288.42	5.74	-94.37
O=C([O-])C1=CC=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300013289066	0	28	-2.0	-100.11	288.42	5.74	-94.37
O=C([O-])C1=CC2=C(NCC3=CC(Cl)=CC(Cl)=C3[O-])N=CNC2=N1	REAL300013289067	0	31	-2.0	-118.54	317.10	6.93	-111.61
O=C([O-])C1=CC=CC(N2CCCC(C[N-]C(=O)C(F)(F)F)C2)=N1	REAL300013291065	1	37	-2.0	-107.94	325.69	3.65	-104.29
O=C([O-])C1=CN=C(N2CCCC(C[N-]C(=O)C(F)(F)F)C2)C(Cl)=C1	REAL300013291067	0	37	-2.0	-82.45	344.57	4.18	-78.27
O=C([O-])C1=CC=CC(N2CCCC(C[N-]C(=O)C(F)(F)F)C2)=N1	REAL300013291068	1	37	-2.0	-107.94	325.69	3.65	-104.29
O=C([O-])C1=CC=CC(N2CCCC(C[N-]C(=O)C(F)(F)F)C2)=N1	REAL300013291069	1	37	-2.0	-107.94	325.69	3.65	-104.29
O=C([O-])C1=CC2=C(N3CCCC(C[N-]C(=O)C(F)(F)F)C3)N=CNC2=N1	REAL300013291070	1	40	-2.0	-108.76	351.14	5.46	-103.30
O=C([O-])C1=CC=CC(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)=N1	REAL300013292681	0	40	-2.0	-95.23	360.05	1.34	-93.89
O=C([O-])C1=CC=CN=C1N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	REAL300013292682	1	40	-2.0	-94.31	361.34	2.10	-92.21
O=C([O-])C1=CC=CC(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)=N1	REAL300013292683	0	40	-2.0	-95.23	360.05	1.34	-93.89
O=C([O-])C1=CC=CC(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)=N1	REAL300013292684	0	40	-2.0	-95.23	360.05	1.34	-93.89
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013292976	1	45	-2.0	-111.13	391.41	8.58	-102.55
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013292978	1	45	-2.0	-111.13	391.41	8.58	-102.55
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013292979	1	45	-2.0	-111.13	391.41	8.58	-102.55
O=C([O-])C1=CC=CC(N2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)=N1	REAL300013294807	0	45	-2.0	-93.09	376.11	3.78	-89.31
O=C([O-])C1=CC=CC(N2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)=N1	REAL300013294809	0	45	-2.0	-93.09	376.11	3.78	-89.31
O=C([O-])C1=CC=CC(N2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)=N1	REAL300013294810	0	45	-2.0	-93.09	376.11	3.78	-89.31
O=C([O-])C1=CC=CC(NCC2=CC=CC(Br)=C2[O-])=N1	REAL300013296983	1	28	-2.0	-103.52	275.98	5.37	-98.15
O=C([O-])C1=CC=CN=C1NCC1=CC=CC(Br)=C1[O-]	REAL300013296984	1	28	-2.0	-113.91	272.02	5.91	-108.00
O=C([O-])C1=CN=C(NCC2=CC=CC(Br)=C2[O-])C(Cl)=C1	REAL300013296985	1	28	-2.0	-89.97	291.48	6.23	-83.74
O=C([O-])C1=CC=CC(NCC2=CC=CC(Br)=C2[O-])=N1	REAL300013296986	1	28	-2.0	-103.52	275.98	5.37	-98.15
O=C([O-])C1=CC=CC(NCC2=CC=CC(Br)=C2[O-])=N1	REAL300013296987	1	28	-2.0	-103.52	275.98	5.37	-98.15
O=C([O-])C1=CC2=C(NCC3=CC=CC(Br)=C3[O-])N=CNC2=N1	REAL300013296988	1	31	-2.0	-121.63	304.66	6.57	-115.06
O=C([O-])C1=CC=CC(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)=N1	REAL300013297183	1	37	-2.0	-94.06	325.72	3.65	-90.41
O=C([O-])C1=CN=C(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C(Cl)=C1	REAL300013297185	0	37	-2.0	-79.90	344.10	4.33	-75.57
O=C([O-])C1=CC=CC(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)=N1	REAL300013297186	1	37	-2.0	-94.06	325.72	3.65	-90.41
O=C([O-])C1=CC=CC(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)=N1	REAL300013297187	1	37	-2.0	-94.06	325.72	3.65	-90.41
O=C([O-])C1=CC2=C(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)N=CNC2=N1	REAL300013297188	1	40	-2.0	-111.42	351.11	5.47	-105.95
CN(CC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013297347	1	38	-2.0	-92.39	343.54	6.52	-85.87
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N(C)CC(=O)[O-]	REAL300013297422	0	42	-2.0	-117.11	373.73	5.47	-111.64
CN(CC(=O)[O-])C1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013297439	0	40	-2.0	-114.94	353.25	5.56	-109.38
CN(CC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013297496	0	35	-2.0	-95.81	328.73	5.60	-90.21
CN(CC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013297498	1	35	-2.0	-96.66	328.63	5.59	-91.07
O=C([O-])C1=NC(N2CCN(CC(=O)[N-]C3=NN=CS3)CC2)=CC=C1	REAL300013298100	0	38	-2.0	-114.97	334.28	1.73	-113.24
O=C([O-])C1=CC=CN=C1N1CCN(CC(=O)[N-]C2=NN=CS2)CC1	REAL300013298101	0	38	-2.0	-105.25	335.15	2.62	-102.63
O=C([O-])C1=CN=C(N2CCN(CC(=O)[N-]C3=NN=CS3)CC2)C(Cl)=C1	REAL300013298102	0	38	-2.0	-90.22	352.88	2.30	-87.92
O=C([O-])C1=NC(N2CCN(CC(=O)[N-]C3=NN=CS3)CC2)=CC=C1	REAL300013298103	0	38	-2.0	-114.97	334.28	1.73	-113.24
O=C([O-])C1=NC(N2CCN(CC(=O)[N-]C3=NN=CS3)CC2)=CC=C1	REAL300013298104	0	38	-2.0	-114.97	334.28	1.73	-113.24
O=C([O-])C1=CC2=C(N3CCN(CC(=O)[N-]C4=NN=CS4)CC3)N=CNC2=N1	REAL300013298105	0	41	-2.0	-119.48	354.83	3.28	-116.20
CC(CC(=O)[O-])NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013298368	1	41	-2.0	-98.94	365.40	6.48	-92.46
CC(CC(=O)[O-])NC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013298507	0	43	-2.0	-122.69	382.62	6.58	-116.11
CC(CC(=O)[O-])NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013298586	0	38	-2.0	-91.49	348.62	4.84	-86.65
CC(CC(=O)[O-])NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013298588	1	38	-2.0	-92.97	348.32	4.82	-88.15
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(C)CC(=O)[O-])N=C2)=N1	REAL300013298590	1	38	-2.0	-98.64	320.89	4.90	-93.74
CC(NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013298673	1	38	-2.0	-90.84	344.70	5.61	-85.23
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1NC(C)C(=O)[O-]	REAL300013298711	0	42	-2.0	-112.23	373.00	5.15	-107.08
CC(NC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300013298727	0	40	-2.0	-121.49	354.50	5.90	-115.59
CC(NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013298773	0	35	-2.0	-83.49	328.24	3.95	-79.54
CC(NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013298774	1	35	-2.0	-84.93	327.62	3.94	-80.99
O=C([O-])C1CCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013298846	1	42	-2.0	-106.06	368.62	7.58	-98.48
O=C([O-])C1CCCN1C1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013298956	0	44	-2.0	-128.95	381.77	6.86	-122.09
O=C([O-])C1CCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013299026	0	39	-2.0	-103.53	352.90	5.24	-98.29
O=C([O-])C1CCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013299027	1	39	-2.0	-100.57	345.91	4.60	-95.97
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC3C(=O)[O-])N=C2)=N1	REAL300013299028	1	39	-2.0	-107.87	318.53	4.73	-103.14
CC(C)(CCC(=O)[O-])NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013299367	0	44	-2.0	-85.20	375.54	5.30	-79.90
CC(C)(CCC(=O)[O-])NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013299368	1	44	-2.0	-86.75	375.43	5.29	-81.46
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(C)(C)CCC(=O)[O-])N=C2)=N1	REAL300013299369	1	44	-2.0	-92.62	348.06	5.38	-87.24
CN(CCC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013299509	1	41	-2.0	-92.44	365.37	7.07	-85.37
CN(CCC(=O)[O-])C1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013299648	0	43	-2.0	-111.00	375.08	6.11	-104.89
CN(CCC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013299727	0	38	-2.0	-93.32	349.75	6.02	-87.30
CN(CCC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013299729	1	38	-2.0	-94.56	349.65	6.01	-88.55
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)CCC(=O)[O-])N=C2)=N1	REAL300013299731	1	38	-2.0	-97.88	322.25	6.11	-91.77
CC[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013299825	1	41	-2.0	-93.27	365.06	6.61	-86.66
CC[C@@H](NC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300013299910	0	43	-2.0	-123.52	383.52	6.66	-116.86
CC[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013299972	0	38	-2.0	-90.61	350.40	4.90	-85.71
CC[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013299973	1	38	-2.0	-92.14	350.07	4.94	-87.20
CC[C@@H](NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300013299974	1	38	-2.0	-100.04	322.67	5.02	-95.02
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CCC(C(=O)[O-])CC3)N=C2)=N1	REAL300013300509	1	45	-2.0	-98.72	357.67	6.72	-92.00
O=C([O-])C1=CC2=C(NC3CCC(C(=O)[O-])CC3)N=CNC2=N1	REAL300013300680	0	36	-2.0	-119.39	307.59	8.17	-111.22
O=C([O-])CCCCNC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013300738	1	44	-2.0	-91.73	391.32	7.20	-84.53
O=C([O-])CCCCNC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013301010	0	41	-2.0	-86.36	373.65	5.49	-80.87
O=C([O-])CCCCNC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013301013	1	41	-2.0	-87.94	373.54	5.47	-82.47
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCCCC(=O)[O-])N=C2)=N1	REAL300013301015	1	41	-2.0	-94.70	346.15	5.58	-89.12
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=CC(C(=O)[O-])=C3)N=C2)=N1	REAL300013301658	1	42	-2.0	-100.02	362.42	6.89	-93.13
O=C([O-])C1=CC=CC(CNC2=NC=C(C(=O)[O-])C=C2Cl)=C1	REAL300013301683	0	30	-2.0	-97.13	293.17	8.17	-88.96
O=C([O-])C1=CC2=C(NCC3=CC(C(=O)[O-])=CC=C3)N=CNC2=N1	REAL300013301842	0	33	-2.0	-132.66	306.35	8.52	-124.14
O=C([O-])CCNC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013301866	1	38	-2.0	-87.70	348.32	5.62	-82.08
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1NCCC(=O)[O-]	REAL300013301941	0	42	-2.0	-96.72	375.57	5.12	-91.60
O=C([O-])CCNC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013301958	0	40	-2.0	-108.92	363.32	5.54	-103.38
O=C([O-])CCNC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013302015	0	35	-2.0	-83.26	330.65	3.91	-79.35
O=C([O-])CCNC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013302017	1	35	-2.0	-84.78	330.54	3.89	-80.89
O=C([O-])CCCCCNC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013302465	0	44	-2.0	-87.16	395.15	6.27	-80.89
O=C([O-])CCCCCNC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013302468	1	44	-2.0	-88.91	395.04	6.25	-82.66
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCCCCC(=O)[O-])N=C2)=N1	REAL300013302470	1	44	-2.0	-94.42	367.65	6.36	-88.06
CCCCC(NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013302884	0	44	-2.0	-90.54	393.40	6.45	-84.09
CCCCC(NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013302885	1	44	-2.0	-91.54	393.30	6.44	-85.10
CCCCC(NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300013302886	1	44	-2.0	-100.16	365.90	6.52	-93.64
CCCC(NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013303028	1	44	-2.0	-93.20	386.55	7.38	-85.82
CCCC(NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013303213	0	41	-2.0	-90.58	371.90	5.67	-84.91
CCCC(NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013303214	1	41	-2.0	-91.51	371.03	5.68	-85.83
CCCC(NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300013303215	1	41	-2.0	-99.97	343.62	5.77	-94.20
CC(O)(CNC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013303350	1	42	-2.0	-87.21	374.25	3.89	-83.32
CC(O)(CNC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013303627	0	39	-2.0	-82.36	358.75	2.16	-80.20
CC(O)(CNC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013303630	1	39	-2.0	-83.93	358.64	2.14	-81.79
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C)(O)C(=O)[O-])N=C2)=N1	REAL300013303632	1	39	-2.0	-91.35	331.25	2.25	-89.10
O=C([O-])C1=CC=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013304281	0	40	-2.0	-124.43	333.69	9.73	-114.70
O=C([O-])C1=CC=CC=C1C1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013304387	1	40	-2.0	-107.16	327.15	10.09	-97.07
O=C([O-])C1=CN=C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C(Cl)=C1	REAL300013304388	0	40	-2.0	-99.29	346.24	10.20	-89.09
O=C([O-])C1=CC=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013304431	0	40	-2.0	-124.43	333.69	9.73	-114.70
O=C([O-])C1=CC=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013304475	0	40	-2.0	-124.43	333.69	9.73	-114.70
O=C([O-])C1=CC2=C(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)N=CNC2=N1	REAL300013304594	0	43	-2.0	-126.98	352.23	11.33	-115.65
CC(C)(CNC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013304652	1	44	-2.0	-87.69	383.17	7.01	-80.68
CC(C)(CNC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013304924	0	41	-2.0	-83.89	366.09	5.30	-78.59
CC(C)(CNC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013304927	1	41	-2.0	-85.43	365.98	5.28	-80.15
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C)(C)C(=O)[O-])N=C2)=N1	REAL300013304929	1	41	-2.0	-93.55	338.59	5.38	-88.17
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(CCC(C)(C)C)C(=O)[O-])N=C2)=N1	REAL300013305458	1	50	-2.0	-100.72	399.40	7.47	-93.25
CC(C)(C)CCC(NC1=NC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300013305484	0	38	-2.0	-101.42	330.81	8.86	-92.56
CC(C)(C)CCC(NC1=C2C=C(C(=O)[O-])N=C2NC=N1)C(=O)[O-]	REAL300013305611	0	41	-2.0	-122.15	344.24	9.15	-113.00
CC(CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013305671	1	44	-2.0	-98.50	382.22	7.86	-90.64
CC(CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013305943	0	41	-2.0	-86.42	363.51	6.51	-79.91
CC(CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013305946	1	41	-2.0	-92.77	363.81	6.50	-86.27
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)CC(C)C(=O)[O-])N=C2)=N1	REAL300013305948	1	41	-2.0	-96.14	335.51	6.58	-89.56
O=C([O-])C1=CC=CC(N2CCC(C(=O)[N-]C3=NN=CS3)CC2)=N1	REAL300013308007	0	36	-2.0	-103.81	320.90	3.90	-99.91
O=C([O-])C1=CC=CN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300013308008	1	36	-2.0	-111.33	321.60	4.73	-106.60
O=C([O-])C1=CN=C(N2CCC(C(=O)[N-]C3=NN=CS3)CC2)C(Cl)=C1	REAL300013308009	0	36	-2.0	-87.38	339.28	4.59	-82.79
O=C([O-])C1=CC=CC(N2CCC(C(=O)[N-]C3=NN=CS3)CC2)=N1	REAL300013308010	0	36	-2.0	-103.81	320.90	3.90	-99.91
O=C([O-])C1=CC=CC(N2CCC(C(=O)[N-]C3=NN=CS3)CC2)=N1	REAL300013308011	0	36	-2.0	-103.81	320.90	3.90	-99.91
O=C([O-])C1=CC2=C(N3CCC(C(=O)[N-]C4=NN=CS4)CC3)N=CNC2=N1	REAL300013308012	0	39	-2.0	-121.38	346.29	5.72	-115.66
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C)CC(C(=O)[O-])C3)N=C2)=N1	REAL300013310873	1	45	-2.0	-95.37	363.77	5.88	-89.49
CC1CC(C(=O)[O-])CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013311044	0	36	-2.0	-116.94	303.87	8.66	-108.28
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C)(C(=O)[O-])CC3)N=C2)=N1	REAL300013311534	1	45	-2.0	-92.20	354.50	6.14	-86.06
CC1(C(=O)[O-])CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013311705	0	36	-2.0	-122.05	295.00	8.29	-113.76
O=C([O-])CCCNC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013311778	1	41	-2.0	-92.36	369.82	6.42	-85.94
O=C([O-])CCCNC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013311917	0	43	-2.0	-107.05	384.82	6.34	-100.71
O=C([O-])CCCNC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013311996	0	38	-2.0	-85.50	352.15	4.70	-80.80
O=C([O-])CCCNC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013311998	1	38	-2.0	-87.00	352.04	4.69	-82.31
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCCC(=O)[O-])N=C2)=N1	REAL300013312000	1	38	-2.0	-93.00	324.65	4.80	-88.20
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C)C(C(=O)[O-])C3)N=C2)=N1	REAL300013312572	1	45	-2.0	-97.15	362.29	5.84	-91.31
CC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1C(=O)[O-]	REAL300013312743	0	36	-2.0	-116.24	297.81	8.45	-107.79
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CCOCC3)N=C2)=N1	REAL300013313358	1	46	-2.0	-96.52	364.74	4.80	-91.72
O=C([O-])C1=CN=C(NCC2(C(=O)[O-])CCOCC2)C(Cl)=C1	REAL300013313389	0	34	-2.0	-92.94	297.85	5.99	-86.95
O=C([O-])C1=CC2=C(NCC3(C(=O)[O-])CCOCC3)N=CNC2=N1	REAL300013313567	0	37	-2.0	-132.27	308.67	6.42	-125.85
CC(C)(CCNC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013314063	0	44	-2.0	-86.61	385.43	5.61	-81.00
CC(C)(CCNC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013314066	1	44	-2.0	-88.23	384.74	5.58	-82.65
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCC(C)(C)C(=O)[O-])N=C2)=N1	REAL300013314068	1	44	-2.0	-93.92	357.94	5.70	-88.22
CCC(CC)(CNC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300013314716	1	47	-2.0	-98.24	370.24	6.42	-91.82
CCC(CC)(CNC1=NC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300013314739	0	35	-2.0	-94.79	298.34	7.94	-86.85
CCC(CC)(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C(=O)[O-]	REAL300013314889	0	38	-2.0	-134.52	314.17	8.04	-126.48
CC[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013314920	1	41	-2.0	-93.27	365.06	6.61	-86.66
CC[C@@H](NC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300013315005	0	43	-2.0	-123.52	383.52	6.66	-116.86
CC[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013315067	0	38	-2.0	-90.61	350.40	4.90	-85.71
CC[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013315068	1	38	-2.0	-92.14	350.07	4.94	-87.20
CC[C@@H](NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300013315069	1	38	-2.0	-100.04	322.67	5.02	-95.02
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(CC3=CC=NC=C3)C(=O)[O-])N=C2)=N1	REAL300013315584	1	44	-2.0	-100.00	376.22	6.27	-93.73
O=C([O-])C1=CN=C(NC(CC2=CC=NC=C2)C(=O)[O-])C(Cl)=C1	REAL300013315610	0	32	-2.0	-100.83	307.79	7.61	-93.22
O=C([O-])C1=CC2=C(NC(CC3=CC=NC=C3)C(=O)[O-])N=CNC2=N1	REAL300013315749	0	35	-2.0	-121.41	320.82	8.00	-113.41
O=C([O-])CC1(NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)CCC1	REAL300013316043	0	42	-2.0	-95.48	368.25	5.94	-89.54
O=C([O-])CC1(NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)CCC1	REAL300013316044	1	42	-2.0	-96.05	368.15	5.92	-90.13
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3(CC(=O)[O-])CCC3)N=C2)=N1	REAL300013316045	1	42	-2.0	-102.05	340.77	6.01	-96.04
CC[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013316202	1	41	-2.0	-94.67	367.33	6.66	-88.01
CC[C@H](NC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300013316287	0	43	-2.0	-123.31	382.98	6.64	-116.67
CC[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013316349	0	38	-2.0	-90.23	350.43	4.90	-85.33
CC[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013316350	1	38	-2.0	-91.50	349.53	4.91	-86.59
CC[C@H](NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300013316351	1	38	-2.0	-99.88	322.12	5.00	-94.88
O=C([O-])C1=CC=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013316939	0	41	-2.0	-113.17	337.33	7.13	-106.04
O=C([O-])C1=CC=CN=C1N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300013317036	1	41	-2.0	-108.31	336.80	7.93	-100.38
O=C([O-])C1=CN=C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C(Cl)=C1	REAL300013317037	0	41	-2.0	-93.28	355.71	7.81	-85.47
O=C([O-])C1=CC=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013317076	0	41	-2.0	-113.17	337.33	7.13	-106.04
O=C([O-])C1=CC=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013317117	0	41	-2.0	-113.17	337.33	7.13	-106.04
O=C([O-])C1=CC2=C(N3CCC(N4CC(C(=O)[O-])CC4=O)CC3)N=CNC2=N1	REAL300013317230	0	44	-2.0	-121.35	361.92	8.86	-112.49
CC(CNC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013317275	1	41	-2.0	-87.58	364.30	6.33	-81.25
CC(CNC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300013317414	0	43	-2.0	-108.65	380.99	6.25	-102.40
CC(CNC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013317493	0	38	-2.0	-83.54	349.20	4.64	-78.90
CC(CNC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013317495	1	38	-2.0	-84.92	348.21	4.61	-80.31
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C)C(=O)[O-])N=C2)=N1	REAL300013317497	1	38	-2.0	-92.71	320.83	4.71	-88.00
CC(C)C(CNC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013317971	0	44	-2.0	-89.95	381.67	5.89	-84.06
CC(C)C(CNC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013317974	1	44	-2.0	-92.06	387.82	5.82	-86.24
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C(=O)[O-])C(C)C)N=C2)=N1	REAL300013317976	1	44	-2.0	-96.52	354.18	5.97	-90.55
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)N=C2)=N1	REAL300013318542	1	51	-2.0	-100.19	396.44	7.29	-92.90
CC(NC1=NC=C(C(=O)[O-])C=C1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318571	0	39	-2.0	-98.89	328.33	8.65	-90.24
CC(NC1=C2C=C(C(=O)[O-])N=C2NC=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318711	0	42	-2.0	-122.21	345.02	9.14	-113.07
CC(CNC1=CC=CC(C(=O)[O-])=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319337	0	36	-2.0	-115.24	304.64	8.55	-106.69
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)N=C2)=N1	REAL300013319437	1	48	-2.0	-97.53	388.15	8.20	-89.33
CC(CNC1=NC=CC=C1C(=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300013319469	0	36	-2.0	-126.96	299.43	9.18	-117.78
CC(CNC1=NC=C(C(=O)[O-])C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300013319470	0	36	-2.0	-97.59	324.27	9.35	-88.24
CC(CNC1=CC=CC(C(=O)[O-])=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319508	0	36	-2.0	-115.24	304.64	8.55	-106.69
CC(CNC1=CC=CC(C(=O)[O-])=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319556	0	36	-2.0	-115.24	304.64	8.55	-106.69
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319677	0	39	-2.0	-134.02	332.08	9.83	-124.19
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013319727	1	37	-2.0	-93.31	321.91	3.43	-89.88
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013319728	0	37	-2.0	-81.00	335.14	4.66	-76.34
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013319729	1	37	-2.0	-93.31	321.91	3.43	-89.88
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013319730	1	37	-2.0	-93.31	321.91	3.43	-89.88
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013319731	1	40	-2.0	-107.41	341.45	5.53	-101.88
CCC(C(=O)[O-])N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013319823	1	44	-2.0	-89.49	374.74	7.17	-82.32
CCC(C(=O)[O-])N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013319999	0	41	-2.0	-86.78	364.62	6.75	-80.03
CCC(C(=O)[O-])N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013320000	1	41	-2.0	-88.53	364.51	6.73	-81.80
CCC(C(=O)[O-])N(C)C1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300013320001	1	41	-2.0	-96.36	337.69	6.95	-89.41
O=C([O-])C1=CN=C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)C(Cl)=C1	REAL300013320759	0	30	-2.0	-88.00	281.53	6.75	-81.25
O=C([O-])C1=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)N=CNC2=N1	REAL300013320951	0	33	-2.0	-138.24	294.37	7.94	-130.30
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC(C(=O)[O-])C4=CC=CC=C43)N=C2)=N1	REAL300013321617	1	46	-2.0	-93.59	378.73	7.77	-85.82
O=C([O-])C1=CN=C(NC2CC(C(=O)[O-])C3=CC=CC=C32)C(Cl)=C1	REAL300013321649	0	34	-2.0	-91.60	310.48	9.26	-82.34
O=C([O-])C1=CC2=C(NC3CC(C(=O)[O-])C4=CC=CC=C43)N=CNC2=N1	REAL300013321848	0	37	-2.0	-127.68	325.42	9.72	-117.96
O=C([O-])[C@@H]1CC[C@H](NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)C1	REAL300013322277	0	42	-2.0	-86.37	373.05	5.89	-80.48
O=C([O-])[C@@H]1CC[C@H](NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)C1	REAL300013322280	1	42	-2.0	-84.40	372.96	5.87	-78.53
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3CC[C@@H](C(=O)[O-])C3)N=C2)=N1	REAL300013322282	1	42	-2.0	-93.70	346.04	5.99	-87.71
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(CCC(=O)[O-])CC3)N=C2)=N1	REAL300013323089	1	48	-2.0	-92.20	381.71	7.28	-84.92
O=C([O-])CCC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013323120	0	36	-2.0	-89.22	315.88	8.23	-80.99
O=C([O-])CCC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013323291	0	39	-2.0	-124.32	322.38	9.48	-114.84
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)N=C2)=N1	REAL300013323890	1	44	-2.0	-95.91	356.66	4.06	-91.85
O=C([O-])C1=CN=C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300013323921	0	32	-2.0	-91.95	287.84	5.15	-86.80
O=C([O-])C1=CC2=C(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)N=CNC2=N1	REAL300013324092	0	35	-2.0	-118.89	298.83	6.31	-112.58
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CCCC3)N=C2)=N1	REAL300013324645	1	45	-2.0	-98.25	363.17	6.71	-91.54
O=C([O-])C1=CC2=C(NCC3(C(=O)[O-])CCCC3)N=CNC2=N1	REAL300013324816	0	36	-2.0	-134.25	307.09	8.33	-125.92
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(CCC(=O)[O-])C3)N=C2)=N1	REAL300013325573	1	48	-2.0	-95.51	381.70	7.25	-88.26
O=C([O-])CCC1CCCN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013325604	0	36	-2.0	-92.25	315.85	8.20	-84.05
O=C([O-])CCC1CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013325775	0	39	-2.0	-119.19	322.37	9.45	-109.74
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C4CCC3C(C(=O)[O-])C4)N=C2)=N1	REAL300013326247	1	43	-2.0	-100.24	343.29	5.90	-94.34
O=C([O-])C1=CC2=C(N3C4CCC3C(C(=O)[O-])C4)N=CNC2=N1	REAL300013326409	0	34	-2.0	-134.96	285.84	8.56	-126.40
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)N=C2)=N1	REAL300013327073	1	46	-2.0	-100.36	375.28	7.81	-92.55
O=C([O-])C1=CN=C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)C(Cl)=C1	REAL300013327105	0	34	-2.0	-100.24	299.60	8.34	-91.90
O=C([O-])C1=CC2=C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)N=CNC2=N1	REAL300013327304	0	37	-2.0	-117.49	316.08	9.99	-107.50
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C(=O)[O-])CCC3C)N=C2)=N1	REAL300013327641	1	45	-2.0	-97.33	355.25	6.16	-91.17
CC1CCC(C(=O)[O-])CN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013327770	0	36	-2.0	-125.11	307.35	8.15	-116.96
O=C([O-])C1=CC=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013328349	0	37	-2.0	-112.99	317.34	8.93	-104.06
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)N=C2)=N1	REAL300013328445	1	49	-2.0	-97.85	402.05	8.53	-89.32
O=C([O-])C1=CC=CN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013328477	1	37	-2.0	-127.97	314.36	9.82	-118.15
O=C([O-])C1=CN=C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C(Cl)=C1	REAL300013328478	0	37	-2.0	-94.80	327.55	9.33	-85.47
O=C([O-])C1=CC=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013328519	0	37	-2.0	-112.99	317.34	8.93	-104.06
O=C([O-])C1=CC=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013328564	0	37	-2.0	-112.99	317.34	8.93	-104.06
O=C([O-])C1=CC2=C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)N=CNC2=N1	REAL300013328686	0	40	-2.0	-140.89	340.78	10.69	-130.20
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])C(C)C3)N=C2)=N1	REAL300013329418	1	45	-2.0	-93.13	361.75	6.42	-86.71
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CCC1C(=O)[O-]	REAL300013329589	0	36	-2.0	-121.25	294.99	8.70	-112.55
O=C([O-])C1(CNC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)CCC1	REAL300013330121	0	42	-2.0	-91.37	372.35	5.96	-85.41
O=C([O-])C1(CNC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)CCC1	REAL300013330124	1	42	-2.0	-92.46	372.24	5.94	-86.52
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CCC3)N=C2)=N1	REAL300013330126	1	42	-2.0	-97.37	344.86	6.05	-91.32
C[C@@H]1CCN(C2=CC=CC(C(=O)[O-])=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013330265	1	37	-2.0	-113.52	319.66	4.14	-109.38
C[C@@H]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013330267	0	37	-2.0	-86.23	338.57	4.68	-81.55
C[C@@H]1CCN(C2=CC=CC(C(=O)[O-])=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013330268	1	37	-2.0	-113.52	319.66	4.14	-109.38
C[C@@H]1CCN(C2=CC=CC(C(=O)[O-])=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013330269	1	37	-2.0	-113.52	319.66	4.14	-109.38
C[C@@H]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013330270	1	40	-2.0	-104.85	345.21	5.88	-98.97
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(CC(=O)[O-])C3CC3)N=C2)=N1	REAL300013330765	1	45	-2.0	-93.44	368.62	6.78	-86.66
O=C([O-])CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CC1	REAL300013330936	0	36	-2.0	-123.49	306.29	8.79	-114.70
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C)(C(=O)[O-])CC3)N=C2)=N1	REAL300013331477	1	45	-2.0	-92.20	354.50	6.14	-86.06
CC1(C(=O)[O-])CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013331648	0	36	-2.0	-122.05	295.00	8.29	-113.76
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC[C@H](CC(=O)[O-])CC(C)C)N=C2)=N1	REAL300013332350	1	50	-2.0	-94.16	396.51	7.36	-86.80
CC(C)C[C@H](CNC1=NC=C(C(=O)[O-])C=C1Cl)CC(=O)[O-]	REAL300013332381	0	38	-2.0	-98.81	321.83	8.44	-90.37
CC(C)C[C@H](CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)CC(=O)[O-]	REAL300013332559	0	41	-2.0	-130.14	340.55	8.94	-121.20
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=CC=C3C(=O)[O-])N=C2)=N1	REAL300013333180	1	42	-2.0	-104.46	356.02	6.92	-97.54
O=C([O-])C1=CN=C(NCC2=CC=CC=C2C(=O)[O-])C(Cl)=C1	REAL300013333205	0	30	-2.0	-103.79	286.79	8.19	-95.60
O=C([O-])C1=CC2=C(NCC3=CC=CC=C3C(=O)[O-])N=CNC2=N1	REAL300013333364	0	33	-2.0	-133.99	299.96	8.53	-125.46
COCC1(C(=O)[O-])CCN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C1	REAL300013334302	1	46	-2.0	-99.99	375.52	4.58	-95.41
COCC1(C(=O)[O-])CCN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013334333	0	34	-2.0	-100.55	299.57	6.31	-94.24
COCC1(C(=O)[O-])CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013334511	0	37	-2.0	-118.81	315.45	7.60	-111.21
O=C([O-])[C@H]1C[C@@H](NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2[N+](=O)[O-])C1	REAL300013334905	1	42	-2.0	-94.27	374.43	6.93	-87.34
O=C([O-])[C@H]1C[C@@H](NC2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C2=CC=CC=C2)C1	REAL300013335080	0	44	-2.0	-109.36	389.83	6.95	-102.41
O=C([O-])[C@H]1C[C@@H](NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)C1	REAL300013335169	0	39	-2.0	-87.14	356.56	5.22	-81.92
O=C([O-])[C@H]1C[C@@H](NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)C1	REAL300013335171	1	39	-2.0	-88.63	356.45	5.21	-83.42
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3C[C@@H](C(=O)[O-])C3)N=C2)=N1	REAL300013335173	1	39	-2.0	-94.45	329.49	5.30	-89.15
O=C([O-])CN1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013335917	0	35	-2.0	-94.90	308.38	5.68	-89.22
O=C([O-])CN1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013336091	1	38	-2.0	-123.20	322.02	6.05	-117.15
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=CC(C(=O)[O-])=N3)C2)C=N1	REAL300013336736	0	40	-2.0	-107.33	334.59	7.63	-99.70
CN1C=C(C2CC(C(=O)[O-])CN(C3=NC=CC=C3C(=O)[O-])C2)C=N1	REAL300013336841	1	40	-2.0	-139.31	335.08	8.45	-130.86
CN1C=C(C2CC(C(=O)[O-])CN(C3=NC=C(C(=O)[O-])C=C3Cl)C2)C=N1	REAL300013336842	0	40	-2.0	-95.51	353.02	8.30	-87.21
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=CC(C(=O)[O-])=N3)C2)C=N1	REAL300013336883	0	40	-2.0	-107.33	334.59	7.63	-99.70
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=CC(C(=O)[O-])=N3)C2)C=N1	REAL300013336926	0	40	-2.0	-107.33	334.59	7.63	-99.70
CN1C=C(C2CC(C(=O)[O-])CN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)C=N1	REAL300013337044	0	43	-2.0	-123.19	365.00	9.31	-113.88
O=C([O-])[C@@H]1CCCN(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)C1	REAL300013337429	0	42	-2.0	-94.03	369.16	5.76	-88.27
O=C([O-])[C@@H]1CCCN(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)C1	REAL300013337432	1	42	-2.0	-95.42	369.07	5.74	-89.68
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@@H](C(=O)[O-])C3)N=C2)=N1	REAL300013337434	1	42	-2.0	-98.45	341.66	5.84	-92.61
O=C([O-])C1=CC=CC(NCC2=NC3=C(COCC3)C(=O)[N-]2)=N1	REAL300013337670	1	34	-2.0	-99.24	296.64	2.18	-97.06
O=C([O-])C1=CC=CC(NCC2=NC3=C(COCC3)C(=O)[N-]2)=N1	REAL300013337673	1	34	-2.0	-99.24	296.64	2.18	-97.06
O=C([O-])C1=CC=CC(NCC2=NC3=C(COCC3)C(=O)[N-]2)=N1	REAL300013337674	1	34	-2.0	-99.24	296.64	2.18	-97.06
O=C([O-])C1=CC2=C(NCC3=NC4=C(COCC4)C(=O)[N-]3)N=CNC2=N1	REAL300013337675	1	37	-2.0	-117.88	325.31	3.37	-114.51
O=C([O-])[C@H]1CCCN(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)C1	REAL300013338078	0	42	-2.0	-88.05	370.52	5.23	-82.82
O=C([O-])[C@H]1CCCN(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)C1	REAL300013338081	1	42	-2.0	-90.08	370.42	5.21	-84.87
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@H](C(=O)[O-])C3)N=C2)=N1	REAL300013338083	1	42	-2.0	-96.01	342.98	5.28	-90.73
COC(=O)CCN(CC(=O)[O-])C1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300013338891	1	44	-2.0	-103.08	378.50	7.39	-95.69
COC(=O)CCN(CC(=O)[O-])C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013338922	0	32	-2.0	-105.95	294.22	6.32	-99.63
COC(=O)CCN(CC(=O)[O-])C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013339101	0	35	-2.0	-151.98	314.55	8.38	-143.60
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCCC3CC(=O)[O-])N=C2)=N1	REAL300013339497	1	45	-2.0	-100.01	358.32	5.50	-94.51
O=C([O-])CC1CCCCN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013339626	0	36	-2.0	-121.67	297.30	8.35	-113.32
O=C([O-])CC1=CC=C(OC2=CC=C(C(=O)[N-]C3=NN=CS3)C=N2)C=C1	REAL300013339781	1	35	-2.0	-90.73	338.71	4.79	-85.94
CC(C)(C)N1N=CC2=C1N=C(OC1=CC=C(CC(=O)[O-])C=C1)[N-]C2=O	REAL300013340144	1	41	-2.0	-93.65	355.25	4.90	-88.75
CN1N=CC2=C1N=C(OC1=CC=C(CC(=O)[O-])C=C1)[N-]C2=O	REAL300013340152	1	32	-2.0	-91.80	296.75	2.71	-89.09
CC1=C(C)C(=O)[N-]C(C2=CC=C(OC3=CC=C(CC(=O)[O-])C=C3)N=C2)=N1	REAL300013340172	1	41	-2.0	-91.17	360.18	6.35	-84.82
O=C([O-])CC1=CC=C(OC2=NC3=C(C=NN3C3=CC=CC=C3)C(=O)[N-]2)C=C1	REAL300013340193	1	39	-2.0	-95.45	353.70	6.28	-89.17
O=C([O-])CC1=CC=C(OC2=NC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300013340199	0	29	-2.0	-89.11	290.55	7.30	-81.81
C=CCN1N=CC2=C1N=C(OC1=CC=C(CC(=O)[O-])C=C1)[N-]C2=O	REAL300013340302	1	36	-2.0	-93.32	331.37	4.15	-89.17
O=C([O-])CC1=CC=C(OC2=C3C=C(C(=O)[O-])N=C3NC=N2)C=C1	REAL300013340360	0	32	-2.0	-119.38	302.20	7.69	-111.69
O=C([O-])C1=CC=C(F)C(OC2=CC=C(C(=O)[N-]C3=NN=CS3)C=N2)=C1	REAL300013340537	1	32	-2.0	-93.83	323.32	4.02	-89.81
CC(C)(C)N1N=CC2=C1N=C(OC1=CC(C(=O)[O-])=CC=C1F)[N-]C2=O	REAL300013340924	1	38	-2.0	-97.34	324.42	4.84	-92.50
CN1N=CC2=C1N=C(OC1=CC(C(=O)[O-])=CC=C1F)[N-]C2=O	REAL300013340932	1	29	-2.0	-95.65	272.51	2.75	-92.90
O=C([O-])C1=CC=C(F)C(OC2=NC3=C(C=NN3C3=CC=CC=C3)C(=O)[N-]2)=C1	REAL300013340977	1	36	-2.0	-116.57	332.72	6.81	-109.76
O=C([O-])C1=CC=C(F)C(OC2=NC=C(C(=O)[O-])C=C2Cl)=C1	REAL300013340984	0	26	-2.0	-92.14	275.15	6.53	-85.61
C=CCN1N=CC2=C1N=C(OC1=CC(C(=O)[O-])=CC=C1F)[N-]C2=O	REAL300013341096	1	33	-2.0	-110.52	310.46	4.66	-105.86
O=C([O-])C1=CC2=C(OC3=CC(C(=O)[O-])=CC=C3F)N=CNC2=N1	REAL300013341154	0	29	-2.0	-120.26	286.83	6.92	-113.34
O=C([O-])C1CC(NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2[N+](=O)[O-])C1	REAL300013341366	1	42	-2.0	-92.19	371.36	6.94	-85.25
O=C([O-])C1CC(NC2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C2=CC=CC=C2)C1	REAL300013341541	0	44	-2.0	-107.41	389.68	6.99	-100.42
O=C([O-])C1CC(NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)C1	REAL300013341630	0	39	-2.0	-85.66	356.41	5.27	-80.39
O=C([O-])C1CC(NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)C1	REAL300013341632	1	39	-2.0	-87.29	356.30	5.25	-82.04
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC(C(=O)[O-])C3)N=C2)=N1	REAL300013341634	1	39	-2.0	-93.69	328.94	5.35	-88.34
O=C([O-])[C@H]1C[C@H](NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2[N+](=O)[O-])C1	REAL300013341790	1	42	-2.0	-92.13	371.37	6.93	-85.20
O=C([O-])[C@H]1C[C@H](NC2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C2=CC=CC=C2)C1	REAL300013341965	0	44	-2.0	-107.45	389.67	7.00	-100.45
O=C([O-])[C@H]1C[C@H](NC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)C1	REAL300013342054	0	39	-2.0	-85.65	356.45	5.26	-80.39
O=C([O-])[C@H]1C[C@H](NC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)C1	REAL300013342056	1	39	-2.0	-87.45	356.30	5.25	-82.20
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3C[C@H](C(=O)[O-])C3)N=C2)=N1	REAL300013342058	1	39	-2.0	-93.62	329.38	5.33	-88.29
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=CC(C(=O)[O-])=C3)N=C2)=N1	REAL300013342801	1	42	-2.0	-100.02	362.42	6.89	-93.13
O=C([O-])C1=CC=CC(CNC2=NC=C(C(=O)[O-])C=C2Cl)=C1	REAL300013342826	0	30	-2.0	-97.13	293.17	8.17	-88.96
O=C([O-])C1=CC2=C(NCC3=CC(C(=O)[O-])=CC=C3)N=CNC2=N1	REAL300013342985	0	33	-2.0	-132.66	306.35	8.52	-124.14
COC(=O)C1CC2(C1)CN(C1=CC=CC(C(=O)[O-])=N1)CC2C(=O)[O-]	REAL300013343828	0	40	-2.0	-106.48	336.70	7.11	-99.37
COC(=O)C1CC2(C1)CN(C1=NC=CC=C1C(=O)[O-])CC2C(=O)[O-]	REAL300013343920	1	40	-2.0	-111.30	334.76	8.61	-102.69
COC(=O)C1CC2(C1)CN(C1=NC=C(C(=O)[O-])C=C1Cl)CC2C(=O)[O-]	REAL300013343921	0	40	-2.0	-97.50	348.77	8.14	-89.36
COC(=O)C1CC2(C1)CN(C1=CC=CC(C(=O)[O-])=N1)CC2C(=O)[O-]	REAL300013343993	0	40	-2.0	-106.48	336.70	7.11	-99.37
COC(=O)C1CC2(C1)CN(C1=C3C=C(C(=O)[O-])N=C3NC=N1)CC2C(=O)[O-]	REAL300013344101	0	43	-2.0	-130.15	364.30	9.53	-120.62
O=C([O-])CN(CC1CC1)C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013344416	0	42	-2.0	-95.80	381.80	8.09	-87.71
O=C([O-])CN(CC1CC1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013344417	1	42	-2.0	-96.67	381.70	8.08	-88.59
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(CC(=O)[O-])CC3CC3)N=C2)=N1	REAL300013344418	1	42	-2.0	-100.97	354.25	8.18	-92.79
CCC(CNC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013344817	1	44	-2.0	-95.84	380.82	7.13	-88.71
CCC(CNC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013345089	0	41	-2.0	-90.23	371.15	5.35	-84.88
CCC(CNC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013345092	1	41	-2.0	-90.07	366.02	5.36	-84.71
CCC(CNC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300013345094	1	41	-2.0	-97.34	343.65	5.44	-91.90
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])N=C2)=N1	REAL300013345832	1	45	-2.0	-101.14	380.50	7.99	-93.15
O=C([O-])C1=CN=C(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])C(Cl)=C1	REAL300013345858	0	33	-2.0	-102.40	312.70	9.37	-93.03
O=C([O-])C1=CC2=C(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])N=CNC2=N1	REAL300013345994	0	36	-2.0	-122.60	325.07	9.72	-112.88
CCC1(C(=O)[O-])CCCN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C1	REAL300013346931	1	48	-2.0	-101.05	372.58	7.00	-94.05
CCC1(C(=O)[O-])CCCN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013346962	0	36	-2.0	-97.77	306.61	8.27	-89.50
CCC1(C(=O)[O-])CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013347133	0	39	-2.0	-130.55	310.20	9.02	-121.53
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(O)(C(=O)[O-])C3)N=C2)=N1	REAL300013347648	1	43	-2.0	-98.67	351.35	3.40	-95.27
O=C([O-])C1=CN=C(N2CCCC(O)(C(=O)[O-])C2)C(Cl)=C1	REAL300013347671	0	31	-2.0	-95.36	285.02	4.49	-90.87
O=C([O-])C1=CC2=C(N3CCCC(O)(C(=O)[O-])C3)N=CNC2=N1	REAL300013347821	0	34	-2.0	-116.13	291.96	5.60	-110.53
COC1=CC=CC(C2=NOC([N-]C3CCCCN(CC(=O)[O-])C3=O)=N2)=C1	REAL300013347999	0	44	-2.0	-127.77	362.94	5.19	-122.58
O=C([O-])CN1CCCCC([N-]C2=NC(C3=CC(Cl)=CC(Cl)=C3)=NO2)C1=O	REAL300013348014	0	40	-2.0	-115.44	366.92	6.89	-108.55
CC1=CC=C(C2=NOC([N-]C3CCCCN(CC(=O)[O-])C3=O)=N2)C=C1	REAL300013348071	0	43	-2.0	-124.96	354.76	6.56	-118.40
O=C([O-])CN1CCCCC([N-]C2=NOC(C3=CC=CC=C3)=N2)C1=O	REAL300013348087	1	40	-2.0	-113.65	328.79	7.48	-106.17
COC1=CC=C(C2=NOC([N-]C3CCCCN(CC(=O)[O-])C3=O)=N2)C=C1	REAL300013348193	0	44	-2.0	-122.60	362.91	5.20	-117.40
O=C([O-])CN1CCCCC(NC2=CC=CC(C(=O)[O-])=N2)C1=O	REAL300013348244	0	37	-2.0	-115.64	312.93	6.59	-109.05
O=C([O-])CN1CCCCC([N-]C2=NC(C3=CC=CC=C3)=NO2)C1=O	REAL300013348259	0	40	-2.0	-124.85	333.46	5.89	-118.96
O=C([O-])CN1CCCCC([N-]C2=NC(C3=CC=CC(Cl)=C3)=NO2)C1=O	REAL300013348298	0	40	-2.0	-121.67	350.19	6.39	-115.28
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CCCCN(CC(=O)[O-])C3=O)N=C2)=N1	REAL300013348322	1	49	-2.0	-119.88	389.21	6.72	-113.16
O=C([O-])CN1CCCCC(NC2=NC=C(C(=O)[O-])C=C2Cl)C1=O	REAL300013348353	0	37	-2.0	-120.00	321.44	8.15	-111.85
O=C([O-])CN1CCCCC(NC2=CC=CC(C(=O)[O-])=N2)C1=O	REAL300013348381	0	37	-2.0	-115.64	312.93	6.59	-109.05
COC1=CC(F)=CC(C2=NOC([N-]C3CCCCN(CC(=O)[O-])C3=O)=N2)=C1	REAL300013348400	0	44	-2.0	-120.88	369.35	5.26	-115.62
O=C([O-])CN1CCCCC([N-]C2=NC(C3=CC=C(F)C=C3)=NO2)C1=O	REAL300013348402	0	40	-2.0	-116.98	339.87	5.97	-111.01
COC1=CC(C2=NOC([N-]C3CCCCN(CC(=O)[O-])C3=O)=N2)=CC(OC)=C1	REAL300013348411	0	48	-2.0	-127.87	392.40	4.50	-123.37
O=C([O-])CN1CCCCC(NC2=CC=CC(C(=O)[O-])=N2)C1=O	REAL300013348412	0	37	-2.0	-115.64	312.93	6.59	-109.05
O=C([O-])CN1CCCCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1=O	REAL300013348506	0	40	-2.0	-131.39	334.65	8.48	-122.91
O=C([O-])C1=CC=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1	REAL300013349104	0	38	-2.0	-117.69	322.62	6.61	-111.08
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3CCC4(CC(C(=O)[O-])C4)O3)N=C2)=N1	REAL300013349204	1	50	-2.0	-101.80	407.37	6.20	-95.60
O=C([O-])C1=CC=CN=C1NCC1CCC2(CC(C(=O)[O-])C2)O1	REAL300013349240	0	38	-2.0	-118.39	318.65	7.17	-111.22
O=C([O-])C1=CN=C(NCC2CCC3(CC(C(=O)[O-])C3)O2)C(Cl)=C1	REAL300013349241	0	38	-2.0	-99.01	338.12	7.48	-91.53
O=C([O-])C1=CC=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1	REAL300013349283	0	38	-2.0	-117.69	322.62	6.61	-111.08
O=C([O-])C1=CC=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1	REAL300013349331	0	38	-2.0	-117.69	322.62	6.61	-111.08
O=C([O-])C1=CC2=C(NCC3CCC4(CC(C(=O)[O-])C4)O3)N=CNC2=N1	REAL300013349457	0	41	-2.0	-140.70	351.29	7.82	-132.88
CCC1(C(=O)[O-])CCCN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C1	REAL300013350054	1	48	-2.0	-101.05	372.58	7.00	-94.05
CCC1(C(=O)[O-])CCCN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013350085	0	36	-2.0	-97.77	306.61	8.27	-89.50
CCC1(C(=O)[O-])CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013350256	0	39	-2.0	-130.55	310.20	9.02	-121.53
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)N=C2)=N1	REAL300013350845	1	46	-2.0	-96.60	375.10	7.16	-89.44
O=C([O-])C1=CN=C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(Cl)=C1	REAL300013350875	0	34	-2.0	-91.60	300.19	8.00	-83.60
O=C([O-])C1=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)N=CNC2=N1	REAL300013351044	0	37	-2.0	-136.71	307.41	9.01	-127.70
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCCCCCCC(=O)[O-])N=C2)=N1	REAL300013351829	1	50	-2.0	-94.41	410.65	7.92	-86.49
O=C([O-])CCCCCCCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013351860	0	38	-2.0	-92.45	341.40	9.21	-83.24
O=C([O-])CCCCCCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013352038	0	41	-2.0	-124.78	354.58	9.54	-115.24
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCCCCCC(=O)[O-])N=C2)=N1	REAL300013352553	1	47	-2.0	-95.16	389.15	7.14	-88.02
O=C([O-])CCCCCCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013352576	0	35	-2.0	-93.59	319.90	8.43	-85.16
O=C([O-])CCCCCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013352726	0	38	-2.0	-122.78	333.08	8.76	-114.02
CN(CCCC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013352859	1	44	-2.0	-93.47	386.87	7.88	-85.59
CN(CCCC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013353131	0	41	-2.0	-95.65	371.25	6.82	-88.83
CN(CCCC(=O)[O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013353134	1	41	-2.0	-96.53	371.15	6.81	-89.72
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)CCCC(=O)[O-])N=C2)=N1	REAL300013353136	1	41	-2.0	-100.67	343.75	6.91	-93.76
O=C([O-])C1CCCC1NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013353639	0	42	-2.0	-100.31	369.73	6.05	-94.26
O=C([O-])C1CCCC1NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013353642	1	42	-2.0	-100.73	369.53	6.03	-94.70
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CCCC3C(=O)[O-])N=C2)=N1	REAL300013353644	1	42	-2.0	-107.88	341.80	6.20	-101.68
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(C)(C(=O)[O-])C3)N=C2)=N1	REAL300013354254	1	45	-2.0	-100.08	356.44	6.61	-93.47
CC1(C(=O)[O-])CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013354425	0	36	-2.0	-117.13	297.64	8.69	-108.44
COCC1(C(=O)[O-])CCCN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C1	REAL300013355092	1	49	-2.0	-102.22	387.13	6.48	-95.74
COCC1(C(=O)[O-])CCCN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013355127	0	37	-2.0	-97.98	321.99	7.29	-90.69
COCC1(C(=O)[O-])CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013355331	0	40	-2.0	-130.55	326.39	8.65	-121.90
O=C([O-])C1=CC=CC(N2CC[C@H](C3=CC=CC=C3)[C@H]([N-]C(=O)C(F)(F)F)C2)=N1	REAL300013355623	1	44	-2.0	-114.06	373.39	7.92	-106.14
O=C([O-])C1=CC=CC(N2CC[C@H](C3=CC=CC=C3)[C@H]([N-]C(=O)C(F)(F)F)C2)=N1	REAL300013355625	1	44	-2.0	-114.06	373.39	7.92	-106.14
O=C([O-])C1=CC=CC(N2CC[C@H](C3=CC=CC=C3)[C@H]([N-]C(=O)C(F)(F)F)C2)=N1	REAL300013355626	1	44	-2.0	-114.06	373.39	7.92	-106.14
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013356544	0	42	-2.0	-93.47	370.43	6.19	-87.28
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013356547	1	42	-2.0	-91.61	370.32	6.17	-85.44
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3CCC[C@H]3C(=O)[O-])N=C2)=N1	REAL300013356549	1	42	-2.0	-99.41	343.45	6.27	-93.14
COCCN(CCC(=O)[O-])C1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300013357688	1	45	-2.0	-101.09	375.44	6.21	-94.88
COCCN(CCC(=O)[O-])C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013357711	0	33	-2.0	-97.00	294.38	5.44	-91.56
COCCN(CCC(=O)[O-])C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013357863	0	36	-2.0	-131.17	322.92	7.22	-123.95
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)=N1	REAL300013358347	1	42	-2.0	-111.41	376.53	6.77	-104.64
O=C([O-])C1=CC=CN=C1NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013358348	1	42	-2.0	-122.81	372.57	7.30	-115.51
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)=N1	REAL300013358349	1	42	-2.0	-111.41	376.53	6.77	-104.64
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)=N1	REAL300013358350	1	42	-2.0	-111.41	376.53	6.77	-104.64
O=C([O-])C1=CC=CC(NCCNC(=O)C2=NC=CC=C2[O-])=N1	REAL300013358582	1	34	-2.0	-110.56	308.26	3.06	-107.50
O=C([O-])C1=CC=CN=C1NCCNC(=O)C1=NC=CC=C1[O-]	REAL300013358583	1	34	-2.0	-110.91	304.30	3.60	-107.31
O=C([O-])C1=CN=C(NCCNC(=O)C2=NC=CC=C2[O-])C(Cl)=C1	REAL300013358584	1	34	-2.0	-97.35	323.76	3.93	-93.42
O=C([O-])C1=CC=CC(NCCNC(=O)C2=NC=CC=C2[O-])=N1	REAL300013358585	1	34	-2.0	-110.56	308.26	3.06	-107.50
O=C([O-])C1=CC=CC(NCCNC(=O)C2=NC=CC=C2[O-])=N1	REAL300013358586	1	34	-2.0	-110.56	308.26	3.06	-107.50
O=C([O-])C1=CC2=C(NCCNC(=O)C3=NC=CC=C3[O-])N=CNC2=N1	REAL300013358587	1	37	-2.0	-131.94	336.94	4.26	-127.68
O=C([O-])C1=CC=CC(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)=N1	REAL300013359396	1	40	-2.0	-99.79	335.56	7.04	-92.75
O=C([O-])C1=CN=C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)C(Cl)=C1	REAL300013359398	1	40	-2.0	-86.28	353.79	7.72	-78.56
O=C([O-])C1=CC=CC(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)=N1	REAL300013359399	1	40	-2.0	-99.79	335.56	7.04	-92.75
O=C([O-])C1=CC=CC(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)=N1	REAL300013359400	1	40	-2.0	-99.79	335.56	7.04	-92.75
O=C([O-])C1=CC2=C(N3CCC(C(=O)C4=CC=C([O-])C=C4)CC3)N=CNC2=N1	REAL300013359401	1	43	-2.0	-119.77	361.10	8.83	-110.94
O=C([O-])C1=CC=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013360474	0	39	-2.0	-123.93	325.96	7.93	-116.00
O=C([O-])C1=CC=CN=C1N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013360562	1	39	-2.0	-123.47	323.51	8.75	-114.72
O=C([O-])C1=CN=C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300013360563	0	39	-2.0	-98.49	336.50	8.37	-90.12
O=C([O-])C1=CC=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013360598	0	39	-2.0	-123.93	325.96	7.93	-116.00
O=C([O-])C1=CC=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013360635	0	39	-2.0	-123.93	325.96	7.93	-116.00
O=C([O-])C1=CC2=C(N3C[C@H]4C5=CC=CC=C5OC[C@@]4(C(=O)[O-])C3)N=CNC2=N1	REAL300013360737	0	42	-2.0	-122.95	354.54	9.63	-113.32
O=C([O-])C1=CC=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=N1	REAL300013361259	0	35	-2.0	-103.77	324.74	9.10	-94.67
O=C([O-])C1=CN=C(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])C(Cl)=C1	REAL300013361341	0	35	-2.0	-99.14	340.68	10.08	-89.06
O=C([O-])C1=CC=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=N1	REAL300013361367	0	35	-2.0	-103.77	324.74	9.10	-94.67
O=C([O-])C1=CC=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=N1	REAL300013361391	0	35	-2.0	-103.77	324.74	9.10	-94.67
O=C([O-])C1=CC2=C(NC(CC3=CC=C([N+](=O)[O-])C=C3)C(=O)[O-])N=CNC2=N1	REAL300013361480	0	38	-2.0	-121.03	353.29	10.40	-110.63
COCC1(C(=O)[O-])CCN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)CC1	REAL300013362544	1	49	-2.0	-94.87	386.59	5.30	-89.57
COCC1(C(=O)[O-])CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013362579	0	37	-2.0	-91.65	320.26	6.40	-85.25
COCC1(C(=O)[O-])CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013362783	0	40	-2.0	-124.02	327.20	7.46	-116.56
O=C([O-])C12CC(NC3=CC=C(S(=O)(=O)[N-]C4=CC(F)=CC(F)=C4)C=N3)(C1)C2	REAL300013363175	0	40	-2.0	-85.37	361.80	5.33	-80.04
O=C([O-])C12CC(NC3=CC=C(S(=O)(=O)[N-]C4=CC=C(F)C(F)=C4)C=N3)(C1)C2	REAL300013363178	1	40	-2.0	-87.06	362.00	5.34	-81.72
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC34CC(C(=O)[O-])(C3)C4)N=C2)=N1	REAL300013363180	1	40	-2.0	-95.59	334.31	5.41	-90.18
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(CC(=O)[O-])CCCCC3)N=C2)=N1	REAL300013364151	1	51	-2.0	-99.54	386.02	7.48	-92.06
O=C([O-])CC1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CCCCC1	REAL300013364185	0	39	-2.0	-100.01	316.81	8.78	-91.23
O=C([O-])CC1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCCCC1	REAL300013364387	0	42	-2.0	-129.39	329.70	9.13	-120.26
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3CC[C@@H](C(=O)[O-])CC3)N=C2)=N1	REAL300013365098	1	45	-2.0	-99.07	359.00	6.76	-92.31
O=C([O-])C1=CC2=C(N[C@H]3CC[C@@H](C(=O)[O-])CC3)N=CNC2=N1	REAL300013365269	0	36	-2.0	-137.81	303.17	8.48	-129.33
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC[C@H]3CC[C@H](C(=O)[O-])CC3)N=C2)=N1	REAL300013365909	1	48	-2.0	-96.18	384.80	7.27	-88.91
O=C([O-])C1=CN=C(NC[C@@H]2CC[C@@H](C(=O)[O-])CC2)C(Cl)=C1	REAL300013365940	0	36	-2.0	-93.29	315.55	8.57	-84.72
O=C([O-])C1=CC2=C(NC[C@@H]3CC[C@@H](C(=O)[O-])CC3)N=CNC2=N1	REAL300013366111	0	39	-2.0	-128.56	327.40	8.88	-119.68
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(CC(=O)[O-])CC3)N=C2)=N1	REAL300013366625	1	45	-2.0	-92.16	359.29	6.50	-85.66
O=C([O-])CC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013366796	0	36	-2.0	-128.53	300.07	8.70	-119.83
N#CC1=CC2=C(CCN(C3=NC=C(C(=O)[O-])C=C3Cl)C2)[N-]C1=O	REAL300013367064	0	32	-2.0	-97.25	297.87	4.15	-93.10
N#CC1=CC2=C(CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)[N-]C1=O	REAL300013367065	0	35	-2.0	-118.74	315.03	5.83	-112.91
C[C@H](CC(=O)[O-])NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013367137	1	41	-2.0	-96.34	366.99	6.57	-89.77
C[C@H](CC(=O)[O-])NC1=NC2=CC=CC=C2N=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013367276	0	43	-2.0	-122.72	382.62	6.58	-116.14
C[C@H](CC(=O)[O-])NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013367355	0	38	-2.0	-91.05	348.43	4.83	-86.22
C[C@H](CC(=O)[O-])NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013367357	1	38	-2.0	-92.98	348.31	4.82	-88.16
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H](C)CC(=O)[O-])N=C2)=N1	REAL300013367359	1	38	-2.0	-98.64	320.88	4.90	-93.74
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(OCC(=O)[O-])CC3)N=C2)=N1	REAL300013368326	1	46	-2.0	-93.06	376.04	5.92	-87.14
O=C([O-])COC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013368357	0	34	-2.0	-89.73	310.21	6.87	-82.86
O=C([O-])COC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013368535	0	37	-2.0	-123.21	316.62	8.11	-115.10
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3CCC[C@@H](C(=O)[O-])C3)N=C2)=N1	REAL300013369160	1	45	-2.0	-94.34	363.38	6.44	-87.90
O=C([O-])C1=CC2=C(N[C@H]3CCC[C@@H](C(=O)[O-])C3)N=CNC2=N1	REAL300013369331	0	36	-2.0	-125.94	308.93	8.20	-117.74
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CCCC(C(=O)[O-])C3)N=C2)=N1	REAL300013369835	1	45	-2.0	-94.17	358.46	6.74	-87.43
O=C([O-])C1=CC2=C(NC3CCCC(C(=O)[O-])C3)N=CNC2=N1	REAL300013370006	0	36	-2.0	-131.43	304.48	8.52	-122.91
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CCCOC3)N=C2)=N1	REAL300013370796	1	46	-2.0	-96.27	366.98	5.00	-91.27
O=C([O-])C1=CN=C(NCC2(C(=O)[O-])CCCOC2)C(Cl)=C1	REAL300013370827	0	34	-2.0	-94.55	297.74	6.29	-88.26
O=C([O-])C1=CC2=C(NCC3(C(=O)[O-])CCCOC3)N=CNC2=N1	REAL300013371005	0	37	-2.0	-131.54	310.92	6.62	-124.92
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=CC(C(=O)[O-])=N1)C2	REAL300013371664	0	40	-2.0	-113.97	306.70	8.22	-105.75
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC4CCC3(C(=O)[O-])C4(C)C)N=C2)=N1	REAL300013371765	1	52	-2.0	-102.61	390.55	8.36	-94.25
CC1(C)C2CCC1(C(=O)[O-])C(NC1=NC=CC=C1C(=O)[O-])C2	REAL300013371801	0	40	-2.0	-132.83	304.00	9.19	-123.64
CC1(C)C2CCC1(C(=O)[O-])C(NC1=NC=C(C(=O)[O-])C=C1Cl)C2	REAL300013371802	0	40	-2.0	-101.26	321.77	9.73	-91.53
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=CC(C(=O)[O-])=N1)C2	REAL300013371842	0	40	-2.0	-113.97	306.70	8.22	-105.75
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=CC(C(=O)[O-])=N1)C2	REAL300013371890	0	40	-2.0	-113.97	306.70	8.22	-105.75
CC1(C)C2CCC1(C(=O)[O-])C(NC1=C3C=C(C(=O)[O-])N=C3NC=N1)C2	REAL300013372013	0	43	-2.0	-126.00	336.43	9.78	-116.22
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CCOC3)N=C2)=N1	REAL300013372592	1	43	-2.0	-97.01	351.67	4.04	-92.97
O=C([O-])C1=CN=C(NCC2(C(=O)[O-])CCOC2)C(Cl)=C1	REAL300013372615	0	31	-2.0	-93.51	282.42	5.33	-88.18
O=C([O-])C1=CC2=C(NCC3(C(=O)[O-])CCOC3)N=CNC2=N1	REAL300013372765	0	34	-2.0	-134.23	295.60	5.67	-128.56
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(CC3CCCCC3)C(=O)[O-])N=C2)=N1	REAL300013373282	1	51	-2.0	-101.51	403.24	8.17	-93.34
O=C([O-])C1=CN=C(NC(CC2CCCCC2)C(=O)[O-])C(Cl)=C1	REAL300013373311	0	39	-2.0	-102.45	334.41	9.60	-92.85
O=C([O-])C1=CC2=C(NC(CC3CCCCC3)C(=O)[O-])N=CNC2=N1	REAL300013373457	0	42	-2.0	-122.74	347.84	9.89	-112.85
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@@H](CC3CCCCC3)C(=O)[O-])N=C2)=N1	REAL300013373959	1	51	-2.0	-101.49	403.24	8.17	-93.32
O=C([O-])C1=CN=C(N[C@@H](CC2CCCCC2)C(=O)[O-])C(Cl)=C1	REAL300013373988	0	39	-2.0	-102.66	334.66	9.55	-93.11
O=C([O-])C1=CC2=C(N[C@@H](CC3CCCCC3)C(=O)[O-])N=CNC2=N1	REAL300013374134	0	42	-2.0	-122.48	347.03	9.91	-112.57
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H](CC3CCCCC3)C(=O)[O-])N=C2)=N1	REAL300013374598	1	51	-2.0	-101.46	403.04	8.23	-93.23
O=C([O-])C1=CN=C(N[C@H](CC2CCCCC2)C(=O)[O-])C(Cl)=C1	REAL300013374627	0	39	-2.0	-102.48	334.45	9.59	-92.89
O=C([O-])C1=CC2=C(N[C@H](CC3CCCCC3)C(=O)[O-])N=CNC2=N1	REAL300013374773	0	42	-2.0	-122.73	347.89	9.89	-112.84
O=C([O-])[C@H]1CCCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013375040	0	42	-2.0	-108.50	366.28	6.08	-102.42
O=C([O-])[C@H]1CCCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013375041	1	42	-2.0	-105.76	366.17	6.06	-99.70
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC[C@@H]3C(=O)[O-])N=C2)=N1	REAL300013375042	1	42	-2.0	-111.57	339.26	6.18	-105.39
O=C([O-])C1CCCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013375400	0	42	-2.0	-108.54	366.26	6.08	-102.46
O=C([O-])C1CCCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013375401	1	42	-2.0	-110.45	366.13	6.06	-104.39
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCCC3C(=O)[O-])N=C2)=N1	REAL300013375402	1	42	-2.0	-111.43	338.74	6.16	-105.27
O=C([O-])C1CCCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013375760	0	42	-2.0	-108.54	366.26	6.08	-102.46
O=C([O-])C1CCCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013375761	1	42	-2.0	-110.45	366.13	6.06	-104.39
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCCC3C(=O)[O-])N=C2)=N1	REAL300013375762	1	42	-2.0	-111.43	338.74	6.16	-105.27
O=C([O-])[C@@H]1CCCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013376120	0	42	-2.0	-108.99	366.28	6.08	-102.91
O=C([O-])[C@@H]1CCCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013376121	1	42	-2.0	-106.86	366.17	6.06	-100.80
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC[C@H]3C(=O)[O-])N=C2)=N1	REAL300013376122	1	42	-2.0	-111.64	339.25	6.17	-105.47
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(C)C3C(=O)[O-])N=C2)=N1	REAL300013376550	1	45	-2.0	-110.92	353.31	6.59	-104.33
CC1CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1C(=O)[O-]	REAL300013376679	0	36	-2.0	-134.78	297.51	8.20	-126.58
CC(C)(CC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1)C(=O)[O-]	REAL300013377693	0	42	-2.0	-104.17	352.93	9.70	-94.47
CC(C)(CC1=CC=C(CNC2=NC=CC=C2C(=O)[O-])C=C1)C(=O)[O-]	REAL300013377797	0	42	-2.0	-99.96	348.34	10.25	-89.71
CC(C)(CC1=CC=C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C=C1)C(=O)[O-]	REAL300013377798	0	42	-2.0	-91.39	367.80	10.57	-80.82
CC(C)(CC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1)C(=O)[O-]	REAL300013377839	0	42	-2.0	-104.17	352.93	9.70	-94.47
CC(C)(CC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1)C(=O)[O-]	REAL300013377883	0	42	-2.0	-104.17	352.93	9.70	-94.47
CC(C)(CC1=CC=C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C=C1)C(=O)[O-]	REAL300013378000	0	45	-2.0	-126.99	381.55	10.90	-116.09
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N1)C2	REAL300013378549	0	40	-2.0	-91.03	368.42	5.93	-85.10
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N1)C2	REAL300013378552	1	40	-2.0	-89.24	368.32	5.92	-83.32
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)N=C2)=N1	REAL300013378554	1	40	-2.0	-97.57	340.95	6.02	-91.55
O=C([O-])C1(CNC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2[N+](=O)[O-])CC1	REAL300013378735	1	42	-2.0	-100.73	375.48	7.27	-93.46
O=C([O-])C1(CNC2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C2=CC=CC=C2)CC1	REAL300013378910	0	44	-2.0	-123.32	390.48	7.20	-116.12
O=C([O-])C1(CNC2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)CC1	REAL300013378999	0	39	-2.0	-91.61	357.82	5.58	-86.03
O=C([O-])C1(CNC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)CC1	REAL300013379001	1	39	-2.0	-92.99	357.70	5.55	-87.44
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CC3)N=C2)=N1	REAL300013379003	1	39	-2.0	-97.58	330.32	5.66	-91.92
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C(=O)[O-])C4(CCC4)C3)N=C2)=N1	REAL300013379952	1	46	-2.0	-97.27	367.35	6.62	-90.65
O=C([O-])C1=CN=C(N2CC(C(=O)[O-])C3(CCC3)C2)C(Cl)=C1	REAL300013379982	0	34	-2.0	-93.79	288.43	7.38	-86.41
O=C([O-])C1=CC2=C(N3CC(C(=O)[O-])C4(CCC4)C3)N=CNC2=N1	REAL300013380151	0	37	-2.0	-138.50	305.98	8.83	-129.67
O=C([O-])C1=CC=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013380960	0	30	-2.0	-94.70	272.65	5.58	-89.12
O=C([O-])C1=CC=CN=C1N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013381097	1	30	-2.0	-120.53	271.99	7.06	-113.47
O=C([O-])C1=CN=C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)C(Cl)=C1	REAL300013381098	0	30	-2.0	-86.69	275.46	5.61	-81.08
O=C([O-])C1=CC=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013381138	0	30	-2.0	-94.70	272.65	5.58	-89.12
O=C([O-])C1=CC=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013381186	0	30	-2.0	-94.70	272.65	5.58	-89.12
O=C([O-])C1=CC2=C(N3CCC(C(=O)[O-])(C(F)(F)F)C3)N=CNC2=N1	REAL300013381309	0	33	-2.0	-122.12	299.79	8.04	-114.08
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCOC(C)(C(=O)[O-])C3)N=C2)=N1	REAL300013381864	1	43	-2.0	-99.86	349.44	5.05	-94.81
CC1(C(=O)[O-])CN(C2=NC=C(C(=O)[O-])C=C2Cl)CCO1	REAL300013381887	0	31	-2.0	-95.29	283.21	6.04	-89.25
CC1(C(=O)[O-])CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CCO1	REAL300013382037	0	34	-2.0	-139.92	290.21	7.23	-132.69
O=C([O-])C1CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2[N+](=O)[O-])C1	REAL300013382507	1	39	-2.0	-91.58	349.50	5.25	-86.33
O=C([O-])C1CN(C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C2=CC=CC=C2)C1	REAL300013382635	0	41	-2.0	-115.43	366.77	5.02	-110.41
O=C([O-])C1CN(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)C1	REAL300013382709	0	36	-2.0	-88.71	335.70	3.61	-85.10
O=C([O-])C1CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)C1	REAL300013382711	1	36	-2.0	-90.50	335.61	3.58	-86.92
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C(=O)[O-])C3)N=C2)=N1	REAL300013382713	1	36	-2.0	-94.24	308.27	3.71	-90.53
COC1CC(C(=O)[O-])CN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C1	REAL300013383712	1	46	-2.0	-97.37	374.16	4.82	-92.55
COC1CC(C(=O)[O-])CN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013383743	0	34	-2.0	-94.50	307.82	5.91	-88.59
COC1CC(C(=O)[O-])CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013383921	0	37	-2.0	-117.93	314.15	7.16	-110.77
O=C([O-])CN1C(=O)NC2(CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C1=O	REAL300013384524	0	39	-2.0	-104.48	335.47	4.77	-99.71
O=C([O-])CN1C(=O)NC2(CCN(C3=NC=CC=C3C(=O)[O-])CC2)C1=O	REAL300013384605	1	39	-2.0	-103.90	335.19	5.63	-98.27
O=C([O-])CN1C(=O)NC2(CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)C1=O	REAL300013384606	0	39	-2.0	-93.85	353.88	5.46	-88.39
O=C([O-])CN1C(=O)NC2(CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C1=O	REAL300013384639	0	39	-2.0	-104.48	335.47	4.77	-99.71
O=C([O-])CN1C(=O)NC2(CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C1=O	REAL300013384672	0	39	-2.0	-104.48	335.47	4.77	-99.71
O=C([O-])CN1C(=O)NC2(CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)C1=O	REAL300013384768	0	42	-2.0	-131.46	360.88	6.59	-124.87
O=C([O-])C1CCN(C2=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N2)C1	REAL300013386080	0	39	-2.0	-91.93	351.33	4.84	-87.09
O=C([O-])C1CCN(C2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N2)C1	REAL300013386082	1	39	-2.0	-91.01	351.21	5.07	-85.94
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])C3)N=C2)=N1	REAL300013386084	1	39	-2.0	-95.01	323.84	5.19	-89.82
CCCC[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013386679	0	44	-2.0	-90.64	393.16	6.49	-84.15
CCCC[C@@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013386680	1	44	-2.0	-91.98	393.31	6.43	-85.55
CCCC[C@@H](NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300013386681	1	44	-2.0	-100.16	365.90	6.52	-93.64
CCCC[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013387061	0	44	-2.0	-90.19	393.43	6.44	-83.75
CCCC[C@H](NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013387062	1	44	-2.0	-91.55	392.54	6.46	-85.09
CCCC[C@H](NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300013387063	1	44	-2.0	-100.05	365.13	6.55	-93.50
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC=C(S(=O)(=O)[N-]C3=CC(F)=CC(F)=C3)C=N1)C2	REAL300013387564	0	40	-2.0	-86.87	367.68	5.95	-80.92
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C(F)=C3)C=N1)C2	REAL300013387567	1	40	-2.0	-88.85	367.58	5.94	-82.91
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)N=C2)=N1	REAL300013387569	1	40	-2.0	-95.87	340.22	6.03	-89.84
CC(CCC(=O)[O-])NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300013387914	1	44	-2.0	-95.21	387.31	7.18	-88.03
CC(CCC(=O)[O-])NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1	REAL300013388186	0	41	-2.0	-87.24	370.28	5.53	-81.71
CC(CCC(=O)[O-])NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1	REAL300013388189	1	41	-2.0	-89.09	370.22	5.51	-83.58
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(C)CCC(=O)[O-])N=C2)=N1	REAL300013388191	1	41	-2.0	-94.40	342.88	5.59	-88.81
CC1=CSC([N-]C(=O)CS(=O)C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013391022	1	34	-2.0	-118.29	321.83	4.28	-114.01
CC1=CSC([N-]C(=O)CS(=O)C(CC(C)C)C(=O)[O-])=N1	REAL300013391023	1	36	-2.0	-100.57	327.65	3.23	-97.34
CC1=CSC([N-]C(=O)CS(=O)C(C(=O)[O-])C(C)C)=N1	REAL300013391024	1	33	-2.0	-99.71	303.70	2.75	-96.96
CCCC(C(=O)[O-])S(=O)CC(=O)[N-]C1=NC(C)=CS1	REAL300013391025	1	33	-2.0	-99.03	305.00	2.89	-96.14
COC1=CC=C(NC(=O)N2CCC(C(=O)[O-])CC2)C=C1[N-]S(C)(=O)=O	REAL300013395806	1	44	-2.0	-99.17	366.81	2.96	-96.21
COC1=CC=C(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1[N-]S(C)(=O)=O	REAL300013395807	1	44	-2.0	-96.98	385.11	3.23	-93.75
COC1=CC=C(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1[N-]S(C)(=O)=O	REAL300013395808	1	44	-2.0	-99.09	389.02	2.58	-96.51
COC1=CC=C(NC(=O)NC(C)(C)CCC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395809	1	46	-2.0	-90.12	373.31	1.27	-88.85
COC1=CC=C(NC(=O)N2CCOC(C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395810	1	42	-2.0	-98.66	356.82	1.38	-97.28
COC1=CC=C(NC(=O)N(C)CCC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395811	1	40	-2.0	-95.25	342.85	1.90	-93.35
COC1=CC=C(NC(=O)NC2CCC(C(=O)[O-])CC2)C=C1[N-]S(C)(=O)=O	REAL300013395812	1	47	-2.0	-104.65	385.91	2.64	-102.01
COC1=CC=C(NC(=O)NCCCCC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395813	1	43	-2.0	-98.79	373.04	1.22	-97.57
COC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1[N-]S(C)(=O)=O	REAL300013395814	1	44	-2.0	-98.84	384.40	2.41	-96.43
COC1=CC=C(NC(=O)NCCC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395815	1	37	-2.0	-98.60	330.04	-0.35	-98.95
COC1=CC=C(NC(=O)NCCCCCC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395816	1	46	-2.0	-97.61	394.54	2.00	-95.61
COC1=CC=C(NC(=O)NCC(C)(O)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395817	1	41	-2.0	-96.68	358.55	-2.01	-98.69
COC1=CC=C(NC(=O)NCC(C)(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395818	1	43	-2.0	-94.09	360.57	0.98	-93.11
COC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395819	1	44	-2.0	-96.91	369.70	2.50	-94.41
COC1=CC=C(NC(=O)N(C)CC(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395820	1	43	-2.0	-96.55	356.32	2.15	-94.40
COC1=CC=C(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395821	1	47	-2.0	-103.64	386.86	3.49	-100.15
COC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1[N-]S(C)(=O)=O	REAL300013395822	1	47	-2.0	-99.04	378.77	3.15	-95.89
COC1=CC=C(NC(=O)NCCCC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395823	1	40	-2.0	-96.60	351.54	0.44	-96.16
COC1=CC=C(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395824	1	47	-2.0	-99.58	380.35	3.39	-96.19
COC1=CC=C(NC(=O)NCCC(C)(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395825	1	46	-2.0	-96.96	384.83	1.32	-95.64
CCC(CC)(CNC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013395826	1	49	-2.0	-103.88	392.43	2.29	-101.59
COC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCC2)C=C1[N-]S(C)(=O)=O	REAL300013395827	1	44	-2.0	-104.09	370.95	2.08	-102.01
COC1=CC=C(NC(=O)NCC(C)C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395828	1	40	-2.0	-98.52	347.72	0.39	-98.13
COC1=CC=C(NC(=O)NCC(C(=O)[O-])C(C)C)C=C1[N-]S(C)(=O)=O	REAL300013395829	1	46	-2.0	-94.89	374.95	1.58	-93.31
COC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395830	1	44	-2.0	-96.56	372.97	1.71	-94.85
COC1=CC=C(NC(=O)N2CCC(CCC(=O)[O-])CC2)C=C1[N-]S(C)(=O)=O	REAL300013395831	1	50	-2.0	-98.95	406.12	4.34	-94.61
COC1=CC=C(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395832	1	46	-2.0	-95.99	382.53	1.23	-94.76
COC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCC2)C=C1[N-]S(C)(=O)=O	REAL300013395833	1	47	-2.0	-96.71	385.23	2.38	-94.33
COC1=CC=C(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C=C1[N-]S(C)(=O)=O	REAL300013395834	1	47	-2.0	-100.26	377.07	3.66	-96.60
COC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCC2)C=C1[N-]S(C)(=O)=O	REAL300013395835	1	44	-2.0	-100.85	372.03	1.79	-99.06
COC1=CC=C(NC(=O)NCC(CC(=O)[O-])C2CC2)C=C1[N-]S(C)(=O)=O	REAL300013395836	1	47	-2.0	-104.73	397.56	2.49	-102.24
COC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1[N-]S(C)(=O)=O	REAL300013395837	1	47	-2.0	-99.04	378.77	3.15	-95.89
COC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C=C1[N-]S(C)(=O)=O	REAL300013395838	1	41	-2.0	-94.53	352.27	1.26	-93.27
COC1=CC=C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395839	1	44	-2.0	-109.44	382.91	2.66	-106.78
COC1=CC=C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395840	1	41	-2.0	-96.88	356.70	1.04	-95.84
COC1=CC=C(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395841	1	44	-2.0	-101.41	365.66	2.88	-98.53
COC1=CC=C(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395842	1	44	-2.0	-104.85	366.87	2.95	-101.90
COC1=CC=C(NC(=O)NC2CC(C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395843	1	41	-2.0	-97.04	357.01	1.01	-96.03
COC1=CC=C(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395844	1	41	-2.0	-96.74	356.25	1.09	-95.65
COC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1[N-]S(C)(=O)=O	REAL300013395845	1	44	-2.0	-98.84	384.40	2.41	-96.43
CCC(CNC(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013395846	1	43	-2.0	-95.88	365.76	1.00	-94.88
COC1=CC=C(NC(=O)N2CCCCC2CCC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395847	1	50	-2.0	-112.88	399.80	4.35	-108.53
COC1=CC=C(NC(=O)NCCCCCCC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395848	1	49	-2.0	-93.58	411.13	2.66	-90.92
COC1=CC=C(NC(=O)N(C)CCCC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395849	1	43	-2.0	-97.90	364.21	2.69	-95.21
COC1=CC=C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395850	1	47	-2.0	-100.50	380.91	3.64	-96.86
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(OC)C([N-]S(C)(=O)=O)=C1	REAL300013395851	1	47	-2.0	-106.41	400.80	2.18	-104.23
COC1=CC=C(NC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395852	1	50	-2.0	-101.74	406.17	4.36	-97.38
COC1=CC=C(NC(=O)N2CC(C(=O)[O-])CCC2C)C=C1[N-]S(C)(=O)=O	REAL300013395853	1	47	-2.0	-103.10	381.75	3.49	-99.61
COC1=CC=C(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395854	1	45	-2.0	-98.82	375.40	0.52	-98.30
COC1=CC=C(NC(=O)NC2=CN(CC(=O)[O-])C=N2)C=C1[N-]S(C)(=O)=O	REAL300013395855	1	41	-2.0	-93.82	361.10	3.05	-90.77
COC1=CC=C(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1[N-]S(C)(=O)=O	REAL300013395856	1	42	-2.0	-99.53	366.49	1.27	-98.26
COC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1[N-]S(C)(=O)=O	REAL300013395857	1	47	-2.0	-104.86	387.24	2.69	-102.17
COC1=CC=C(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1[N-]S(C)(=O)=O	REAL300013395858	1	50	-2.0	-98.80	410.38	2.91	-95.89
COC1=CC=C(NC(=O)N2CCC(CC(=O)[O-])CC2)C=C1[N-]S(C)(=O)=O	REAL300013395859	1	47	-2.0	-97.75	383.81	3.56	-94.19
COC1=CC=C(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395860	1	47	-2.0	-98.44	391.42	2.20	-96.24
COC1=CC=C(NC(=O)NC2CCCC(C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395861	1	47	-2.0	-98.45	391.44	2.20	-96.25
COC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOC2)C=C1[N-]S(C)(=O)=O	REAL300013395862	1	45	-2.0	-93.15	373.77	-0.35	-93.50
COC1=CC=C(NC(=O)N2C3CCC2C(C(=O)[O-])C3)C=C1[N-]S(C)(=O)=O	REAL300013395863	1	45	-2.0	-115.22	374.76	3.41	-111.81
COC1=CC=C(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N-]S(C)(=O)=O	REAL300013395864	1	42	-2.0	-99.88	368.17	1.72	-98.16
COC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C=C1[N-]S(C)(=O)=O	REAL300013395865	1	41	-2.0	-94.53	352.27	1.26	-93.27
COC1=CC=C(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1[N-]S(C)(=O)=O	REAL300013395866	1	48	-2.0	-99.39	394.19	3.77	-95.62
COC1=CC=C(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395867	1	45	-2.0	-100.12	373.91	2.14	-97.98
COC1=CC=C(NC(=O)N2CCC(C(=O)[O-])C2)C=C1[N-]S(C)(=O)=O	REAL300013395868	1	41	-2.0	-97.43	352.40	2.04	-95.39
COC1=CC=C(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N-]S(C)(=O)=O	REAL300013395869	1	42	-2.0	-100.24	367.43	1.74	-98.50
COC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCCCC2)C=C1[N-]S(C)(=O)=O	REAL300013395870	1	50	-2.0	-114.51	395.60	3.74	-110.77
COC1=CC=C(NC(=O)NC(C)CCC(=O)[O-])C=C1[N-]S(C)(=O)=O	REAL300013395871	1	43	-2.0	-92.16	366.53	1.34	-90.82
O=C([O-])C1CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CC1	REAL300013395958	1	38	-2.0	-98.92	328.63	7.42	-91.50
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)=C1	REAL300013395959	0	38	-2.0	-95.33	345.03	7.30	-88.03
O=C([O-])C1CN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CCO1	REAL300013395962	1	36	-2.0	-101.92	320.23	5.78	-96.14
CN(CCC(=O)[O-])C(=O)[N-]C1=CC(C2=CC=CC=C2)=NS1	REAL300013395963	1	34	-2.0	-103.41	309.44	6.41	-97.00
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)=C1	REAL300013395970	0	41	-2.0	-92.44	366.43	8.11	-84.33
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300013395971	1	38	-2.0	-98.12	331.23	6.76	-91.36
CC(CN(C)C(=O)[N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013395972	1	37	-2.0	-106.26	324.58	6.99	-99.27
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300013395973	1	41	-2.0	-102.71	343.56	8.15	-94.56
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CC1	REAL300013395974	1	41	-2.0	-99.55	341.33	7.65	-91.90
CC1CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CC1C(=O)[O-]	REAL300013395976	1	41	-2.0	-104.78	339.31	7.59	-97.19
O=C([O-])CCC1CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CC1	REAL300013395986	1	44	-2.0	-95.94	367.94	8.80	-87.14
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=CC(C3=CC=CC=C3)=NS1)C2	REAL300013395987	1	40	-2.0	-98.02	344.63	5.41	-92.61
CC1CN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CCC1C(=O)[O-]	REAL300013395989	1	41	-2.0	-96.55	340.52	8.07	-88.48
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CC1	REAL300013395992	1	41	-2.0	-99.55	341.33	7.65	-91.90
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300013395996	1	42	-2.0	-108.14	363.20	5.85	-102.29
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300013395999	1	38	-2.0	-103.44	327.42	7.33	-96.11
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300013396000	1	38	-2.0	-103.68	328.57	7.37	-96.31
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=CC(C2=CC=CC=C2)=NS1	REAL300013396005	1	44	-2.0	-117.59	361.29	8.72	-108.87
CN(CCCC(=O)[O-])C(=O)[N-]C1=CC(C2=CC=CC=C2)=NS1	REAL300013396008	1	37	-2.0	-104.97	330.94	7.21	-97.76
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300013396009	1	41	-2.0	-103.10	343.20	8.08	-95.02
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300013396010	1	45	-2.0	-107.30	375.21	7.25	-100.05
COCCN(CCC(=O)[O-])C(=O)[N-]C1=CC(C2=CC=CC=C2)=NS1	REAL300013396011	1	41	-2.0	-105.86	362.63	6.57	-99.29
O=C([O-])CCC1CCCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300013396012	1	44	-2.0	-101.50	368.27	8.78	-92.72
O=C([O-])C1CN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CC2=CC=CC=C21	REAL300013396013	1	42	-2.0	-109.72	363.68	9.37	-100.35
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CC1	REAL300013396014	1	39	-2.0	-90.57	340.41	6.12	-84.45
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=CC(C2=CC=CC=C2)=NS1	REAL300013396015	1	41	-2.0	-102.26	343.08	7.96	-94.30
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C[C@H]1C1=CC=CC=C1	REAL300013396016	1	45	-2.0	-103.94	390.37	9.77	-94.17
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300013396017	1	39	-2.0	-101.52	337.49	4.90	-96.62
O=C([O-])C1CC(NC(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C2=CC=CC=C21	REAL300013396018	1	42	-2.0	-96.97	367.20	7.65	-89.32
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1=O	REAL300013396019	1	45	-2.0	-130.28	377.27	6.86	-123.42
O=C([O-])CN1C=NC(NC(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)=C1	REAL300013396020	0	35	-2.0	-101.71	325.66	7.26	-94.45
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CC1	REAL300013396021	1	45	-2.0	-101.78	371.51	7.51	-94.27
O=C([O-])CC1CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CC1	REAL300013396026	1	41	-2.0	-95.78	345.62	8.02	-87.76
O=C([O-])COC1CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CC1	REAL300013396027	1	42	-2.0	-97.00	362.22	7.45	-89.55
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=CC(C2=CC=CC=C2)=NS1	REAL300013396032	1	39	-2.0	-124.60	336.71	7.58	-117.02
O=C([O-])C1CN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CC12CCC2	REAL300013396035	1	42	-2.0	-99.75	355.44	7.94	-91.81
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300013396036	1	38	-2.0	-98.27	347.56	7.01	-91.26
CC1(C(=O)[O-])CN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)CCO1	REAL300013396037	1	39	-2.0	-101.63	335.77	6.58	-95.05
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300013396038	1	42	-2.0	-101.20	360.64	6.33	-94.87
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=CC(C4=CC=CC=C4)=NS3)=CC=C21	REAL300013396039	0	42	-2.0	-100.38	378.56	8.76	-91.62
O=C([O-])C1CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3)=NS2)C1	REAL300013396040	1	35	-2.0	-99.26	313.41	6.25	-93.01
CCC1=CN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013396368	0	34	-2.0	-98.23	312.49	6.05	-92.18
CCC1=CN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013396369	1	34	-2.0	-95.63	316.16	5.44	-90.19
CCC1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013396370	1	34	-2.0	-103.60	316.16	5.43	-98.17
CCC1=CN=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013396371	1	44	-2.0	-104.57	367.19	9.45	-95.12
CCC1=CN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013396372	0	37	-2.0	-94.94	333.88	6.86	-88.08
CCC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013396373	1	38	-2.0	-108.02	319.47	3.31	-104.71
CCC1=CN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013396374	1	45	-2.0	-97.75	374.66	6.96	-90.79
CCC1=CN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013396375	1	43	-2.0	-106.11	350.77	5.88	-100.23
CCC1=CN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013396376	1	40	-2.0	-113.29	341.89	6.89	-106.40
CCC1=CN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013396377	1	40	-2.0	-98.22	335.13	7.58	-90.64
CCC1=CN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013396378	1	36	-2.0	-102.05	311.52	4.21	-97.84
CCC1=CN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013396379	1	42	-2.0	-110.95	344.57	5.72	-105.23
CCC1=CN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013396380	1	34	-2.0	-122.90	309.79	5.52	-117.38
CCC1=CN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)S1	REAL300013396381	1	38	-2.0	-115.29	331.96	4.63	-110.66
CCC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)S1	REAL300013396383	1	44	-2.0	-124.87	373.01	7.56	-117.31
CCC1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013396384	1	34	-2.0	-103.60	316.16	5.43	-98.17
CCC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)S1	REAL300013396385	1	44	-2.0	-105.12	378.65	7.43	-97.69
CCC1=CN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013396386	1	40	-2.0	-120.18	328.49	7.51	-112.67
CCC1=CN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013396387	1	42	-2.0	-95.44	364.39	6.45	-88.99
CCC1=CN=C([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)S1	REAL300013396388	1	41	-2.0	-110.74	342.40	6.03	-104.71
CCC1=CN=C([N-]C(=O)N(CCOC)CCC(=O)[O-])S1	REAL300013396389	1	37	-2.0	-107.95	329.79	5.36	-102.59
CCC1=CN=C([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)S1	REAL300013396390	1	43	-2.0	-109.28	367.94	7.58	-101.70
CCC1=CN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013396391	1	40	-2.0	-104.22	335.43	7.57	-96.65
CCC1=CN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013396392	1	38	-2.0	-127.10	327.98	8.74	-118.36
CCC1=CN=C([N-]C(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)S1	REAL300013396393	1	45	-2.0	-98.66	382.73	5.76	-92.90
CCC1=CN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013396394	1	35	-2.0	-92.55	307.22	4.80	-87.75
CCC1=CN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013396395	1	41	-2.0	-107.37	357.57	8.55	-98.82
CCC1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013396396	1	38	-2.0	-99.73	334.36	6.42	-93.31
CCC1=CN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013396397	1	41	-2.0	-132.87	344.46	5.63	-127.24
CCC1=CN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)S1	REAL300013396398	1	41	-2.0	-104.22	338.70	6.30	-97.92
CCC1=CN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013396399	1	43	-2.0	-114.65	339.79	6.11	-108.54
CCC1=CN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013396400	1	40	-2.0	-96.56	338.55	5.84	-90.72
CCC1=CN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013396401	1	38	-2.0	-99.23	329.42	6.22	-93.01
CCC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013396402	1	38	-2.0	-112.13	320.73	3.70	-108.43
CCC1=CN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013396403	1	46	-2.0	-93.45	391.37	7.82	-85.63
CCC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013396404	1	38	-2.0	-103.46	323.75	6.78	-96.68
CCC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013396405	1	34	-2.0	-108.02	315.42	5.81	-102.21
CCC1=CN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013396406	1	38	-2.0	-104.65	327.84	5.11	-99.54
CCC1=CN=C([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)S1	REAL300013396407	1	43	-2.0	-97.56	373.62	4.69	-92.87
CCC1=CN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013396408	0	38	-2.0	-103.16	345.76	7.55	-95.61
CCC1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013396409	1	40	-2.0	-118.89	322.56	6.52	-112.37
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013396410	1	40	-2.0	-102.86	333.94	7.27	-95.59
CC(C)(C)C1=CN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013396411	0	40	-2.0	-103.57	350.59	7.12	-96.45
CC(C)(C)C1=CN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013396412	1	40	-2.0	-96.81	354.28	6.51	-90.30
CC(C)(C)C1=CN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013396413	1	42	-2.0	-96.94	343.05	5.34	-91.60
CC(C)(C)C1=CN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013396414	1	38	-2.0	-106.81	325.54	5.64	-101.17
CC(C)(C)C1=CN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013396415	1	43	-2.0	-101.59	356.91	6.17	-95.42
CC(C)(C)C1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013396416	1	40	-2.0	-104.88	354.28	6.50	-98.38
CC(C)(C)C1=CN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013396417	1	42	-2.0	-97.53	359.51	5.96	-91.57
CC(C)(C)C1=CN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013396418	1	37	-2.0	-102.87	323.53	1.96	-100.91
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013396419	1	50	-2.0	-106.46	408.72	10.66	-95.80
CC(C)(C)C1=CN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013396420	0	43	-2.0	-95.86	371.72	7.97	-87.89
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013396421	1	40	-2.0	-103.38	337.92	6.68	-96.70
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C1	REAL300013396422	1	43	-2.0	-106.50	348.88	8.01	-98.49
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013396423	1	43	-2.0	-103.03	345.86	7.46	-95.57
CC1CCN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)CC1C(=O)[O-]	REAL300013396424	1	43	-2.0	-110.14	352.23	7.74	-102.40
CC(C)(C)C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013396425	1	44	-2.0	-111.52	356.59	4.55	-106.97
CC(C)(C)C1=CN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013396426	1	42	-2.0	-98.99	349.80	5.28	-93.71
CCC(CC)(CNC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013396427	1	45	-2.0	-113.88	362.10	6.08	-107.80
CC(C)(C)C1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013396428	1	40	-2.0	-116.66	336.74	5.71	-110.95
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013396429	1	51	-2.0	-99.03	412.77	8.02	-91.01
CC(C)C(CNC(=O)[N-]C1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013396430	1	42	-2.0	-112.96	352.30	5.55	-107.41
CC(NC(=O)[N-]C1=NC=C(C(C)(C)C)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013396431	1	49	-2.0	-107.61	388.89	6.95	-100.66
CC(C)(C)C1=CN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013396432	1	46	-2.0	-114.97	380.01	7.96	-107.01
CC(C)(C)C1=CN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013396433	1	40	-2.0	-98.50	337.93	5.68	-92.82
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013396434	1	46	-2.0	-99.44	373.25	8.66	-90.78
CC(C)(C)C1=CN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013396435	1	42	-2.0	-103.54	349.64	5.28	-98.26
CC(C)(C)C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013396436	1	43	-2.0	-113.15	353.20	6.18	-106.97
CC1CN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)CCC1C(=O)[O-]	REAL300013396437	1	43	-2.0	-103.56	352.27	7.77	-95.79
CC(C)(C)C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013396438	1	40	-2.0	-112.36	337.00	5.75	-106.61
CC(C)(C)C1=CN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013396439	1	43	-2.0	-98.04	354.66	6.97	-91.07
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013396440	1	43	-2.0	-103.03	345.86	7.46	-95.57
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(C(C)(C)C)S1)CC(=O)[O-]	REAL300013396441	1	48	-2.0	-114.54	383.03	6.82	-107.72
CC(C)(C)C1=CN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013396442	1	40	-2.0	-124.62	347.91	6.59	-118.03
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C1	REAL300013396443	1	44	-2.0	-116.91	370.08	5.70	-111.21
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NC=C(C(C)(C)C)S3)C2)C=N1	REAL300013396445	1	50	-2.0	-110.71	415.90	8.49	-102.22
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013396446	1	40	-2.0	-108.43	333.43	7.21	-101.22
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013396447	1	40	-2.0	-108.63	333.88	7.24	-101.39
CC(C)(C)C1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013396448	1	40	-2.0	-104.88	354.28	6.50	-98.38
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC=C(C(C)(C)C)S1)CC2C(=O)[O-]	REAL300013396449	1	50	-2.0	-106.50	416.78	8.51	-97.99
CC(C)(C)C1=CN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013396450	1	46	-2.0	-122.03	366.61	8.58	-113.45
CC(C)(C)C1=CN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013396451	1	48	-2.0	-96.61	402.51	7.52	-89.09
CC(C)(C)C1=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013396452	1	45	-2.0	-98.35	381.01	6.74	-91.61
CC(C)(C)C1=CN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013396453	1	43	-2.0	-107.99	348.51	7.92	-100.07
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C1	REAL300013396454	1	47	-2.0	-112.27	380.53	7.10	-105.17
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013396455	1	43	-2.0	-109.40	367.98	6.43	-102.97
CC(C)(C)C1=CN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013396456	1	46	-2.0	-105.58	373.54	8.64	-96.94
CC(C)(C)C1=CN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013396457	1	44	-2.0	-129.05	366.17	9.82	-119.23
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)CCO1	REAL300013396458	1	51	-2.0	-99.92	420.84	6.82	-93.10
CC(C)(C)C1=CN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013396459	1	41	-2.0	-93.83	345.33	5.88	-87.95
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(C(C)(C)C)S1	REAL300013396460	1	43	-2.0	-107.69	349.84	7.82	-99.87
CC(C)(C)C1=CN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013396461	1	47	-2.0	-123.06	395.34	9.61	-113.45
CC(C)(C)C1=CN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013396462	1	41	-2.0	-106.15	342.84	4.76	-101.39
CC(C)(C)C1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013396463	1	44	-2.0	-101.05	372.47	7.49	-93.56
CC(C)(C)C1=CN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013396464	1	47	-2.0	-135.07	382.58	6.71	-128.36
CC(C)(C)C1=CN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013396465	0	37	-2.0	-106.21	330.98	7.12	-99.09
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)CC1	REAL300013396466	1	47	-2.0	-105.63	376.84	7.38	-98.25
CC(C)(C)C1=CN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013396467	1	38	-2.0	-103.31	331.72	5.19	-98.12
CC(C)(C)C1=CN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013396468	1	49	-2.0	-117.76	377.77	7.19	-110.57
CC(C)(C)C1=CN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013396469	1	43	-2.0	-104.24	351.15	6.55	-97.69
CC(C)(C)C1=CN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013396470	1	46	-2.0	-97.21	375.33	6.88	-90.33
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013396471	1	43	-2.0	-99.52	350.94	7.88	-91.64
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013396472	1	44	-2.0	-100.40	367.54	7.30	-93.10
CC(C)(C)C1=CN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013396473	1	43	-2.0	-100.82	356.91	6.17	-94.65
CC(C)(C)C1=CN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013396474	1	43	-2.0	-100.78	356.90	6.18	-94.60
CC(C)(C)C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013396475	1	44	-2.0	-113.79	358.85	4.77	-109.02
CC(C)(C)C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013396476	1	41	-2.0	-108.19	342.94	3.88	-104.31
CC(C)(C)C1=CN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013396477	1	41	-2.0	-130.44	341.60	7.42	-123.02
CC(C)(C)C1=CN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013396478	1	52	-2.0	-94.47	429.54	8.91	-85.56
CC(C)(C)C1=CN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013396479	1	38	-2.0	-104.20	333.39	5.67	-98.53
CC(C)(C)C1=CN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013396480	1	44	-2.0	-104.22	360.74	7.80	-96.42
CC(C)(C)C1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013396481	1	40	-2.0	-103.22	352.84	6.87	-96.35
CC(C)(C)C1=CN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013396482	1	41	-2.0	-106.31	341.07	6.43	-99.88
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C1	REAL300013396483	1	44	-2.0	-106.14	365.96	6.19	-99.95
CC(C)(C)C1=CN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013396484	0	44	-2.0	-104.56	383.88	8.62	-95.94
CC(C)(C)C1=CN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013396485	1	38	-2.0	-102.28	332.40	5.70	-96.58
CC(C)(C)C1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013396486	1	46	-2.0	-120.80	360.67	7.59	-113.21
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013397108	1	37	-2.0	-105.28	355.87	6.56	-98.72
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300013397109	1	40	-2.0	-98.99	377.37	7.36	-91.63
CC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(C(F)(F)F)=C2)S1)C(=O)[O-]	REAL300013397110	1	40	-2.0	-105.83	375.24	7.35	-98.48
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CC1	REAL300013397111	1	41	-2.0	-110.90	383.01	8.30	-102.60
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)C1	REAL300013397112	1	41	-2.0	-100.13	382.45	7.92	-92.21
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)C1	REAL300013397113	1	41	-2.0	-99.84	382.31	7.97	-91.87
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)C1	REAL300013397114	1	41	-2.0	-99.91	382.38	7.97	-91.94
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)CC1	REAL300013397115	1	41	-2.0	-110.90	383.01	8.30	-102.60
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(C(F)(F)F)=C3)S2)C1	REAL300013397116	1	41	-2.0	-104.36	379.63	9.05	-95.31
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013397117	1	34	-2.0	-104.45	338.11	6.17	-98.28
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1	REAL300013397118	1	37	-2.0	-98.23	359.60	6.96	-91.27
CC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300013397119	1	37	-2.0	-105.01	357.46	6.96	-98.05
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013398438	1	42	-2.0	-100.87	374.03	6.71	-94.16
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013398439	0	42	-2.0	-99.72	387.72	6.77	-92.95
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013398440	1	42	-2.0	-97.57	392.24	6.14	-91.43
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013398441	1	44	-2.0	-97.23	380.45	4.93	-92.30
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013398442	1	40	-2.0	-104.00	365.62	5.09	-98.91
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N(C)CCC(=O)[O-])=N1	REAL300013398443	1	38	-2.0	-109.32	352.15	5.85	-103.47
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013398444	1	45	-2.0	-103.13	394.31	5.77	-97.36
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013398445	1	41	-2.0	-101.54	375.40	4.77	-96.77
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013398446	1	42	-2.0	-104.77	393.35	6.17	-98.60
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013398447	1	35	-2.0	-105.54	332.41	3.20	-102.34
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013398448	1	44	-2.0	-98.45	397.48	5.58	-92.87
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013398449	1	39	-2.0	-103.19	361.08	1.52	-101.67
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013398450	1	41	-2.0	-107.23	369.53	4.72	-102.51
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013398451	1	42	-2.0	-100.32	376.50	6.07	-94.25
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013398452	1	41	-2.0	-105.76	366.23	6.16	-99.60
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013398453	1	45	-2.0	-103.52	387.99	7.67	-95.85
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013398454	1	45	-2.0	-103.54	383.24	7.02	-96.52
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013398455	1	38	-2.0	-99.34	353.90	3.99	-95.35
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013398456	1	45	-2.0	-110.48	382.97	7.07	-103.41
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013398457	1	46	-2.0	-108.89	395.68	4.22	-104.67
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013398458	1	44	-2.0	-99.11	387.19	4.87	-94.24
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N1	REAL300013398459	1	47	-2.0	-111.05	400.07	5.70	-105.35
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013398460	1	42	-2.0	-112.48	373.43	5.46	-107.02
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013398461	1	38	-2.0	-106.08	352.34	4.01	-102.07
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013398462	1	44	-2.0	-109.43	386.12	5.32	-104.11
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013398463	1	42	-2.0	-95.60	378.00	5.05	-90.55
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013398464	1	48	-2.0	-97.88	413.19	8.09	-89.79
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013398465	1	44	-2.0	-113.63	390.40	4.63	-109.00
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013398466	1	45	-2.0	-111.20	392.94	6.07	-105.13
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013398467	1	45	-2.0	-98.21	385.94	7.39	-90.82
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013398468	1	42	-2.0	-109.39	374.95	5.37	-104.02
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013398469	1	45	-2.0	-112.79	401.61	6.13	-106.66
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013398470	1	45	-2.0	-103.54	383.24	7.02	-96.52
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013398471	1	50	-2.0	-100.16	427.10	6.63	-93.53
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013398472	1	39	-2.0	-108.50	360.13	4.96	-103.54
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013398473	1	42	-2.0	-121.70	385.84	6.25	-115.45
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)=N1	REAL300013398474	1	46	-2.0	-110.19	408.61	5.18	-105.01
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013398475	1	39	-2.0	-100.39	361.07	4.62	-95.77
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013398477	1	42	-2.0	-109.46	371.82	6.84	-102.62
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013398478	1	42	-2.0	-106.12	373.97	6.69	-99.43
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013398479	1	39	-2.0	-100.45	359.55	4.58	-95.87
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013398480	1	39	-2.0	-100.27	360.61	4.92	-95.35
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013398481	1	42	-2.0	-104.77	393.35	6.17	-98.60
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC(CC)C(=O)[O-])=N1	REAL300013398482	1	41	-2.0	-108.58	367.89	4.76	-103.82
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013398483	1	48	-2.0	-124.23	405.56	8.28	-115.95
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013398484	1	50	-2.0	-97.84	441.59	7.19	-90.65
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013398485	1	47	-2.0	-99.78	418.98	6.36	-93.42
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N(C)CCCC(=O)[O-])=N1	REAL300013398486	1	41	-2.0	-110.58	375.34	6.73	-103.85
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013398487	1	45	-2.0	-105.12	388.27	7.38	-97.74
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N(CCOC)CCC(=O)[O-])=N1	REAL300013398488	1	45	-2.0	-106.23	405.33	6.01	-100.22
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013398489	1	48	-2.0	-102.82	413.64	8.09	-94.73
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013398490	1	43	-2.0	-92.18	385.78	5.42	-86.76
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013398491	1	45	-2.0	-104.26	387.71	7.42	-96.84
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013398492	1	43	-2.0	-103.33	382.94	4.21	-99.12
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013398493	0	39	-2.0	-107.59	370.06	6.78	-100.81
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013398494	1	40	-2.0	-105.18	369.65	5.06	-100.12
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013398495	1	45	-2.0	-101.76	392.57	6.08	-95.68
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013398496	1	48	-2.0	-98.73	415.73	6.58	-92.15
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013398497	1	45	-2.0	-97.08	390.88	7.31	-89.77
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013398498	1	46	-2.0	-97.99	407.60	6.75	-91.24
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013398499	1	45	-2.0	-100.83	395.72	6.10	-94.73
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013398500	1	45	-2.0	-99.84	389.92	6.21	-93.63
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013398501	1	46	-2.0	-110.84	396.81	4.38	-106.46
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013398502	1	43	-2.0	-107.80	381.05	3.32	-104.48
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013398503	1	43	-2.0	-128.87	379.99	7.06	-121.81
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013398504	1	40	-2.0	-101.82	373.20	5.15	-96.67
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013398505	1	39	-2.0	-108.50	360.13	4.96	-103.54
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013398506	1	46	-2.0	-100.49	400.80	7.27	-93.22
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013398507	1	43	-2.0	-107.47	378.46	6.01	-101.46
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013398508	1	46	-2.0	-106.91	403.34	5.77	-101.14
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013398509	1	39	-2.0	-105.02	356.36	5.70	-99.32
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013398510	1	40	-2.0	-103.50	371.81	5.37	-98.13
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013398511	1	48	-2.0	-118.04	400.11	7.35	-110.69
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013398512	1	41	-2.0	-101.09	375.35	5.06	-96.03
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CC1	REAL300013398529	0	37	-2.0	-101.92	348.31	7.78	-94.14
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300013398530	0	39	-2.0	-95.97	357.42	5.85	-90.12
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CCO1	REAL300013398531	0	35	-2.0	-105.48	339.93	6.14	-99.34
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CC1	REAL300013398532	0	40	-2.0	-100.77	371.28	6.69	-94.08
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300013398533	0	36	-2.0	-99.38	352.38	5.69	-93.69
O=C([O-])CCNC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300013398534	0	30	-2.0	-103.64	309.38	4.11	-99.53
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300013398535	0	39	-2.0	-96.61	373.88	6.47	-90.14
CC(O)(CNC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013398536	0	34	-2.0	-101.44	337.48	2.40	-99.04
CC(C)(CNC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013398537	0	36	-2.0	-105.06	344.82	5.57	-99.49
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)C1	REAL300013398538	0	37	-2.0	-101.99	352.29	7.19	-94.80
CC(CN(C)C(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013398539	0	36	-2.0	-103.43	342.31	7.06	-96.37
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)C1	REAL300013398540	0	40	-2.0	-105.53	368.59	8.28	-97.25
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CC1	REAL300013398541	0	40	-2.0	-102.11	360.23	7.95	-94.16
O=C([O-])CCCNC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300013398542	0	33	-2.0	-97.89	330.88	4.91	-92.98
CC1CCN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CC1C(=O)[O-]	REAL300013398543	0	40	-2.0	-108.69	366.60	8.24	-100.45
CC(C)(CCNC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013398544	0	39	-2.0	-97.71	364.17	5.79	-91.92
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CCC1	REAL300013398545	0	37	-2.0	-117.58	351.42	6.32	-111.26
CC(CNC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013398546	0	33	-2.0	-104.20	327.93	4.87	-99.33
CC(C)C(CNC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013398547	0	39	-2.0	-110.87	366.67	6.06	-104.81
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)C1	REAL300013398548	0	37	-2.0	-97.39	352.30	6.19	-91.20
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CCCC1	REAL300013398549	0	40	-2.0	-111.05	367.57	6.69	-104.36
CC1CN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CCC1C(=O)[O-]	REAL300013398550	0	40	-2.0	-99.45	360.20	8.43	-91.02
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CCC1	REAL300013398551	0	37	-2.0	-109.96	352.26	6.12	-103.84
O=C([O-])CC(CNC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)C1CC1	REAL300013398552	0	40	-2.0	-110.89	376.39	6.90	-103.99
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CC1	REAL300013398553	0	40	-2.0	-102.11	360.23	7.95	-94.16
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CC1	REAL300013398554	0	34	-2.0	-109.67	336.52	5.85	-103.82
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)C1	REAL300013398555	0	34	-2.0	-99.18	336.31	5.47	-93.71
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)C1	REAL300013398556	0	37	-2.0	-107.12	347.79	7.71	-99.41
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)C1	REAL300013398557	0	37	-2.0	-107.31	348.25	7.74	-99.57
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)C1	REAL300013398558	0	34	-2.0	-99.26	336.35	5.47	-93.79
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)C1	REAL300013398559	0	34	-2.0	-101.35	336.74	5.68	-95.67
CCC(CNC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013398560	0	36	-2.0	-108.76	344.96	5.79	-102.97
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)C1	REAL300013398561	0	40	-2.0	-106.67	362.85	8.44	-98.23
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300013398562	0	40	-2.0	-106.39	364.21	8.33	-98.06
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)=C1	REAL300013398563	0	34	-2.0	-104.98	345.35	7.63	-97.35
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(C4=CC=C(Cl)C=C4F)S3)(C1)C2	REAL300013398564	0	35	-2.0	-102.50	346.09	5.70	-96.80
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CC1	REAL300013398565	0	40	-2.0	-105.12	367.70	7.29	-97.83
O=C([O-])CC1CCN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CC1	REAL300013398566	0	40	-2.0	-98.54	365.30	8.38	-90.16
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)C1	REAL300013398567	0	40	-2.0	-99.60	371.28	6.69	-92.91
O=C([O-])C1CCCC(NC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)C1	REAL300013398568	0	40	-2.0	-99.30	370.75	6.67	-92.63
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300013398569	0	38	-2.0	-129.06	355.97	7.94	-121.12
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NN=C(C3=CC=C(Cl)C=C3F)S1)C2	REAL300013398570	0	35	-2.0	-105.12	348.35	6.36	-98.76
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)CC1	REAL300013398571	0	34	-2.0	-109.67	336.52	5.85	-103.82
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=CC=C(Cl)C=C3F)S2)C1	REAL300013398572	0	34	-2.0	-103.19	332.76	6.61	-96.58
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(C3=CC=C(Cl)C=C3F)S1)C2	REAL300013398573	0	35	-2.0	-104.16	347.87	6.37	-97.79
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300013398574	0	36	-2.0	-100.45	350.64	5.91	-94.54
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013398575	0	40	-2.0	-102.67	349.20	8.10	-94.57
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013398576	0	40	-2.0	-99.05	365.87	7.97	-91.08
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013398577	0	40	-2.0	-96.83	369.54	7.37	-89.46
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013398578	0	42	-2.0	-96.67	358.32	6.19	-90.48
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013398579	0	38	-2.0	-106.39	340.67	6.46	-99.93
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013398580	0	43	-2.0	-101.48	372.14	7.04	-94.44
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013398581	0	39	-2.0	-100.17	353.28	6.03	-94.14
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013398582	0	40	-2.0	-104.61	369.54	7.36	-97.25
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCCC(=O)[O-])S1	REAL300013398583	0	33	-2.0	-104.59	310.28	4.46	-100.13
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013398584	0	42	-2.0	-97.31	374.78	6.81	-90.50
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013398585	0	37	-2.0	-102.34	338.37	2.76	-99.58
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013398586	0	39	-2.0	-105.77	345.13	5.93	-99.84
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013398587	0	40	-2.0	-104.13	353.74	7.43	-96.70
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013398588	0	39	-2.0	-110.89	345.16	7.69	-103.20
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013398589	0	43	-2.0	-105.89	364.17	8.86	-97.03
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013398590	0	43	-2.0	-102.88	361.13	8.30	-94.58
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCCCC(=O)[O-])S1	REAL300013398591	0	36	-2.0	-98.66	331.78	5.25	-93.41
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013398592	0	43	-2.0	-109.33	359.87	8.31	-101.02
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013398593	0	44	-2.0	-108.59	372.85	5.23	-103.36
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013398594	0	42	-2.0	-98.57	365.06	6.14	-92.43
CCC(CC)(CNC(=O)[N-]C1=NN=C(C2=CC(F)=CC=C2C)S1)C(=O)[O-]	REAL300013398595	0	45	-2.0	-112.62	377.37	6.93	-105.69
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013398596	0	40	-2.0	-115.67	351.72	6.68	-108.99
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC(C)C(=O)[O-])S1	REAL300013398597	0	36	-2.0	-105.16	328.83	5.21	-99.95
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013398598	0	42	-2.0	-110.64	361.30	6.54	-104.10
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013398599	0	40	-2.0	-98.12	353.19	6.53	-91.59
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013398600	0	46	-2.0	-99.36	388.51	9.49	-89.87
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013398601	0	42	-2.0	-115.93	365.60	6.04	-109.89
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013398602	0	43	-2.0	-111.98	368.47	7.03	-104.95
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013398603	0	43	-2.0	-100.08	361.08	8.77	-91.31
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013398604	0	40	-2.0	-111.23	352.25	6.60	-104.63
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013398605	0	43	-2.0	-111.87	377.26	7.25	-104.62
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013398606	0	43	-2.0	-102.88	361.13	8.30	-94.58
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013398607	0	48	-2.0	-100.75	403.67	7.87	-92.88
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013398608	0	37	-2.0	-110.48	337.42	6.18	-104.30
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013398609	0	40	-2.0	-123.42	363.14	7.48	-115.94
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC(F)=CC=C3C)S2)C1	REAL300013398610	0	44	-2.0	-112.82	383.79	6.57	-106.25
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013398611	0	37	-2.0	-100.03	337.25	5.81	-94.22
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300013398612	0	45	-2.0	-96.46	385.28	4.88	-91.58
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013398613	0	40	-2.0	-108.02	348.68	8.04	-99.98
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013398614	0	40	-2.0	-108.17	349.14	8.08	-100.09
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013398615	0	37	-2.0	-100.09	337.25	5.81	-94.28
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013398616	0	37	-2.0	-99.59	336.78	5.86	-93.73
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013398617	0	40	-2.0	-104.61	369.54	7.36	-97.25
CCC(CNC(=O)[N-]C1=NN=C(C2=CC(F)=CC=C2C)S1)C(=O)[O-]	REAL300013398618	0	39	-2.0	-109.63	345.86	6.14	-103.49
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013398619	0	46	-2.0	-122.43	381.87	9.42	-113.01
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013398620	0	48	-2.0	-96.40	417.77	8.38	-88.02
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013398621	0	45	-2.0	-98.13	396.27	7.60	-90.53
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013398622	0	43	-2.0	-107.54	363.46	8.77	-98.77
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013398623	0	46	-2.0	-105.39	388.79	9.48	-95.91
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013398624	0	41	-2.0	-93.62	360.60	6.72	-86.90
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013398625	0	43	-2.0	-106.71	363.89	8.61	-98.10
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013398626	0	41	-2.0	-105.81	358.11	5.59	-100.22
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013398627	0	37	-2.0	-105.82	346.24	7.97	-97.85
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013398628	0	38	-2.0	-103.24	346.97	6.04	-97.20
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013398629	0	43	-2.0	-104.13	367.74	7.46	-96.67
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013398630	0	46	-2.0	-97.15	390.61	7.73	-89.42
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013398631	0	43	-2.0	-99.27	366.20	8.72	-90.55
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013398632	0	44	-2.0	-100.48	382.80	8.14	-92.34
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013398633	0	43	-2.0	-100.34	372.18	7.03	-93.31
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013398634	0	43	-2.0	-100.00	371.65	7.02	-92.98
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013398635	0	44	-2.0	-112.48	374.10	5.61	-106.87
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013398636	0	41	-2.0	-108.74	358.90	4.59	-104.15
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013398637	0	41	-2.0	-129.93	356.85	8.29	-121.64
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013398638	0	38	-2.0	-103.84	348.39	6.53	-97.31
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013398639	0	37	-2.0	-110.48	337.42	6.18	-104.30
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013398640	0	44	-2.0	-103.46	376.02	8.65	-94.81
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013398641	0	41	-2.0	-105.97	356.32	7.29	-98.68
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CC(F)=CC=C3C)S2)C1	REAL300013398642	0	44	-2.0	-105.61	381.22	7.03	-98.58
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013398643	0	37	-2.0	-104.12	333.65	6.94	-97.18
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013398644	0	38	-2.0	-101.97	347.91	6.55	-95.42
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013398645	0	46	-2.0	-119.97	375.93	8.44	-111.53
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013398646	0	39	-2.0	-101.18	351.54	6.25	-94.93
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C(=O)[O-])CC3)SC2=C1	REAL300013400113	1	37	-2.0	-101.40	326.49	7.71	-93.69
CC1=C(F)C=C2N=C([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)SC2=C1	REAL300013400114	0	37	-2.0	-98.01	343.16	7.59	-90.42
CC1=C(F)C=C2N=C([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)SC2=C1	REAL300013400115	1	37	-2.0	-95.48	346.83	6.98	-88.50
CC1=C(F)C=C2N=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])SC2=C1	REAL300013400116	1	39	-2.0	-95.32	335.61	5.81	-89.51
CC1=C(F)C=C2N=C([N-]C(=O)N3CCOC(C(=O)[O-])C3)SC2=C1	REAL300013400117	1	35	-2.0	-105.83	318.14	6.10	-99.73
CC1=C(F)C=C2N=C([N-]C(=O)N(C)CCC(=O)[O-])SC2=C1	REAL300013400118	1	33	-2.0	-107.28	307.31	6.73	-100.55
CC1=C(F)C=C2N=C([N-]C(=O)NC3CCC(C(=O)[O-])CC3)SC2=C1	REAL300013400119	1	40	-2.0	-100.74	349.45	6.64	-94.10
CC1=C(F)C=C2N=C([N-]C(=O)NCCCCC(=O)[O-])SC2=C1	REAL300013400120	1	36	-2.0	-99.32	330.57	5.65	-93.67
CC1=C(F)C=C2N=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)SC2=C1	REAL300013400121	1	37	-2.0	-103.38	346.83	6.97	-96.41
CC1=C(F)C=C2N=C([N-]C(=O)NCCCCCC(=O)[O-])SC2=C1	REAL300013400122	1	39	-2.0	-96.17	352.06	6.43	-89.74
CC1=C(F)C=C2N=C([N-]C(=O)NCC(C)(O)C(=O)[O-])SC2=C1	REAL300013400123	1	34	-2.0	-101.61	315.66	2.37	-99.24
CC1=C(F)C=C2N=C([N-]C(=O)NCC(C)(C)C(=O)[O-])SC2=C1	REAL300013400124	1	36	-2.0	-105.33	323.00	5.53	-99.80
CC1=C(F)C=C2N=C([N-]C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)SC2=C1	REAL300013400125	0	40	-2.0	-94.73	364.56	8.40	-86.33
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)SC2=C1	REAL300013400126	1	37	-2.0	-101.54	329.10	7.09	-94.45
CC1=C(F)C=C2N=C([N-]C(=O)N(C)CC(C)C(=O)[O-])SC2=C1	REAL300013400127	1	36	-2.0	-103.49	321.39	7.04	-96.45
CC1=C(F)C=C2N=C([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)SC2=C1	REAL300013400128	1	40	-2.0	-103.90	341.46	8.48	-95.42
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)SC2=C1	REAL300013400129	1	40	-2.0	-101.64	338.41	7.92	-93.72
CC1=C(F)C=C2N=C([N-]C(=O)NCCCC(=O)[O-])SC2=C1	REAL300013400130	1	33	-2.0	-97.54	309.07	4.87	-92.67
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)SC2=C1	REAL300013400131	1	40	-2.0	-108.77	337.18	7.92	-100.85
CC1=C(F)C=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CCOCC3)SC2=C1	REAL300013400132	1	41	-2.0	-109.12	349.15	5.03	-104.09
CC1=C(F)C=C2N=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])SC2=C1	REAL300013400133	1	39	-2.0	-97.40	341.77	5.73	-91.67
CCC(CC)(CNC(=O)[N-]C1=NC2=CC(F)=C(C)C=C2S1)C(=O)[O-]	REAL300013400134	1	42	-2.0	-110.12	349.95	6.71	-103.41
CC1=C(F)C=C2N=C([N-]C(=O)NC3(CC(=O)[O-])CCC3)SC2=C1	REAL300013400135	1	37	-2.0	-114.47	329.01	6.31	-108.16
CC1=C(F)C=C2N=C([N-]C(=O)NCC(C)C(=O)[O-])SC2=C1	REAL300013400136	1	33	-2.0	-104.47	306.11	4.83	-99.64
CC1=C(F)C=C2N=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)SC2=C1	REAL300013400137	1	39	-2.0	-110.63	344.85	6.02	-104.61
CC1=C(F)C=C2N=C([N-]C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)SC2=C1	REAL300013400138	1	46	-2.0	-106.42	384.13	8.04	-98.38
CC1=C(F)C=C2N=C([N-]C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)SC2=C1	REAL300013400139	1	43	-2.0	-112.27	372.56	8.43	-103.84
CC1=C(F)C=C2N=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)SC2=C1	REAL300013400140	1	37	-2.0	-96.56	330.48	6.06	-90.50
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)SC2=C1	REAL300013400141	1	43	-2.0	-98.03	365.80	9.11	-88.92
CC1=C(F)C=C2N=C([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)SC2=C1	REAL300013400142	1	39	-2.0	-115.12	342.94	5.65	-109.47
CC1=C(F)C=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CCCC3)SC2=C1	REAL300013400143	1	40	-2.0	-111.74	347.52	6.92	-104.82
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)SC2=C1	REAL300013400144	1	40	-2.0	-98.77	338.39	8.39	-90.38
CC1=C(F)C=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CCC3)SC2=C1	REAL300013400145	1	37	-2.0	-109.88	329.55	6.22	-103.66
CC1=C(F)C=C2N=C([N-]C(=O)NCC(CC(=O)[O-])C3CC3)SC2=C1	REAL300013400146	1	40	-2.0	-111.19	354.57	6.86	-104.33
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)SC2=C1	REAL300013400147	1	40	-2.0	-101.64	338.41	7.92	-93.72
CC1=C(F)C=C2N=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)SC2=C1	REAL300013400148	1	45	-2.0	-99.36	380.97	7.47	-91.89
CC1=C(F)C=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CC3)SC2=C1	REAL300013400149	1	34	-2.0	-109.02	314.71	5.81	-103.21
CC1=C(F)C=C2N=C([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])SC2=C1	REAL300013400150	1	37	-2.0	-122.31	340.43	7.09	-115.22
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC(F)=C(C)C=C3S2)C1	REAL300013400151	1	41	-2.0	-112.17	361.07	6.18	-105.99
CC1=C(F)C=C2N=C([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)SC2=C1	REAL300013400152	1	34	-2.0	-98.80	314.50	5.43	-93.37
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)SC2=C1	REAL300013400154	1	37	-2.0	-107.42	325.29	7.64	-99.78
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)SC2=C1	REAL300013400155	1	37	-2.0	-107.63	326.44	7.70	-99.93
CC1=C(F)C=C2N=C([N-]C(=O)NC3CC(C(=O)[O-])C3)SC2=C1	REAL300013400156	1	34	-2.0	-98.84	314.14	5.42	-93.42
CC1=C(F)C=C2N=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)SC2=C1	REAL300013400157	1	34	-2.0	-98.42	314.03	5.48	-92.94
CC1=C(F)C=C2N=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)SC2=C1	REAL300013400158	1	37	-2.0	-103.38	346.83	6.97	-96.41
CCC(CNC(=O)[N-]C1=NC2=CC(F)=C(C)C=C2S1)C(=O)[O-]	REAL300013400159	1	36	-2.0	-108.07	323.05	5.64	-102.43
CC1=C(F)C=C2N=C([N-]C(=O)N3CCCCC3CCC(=O)[O-])SC2=C1	REAL300013400160	1	43	-2.0	-122.33	359.49	9.06	-113.27
CC1=C(F)C=C2N=C([N-]C(=O)NCCCCCCCC(=O)[O-])SC2=C1	REAL300013400161	1	45	-2.0	-95.28	395.06	7.99	-87.29
CC1=C(F)C=C2N=C([N-]C(=O)NCCCCCCC(=O)[O-])SC2=C1	REAL300013400162	1	42	-2.0	-97.19	373.56	7.21	-89.98
CC1=C(F)C=C2N=C([N-]C(=O)N(C)CCCC(=O)[O-])SC2=C1	REAL300013400163	1	36	-2.0	-108.16	328.81	7.53	-100.63
CC1=C(F)C=C2N=C([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)SC2=C1	REAL300013400164	1	40	-2.0	-106.94	341.07	8.40	-98.54
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=CC(F)=C(C)C=C3S2)C1	REAL300013400165	1	44	-2.0	-110.64	372.80	7.55	-103.09
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=CC(F)=C(C)C=C2S1	REAL300013400166	1	40	-2.0	-106.74	360.50	6.89	-99.85
CC1=C(F)C=C2N=C([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)SC2=C1	REAL300013400167	1	43	-2.0	-104.80	366.09	9.09	-95.71
CC1=C(F)C=C2N=C([N-]C(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)SC2=C1	REAL300013400168	1	41	-2.0	-127.68	358.71	10.26	-117.42
CC1=C(F)C=C2N=C([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)SC2=C1	REAL300013400169	1	38	-2.0	-92.30	337.88	6.33	-85.97
CC1=C(F)C=C2N=C([N-]C(=O)N3CC(C(=O)[O-])CCC3C)SC2=C1	REAL300013400170	1	40	-2.0	-104.80	341.19	8.23	-96.57
CC1=C(F)C=C2N=C([N-]C(=O)N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)SC2=C1	REAL300013400171	1	44	-2.0	-106.33	388.24	10.09	-96.24
CC1=C(F)C=C2N=C([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)SC2=C1	REAL300013400172	1	38	-2.0	-105.07	335.33	5.22	-99.85
CC1=C(F)C=C2N=C([N-]C(=O)NC3CC(C(=O)[O-])C4=CC=CC=C43)SC2=C1	REAL300013400173	1	41	-2.0	-100.69	369.51	8.19	-92.50
CC1=C(F)C=C2N=C([N-]C(=O)NC3CCCCN(CC(=O)[O-])C3=O)SC2=C1	REAL300013400174	1	44	-2.0	-134.40	375.13	7.17	-127.23
CC1=C(F)C=C2N=C([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)SC2=C1	REAL300013400175	0	34	-2.0	-105.24	323.53	7.59	-97.65
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC(F)=C(C)C=C3S2)CC1	REAL300013400176	1	44	-2.0	-104.12	369.37	7.82	-96.30
CC1=C(F)C=C2N=C([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)SC2=C1	REAL300013400177	1	35	-2.0	-102.69	324.27	5.66	-97.03
CC1=C(F)C=C2N=C([N-]C(=O)NCC3(CC(=O)[O-])CCCCC3)SC2=C1	REAL300013400178	1	46	-2.0	-117.35	370.48	7.62	-109.73
CC1=C(F)C=C2N=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)SC2=C1	REAL300013400179	1	40	-2.0	-102.25	343.71	7.02	-95.23
CC1=C(F)C=C2N=C([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)SC2=C1	REAL300013400180	1	43	-2.0	-96.49	369.21	7.38	-89.11
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(CC(=O)[O-])CC3)SC2=C1	REAL300013400181	1	40	-2.0	-97.71	343.48	8.33	-89.38
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)SC2=C1	REAL300013400182	1	41	-2.0	-99.14	360.09	7.76	-91.38
CC1=C(F)C=C2N=C([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)SC2=C1	REAL300013400183	1	40	-2.0	-99.18	349.46	6.64	-92.54
CC1=C(F)C=C2N=C([N-]C(=O)NC3CCCC(C(=O)[O-])C3)SC2=C1	REAL300013400184	1	40	-2.0	-98.48	344.50	7.06	-91.42
CC1=C(F)C=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)SC2=C1	REAL300013400185	1	41	-2.0	-111.19	351.40	5.23	-105.96
CC1=C(F)C=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CCOC3)SC2=C1	REAL300013400186	1	38	-2.0	-107.33	336.21	4.20	-103.13
CC1=C(F)C=C2N=C([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)SC2=C1	REAL300013400187	1	38	-2.0	-128.91	334.58	7.91	-121.00
CC1=C(F)C=C2N=C([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)SC2=C1	REAL300013400188	1	35	-2.0	-102.51	325.69	6.15	-96.36
CC1=C(F)C=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CC3)SC2=C1	REAL300013400189	1	34	-2.0	-109.02	314.71	5.81	-103.21
CC1=C(F)C=C2N=C([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)SC2=C1	REAL300013400190	1	41	-2.0	-101.91	353.25	8.27	-93.64
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)SC2=C1	REAL300013400191	1	37	-2.0	-101.72	345.43	7.32	-94.40
CC1=C(F)C=C2N=C([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)SC2=C1	REAL300013400192	1	38	-2.0	-105.37	333.63	6.89	-98.48
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=CC(F)=C(C)C=C3S2)C1	REAL300013400193	1	41	-2.0	-104.98	358.61	6.67	-98.31
CC1=C(F)C=C2N=C([N-]C(=O)NC3=CC=C4C(=C3)C=CN4CC(=O)[O-])SC2=C1	REAL300013400194	0	41	-2.0	-107.28	376.42	9.09	-98.19
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C(=O)[O-])C3)SC2=C1	REAL300013400195	1	34	-2.0	-103.31	310.95	6.56	-96.75
CC1=C(F)C=C2N=C([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)SC2=C1	REAL300013400196	1	35	-2.0	-101.26	325.28	6.17	-95.09
CC1=C(F)C=C2N=C([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)SC2=C1	REAL300013400197	1	43	-2.0	-118.65	353.23	8.06	-110.59
CC1=C(F)C=C2N=C([N-]C(=O)NC(C)CCC(=O)[O-])SC2=C1	REAL300013400198	1	36	-2.0	-99.85	328.82	5.86	-93.99
CN(CCC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013406284	0	39	-2.0	-96.97	364.90	4.07	-92.90
O=C([O-])CCCCNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013406285	0	42	-2.0	-115.55	390.58	3.23	-112.32
O=C([O-])CCNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013406286	0	36	-2.0	-116.72	347.59	1.66	-115.06
CC(C)(CNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013406287	0	42	-2.0	-119.35	383.02	3.11	-116.24
CC(CN(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013406288	0	42	-2.0	-99.26	380.03	4.64	-94.62
O=C([O-])CCCNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013406289	0	39	-2.0	-109.36	369.09	2.45	-106.91
CC(CNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013406290	0	39	-2.0	-117.91	365.26	2.40	-115.51
O=C([O-])C1(CNC(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=NC=CS3)=C2)CC1	REAL300013406291	0	40	-2.0	-106.88	374.11	3.31	-103.57
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=NC=CS3)=C2)C1	REAL300013406292	0	40	-2.0	-111.29	374.51	3.02	-108.27
O=C([O-])C1CC(NC(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=NC=CS3)=C2)C1	REAL300013406293	0	40	-2.0	-108.57	373.90	3.06	-105.51
O=C([O-])[C@H]1C[C@H](NC(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=NC=CS3)=C2)C1	REAL300013406294	0	40	-2.0	-112.83	374.43	3.06	-109.77
CCC(CNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1)C(=O)[O-]	REAL300013406295	0	42	-2.0	-114.58	388.09	3.12	-111.46
CN(CCCC(=O)[O-])C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013406296	0	42	-2.0	-99.29	386.39	4.87	-94.42
O=C([O-])C1(CNC(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=NC=CS3)=C2)CC1	REAL300013406297	0	40	-2.0	-106.88	374.11	3.31	-103.57
O=C([O-])C1CCN(C(=O)NC2=CC=CC(S(=O)(=O)[N-]C3=NC=CS3)=C2)C1	REAL300013406298	0	40	-2.0	-95.04	370.24	4.02	-91.02
CC(CCC(=O)[O-])NC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300013406299	0	42	-2.0	-94.22	388.57	3.50	-90.72
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013406504	1	41	-2.0	-103.83	348.95	8.79	-95.04
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013406505	0	41	-2.0	-100.30	365.62	8.64	-91.66
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013406506	1	41	-2.0	-97.64	369.28	8.03	-89.61
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013406507	1	43	-2.0	-97.76	358.06	6.86	-90.90
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013406508	1	39	-2.0	-107.79	340.40	7.12	-100.67
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N(C)CCC(=O)[O-])S1	REAL300013406509	1	37	-2.0	-109.31	329.77	7.79	-101.52
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013406510	1	44	-2.0	-102.47	371.91	7.70	-94.77
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013406511	1	40	-2.0	-101.24	353.02	6.70	-94.54
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013406512	1	41	-2.0	-105.77	369.29	8.02	-97.75
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCCC(=O)[O-])S1	REAL300013406513	1	34	-2.0	-106.09	310.02	5.12	-100.97
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013406514	1	43	-2.0	-98.35	374.52	7.48	-90.87
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013406515	1	38	-2.0	-103.92	338.12	3.41	-100.51
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013406516	1	40	-2.0	-107.59	345.46	6.58	-101.01
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013406517	0	44	-2.0	-96.84	387.01	9.45	-87.39
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013406518	1	41	-2.0	-116.23	351.47	8.16	-108.07
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013406519	1	40	-2.0	-105.37	342.98	8.08	-97.29
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013406520	1	44	-2.0	-107.76	369.23	9.30	-98.46
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013406521	1	44	-2.0	-104.16	360.87	8.98	-95.18
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCCCC(=O)[O-])S1	REAL300013406522	1	37	-2.0	-99.97	331.52	5.92	-94.05
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013406523	1	44	-2.0	-110.82	359.60	8.96	-101.86
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013406524	1	45	-2.0	-112.54	373.23	6.24	-106.30
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013406525	1	43	-2.0	-99.80	364.23	6.79	-93.01
CCC(CC)(CNC(=O)[N-]C1=NC=C(C2=CC=CC=C2C)S1)C(=O)[O-]	REAL300013406526	1	46	-2.0	-113.70	374.03	7.94	-105.76
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013406527	1	41	-2.0	-117.40	351.47	7.36	-110.04
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC(C)C(=O)[O-])S1	REAL300013406528	1	37	-2.0	-106.28	327.69	5.87	-100.41
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013406529	1	43	-2.0	-112.46	362.06	7.17	-105.29
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013406530	1	50	-2.0	-108.66	405.52	8.64	-100.02
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013406531	1	47	-2.0	-115.75	395.02	9.48	-106.27
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013406532	1	41	-2.0	-99.46	354.58	7.37	-92.09
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013406533	1	47	-2.0	-100.20	388.26	10.18	-90.02
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013406534	1	43	-2.0	-117.72	366.97	6.88	-110.84
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013406535	1	44	-2.0	-115.11	369.98	7.97	-107.14
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013406536	1	44	-2.0	-104.51	367.24	9.27	-95.24
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013406537	1	41	-2.0	-113.40	353.63	7.44	-105.96
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013406538	1	44	-2.0	-113.64	377.01	7.90	-105.74
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013406539	1	44	-2.0	-104.16	360.87	8.98	-95.18
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013406540	1	49	-2.0	-102.19	403.42	8.50	-93.69
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013406541	1	38	-2.0	-112.54	337.17	6.86	-105.68
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013406542	1	41	-2.0	-125.43	362.89	8.14	-117.29
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C3=CC=CC=C3C)S2)C1	REAL300013406543	1	45	-2.0	-117.95	386.75	7.39	-110.56
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013406544	1	38	-2.0	-101.32	338.58	6.65	-94.67
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013406546	1	41	-2.0	-109.43	347.74	8.70	-100.73
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013406547	1	41	-2.0	-109.69	350.51	8.93	-100.76
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013406548	1	38	-2.0	-101.36	336.99	6.48	-94.88
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013406549	1	38	-2.0	-100.82	338.09	6.70	-94.12
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013406550	1	41	-2.0	-105.77	369.29	8.02	-97.75
CCC(CNC(=O)[N-]C1=NC=C(C2=CC=CC=C2C)S1)C(=O)[O-]	REAL300013406551	1	40	-2.0	-111.39	345.51	6.69	-104.70
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013406552	1	47	-2.0	-123.35	383.81	10.29	-113.06
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013406553	1	49	-2.0	-97.40	417.52	9.04	-88.36
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013406554	1	46	-2.0	-99.10	396.02	8.26	-90.84
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N(C)CCCC(=O)[O-])S1	REAL300013406555	1	40	-2.0	-110.20	351.26	8.59	-101.61
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013406556	1	44	-2.0	-108.93	363.49	9.45	-99.48
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(C3=CC=CC=C3C)S2)C1	REAL300013406557	1	48	-2.0	-113.19	395.49	8.61	-104.58
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(C2=CC=CC=C2C)S1	REAL300013406558	1	44	-2.0	-110.37	382.95	7.95	-102.42
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013406559	1	47	-2.0	-106.54	388.51	10.15	-96.39
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013406560	1	45	-2.0	-130.35	381.15	11.32	-119.03
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013406561	1	42	-2.0	-94.79	360.33	7.39	-87.40
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013406562	1	44	-2.0	-108.33	363.64	9.29	-99.04
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013406563	1	42	-2.0	-107.16	357.74	6.26	-100.90
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013406564	1	45	-2.0	-103.21	391.96	9.25	-93.96
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013406565	0	38	-2.0	-107.16	345.98	8.63	-98.53
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C3=CC=CC=C3C)S2)CC1	REAL300013406566	1	48	-2.0	-106.67	393.49	9.05	-97.62
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013406567	1	39	-2.0	-104.35	346.73	6.71	-97.64
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013406568	1	50	-2.0	-120.36	392.92	8.66	-111.70
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013406569	1	44	-2.0	-105.59	369.15	8.30	-97.29
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013406570	1	47	-2.0	-98.14	392.02	8.58	-89.56
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013406571	1	44	-2.0	-100.34	365.95	9.40	-90.94
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013406572	1	45	-2.0	-101.27	382.55	8.82	-92.45
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013406573	1	44	-2.0	-101.63	373.59	7.87	-93.76
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013406574	1	44	-2.0	-101.63	367.48	8.12	-93.51
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013406575	1	45	-2.0	-114.63	375.48	6.45	-108.18
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013406576	1	42	-2.0	-110.67	358.67	5.25	-105.42
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013406577	1	42	-2.0	-131.19	356.67	8.93	-122.26
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013406578	1	39	-2.0	-105.17	350.03	7.37	-97.80
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013406579	1	38	-2.0	-112.54	337.17	6.86	-105.68
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013406580	1	45	-2.0	-105.86	378.55	9.55	-96.31
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013406581	1	41	-2.0	-105.10	368.97	8.55	-96.55
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013406582	1	42	-2.0	-107.33	356.05	7.94	-99.39
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C3=CC=CC=C3C)S2)C1	REAL300013406583	1	45	-2.0	-107.11	382.60	7.88	-99.23
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013406584	1	38	-2.0	-105.18	335.46	7.79	-97.39
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013406585	1	39	-2.0	-103.27	349.07	7.40	-95.87
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013406586	1	47	-2.0	-121.79	375.68	9.10	-112.69
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013406587	1	40	-2.0	-102.58	351.28	6.92	-95.66
CC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013408364	1	34	-2.0	-91.73	310.33	4.64	-87.09
CC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013408368	1	37	-2.0	-88.78	331.73	5.44	-83.34
CC1=NC(C)=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013408404	1	38	-2.0	-95.84	343.86	6.10	-89.74
CC1=C(C)SC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013409313	0	34	-2.0	-95.91	307.70	5.33	-90.58
CC1=C(C)SC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013409314	1	34	-2.0	-94.05	311.36	4.74	-89.31
CC1=C(C)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013409315	1	34	-2.0	-101.48	311.37	4.72	-96.76
CC1=C(C)SC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013409316	1	44	-2.0	-106.59	369.30	9.36	-97.23
CC1=C(C)SC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013409317	0	37	-2.0	-92.83	329.09	6.14	-86.69
CC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013409318	1	38	-2.0	-105.51	314.67	2.60	-102.91
CC1=C(C)SC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013409319	1	45	-2.0	-99.14	373.36	6.73	-92.41
CC1=C(C)SC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013409320	1	43	-2.0	-102.81	348.67	5.79	-97.02
CC1=C(C)SC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013409321	1	40	-2.0	-110.54	337.10	6.19	-104.35
CC1=C(C)SC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013409322	1	40	-2.0	-99.64	333.82	7.34	-92.30
CC1=C(C)SC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013409323	1	36	-2.0	-110.66	307.42	3.38	-107.28
CC1=C(C)SC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013409324	1	42	-2.0	-108.81	340.12	5.04	-103.77
CC1=C(C)SC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013409325	1	34	-2.0	-119.25	304.97	4.84	-114.41
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C)=C(C)S2)C1	REAL300013409326	1	38	-2.0	-113.47	329.10	4.40	-109.07
CC1=C(C)SC([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013409328	1	44	-2.0	-123.22	368.21	6.86	-116.36
CC1=C(C)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013409329	1	34	-2.0	-101.48	311.37	4.72	-96.76
CC1=C(C)SC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013409330	1	40	-2.0	-114.76	323.69	6.79	-107.97
CC1=C(C)SC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013409331	1	42	-2.0	-93.13	359.58	5.73	-87.40
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C)=C(C)S2)C1	REAL300013409332	1	41	-2.0	-111.59	340.83	5.78	-105.81
CC1=C(C)SC([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013409333	1	43	-2.0	-113.39	365.84	7.18	-106.21
CC1=C(C)SC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013409334	1	40	-2.0	-105.48	334.16	7.33	-98.15
CC1=C(C)SC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013409335	1	38	-2.0	-128.68	326.68	8.50	-120.18
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC(C)=C(C)S2)CCO1	REAL300013409336	1	45	-2.0	-95.38	378.66	5.08	-90.30
CC1=C(C)SC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013409337	1	35	-2.0	-94.43	306.30	4.67	-89.76
CC1=C(C)SC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013409338	1	41	-2.0	-109.07	355.59	8.29	-100.78
CC1=C(C)SC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013409339	1	38	-2.0	-97.41	329.61	5.72	-91.69
CC1=C(C)SC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013409340	1	41	-2.0	-128.21	339.67	4.93	-123.28
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C)=C(C)S2)CC1	REAL300013409341	1	41	-2.0	-105.73	337.40	6.05	-99.68
CC1=C(C)SC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013409342	1	43	-2.0	-97.30	334.71	5.40	-91.90
CC1=C(C)SC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013409343	1	40	-2.0	-97.47	335.93	5.58	-91.89
CC1=C(C)SC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013409344	1	38	-2.0	-100.64	328.11	5.99	-94.65
CC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013409345	1	38	-2.0	-109.24	315.94	2.99	-106.25
CC1=C(C)SC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013409346	1	46	-2.0	-91.60	385.99	7.11	-84.49
CC1=C(C)SC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013409347	1	38	-2.0	-104.49	321.32	6.49	-98.00
CC1=C(C)SC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013409348	1	34	-2.0	-103.21	313.46	5.56	-97.65
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C)=C(C)S2)C1	REAL300013409349	1	38	-2.0	-100.15	323.04	4.41	-95.74
CC1=C(C)SC([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013409350	1	43	-2.0	-98.82	372.33	4.47	-94.35
CC1=C(C)SC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013409351	0	38	-2.0	-99.63	340.96	6.83	-92.80
CC1=C(C)SC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013409352	1	40	-2.0	-115.95	317.76	5.80	-110.15
CC1=CSC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013409353	1	41	-2.0	-98.94	343.54	8.04	-90.90
CC1=CSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013409354	0	34	-2.0	-90.63	310.23	5.43	-85.20
CC1=CSC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013409355	1	42	-2.0	-93.25	351.00	5.54	-87.71
CC1=CSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013409356	1	40	-2.0	-100.49	327.12	4.46	-96.03
CC1=CSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013409357	1	37	-2.0	-107.59	318.24	5.47	-102.12
CC1=CSC([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013409358	1	41	-2.0	-120.24	349.35	6.15	-114.09
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC(C)=CS1)CC2C(=O)[O-]	REAL300013409359	1	41	-2.0	-101.46	355.01	6.01	-95.45
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C)=CS2)C1	REAL300013409360	1	38	-2.0	-103.59	318.76	4.61	-98.98
CC1=CSC([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013409361	1	40	-2.0	-102.78	344.29	6.15	-96.63
CC1=CSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013409362	1	35	-2.0	-118.99	304.33	7.27	-111.72
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC(C)=CS2)CCO1	REAL300013409363	1	42	-2.0	-93.20	359.81	4.37	-88.83
CC1=CSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013409364	1	38	-2.0	-102.85	333.92	7.13	-95.72
CC1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013409365	1	35	-2.0	-95.04	310.70	5.00	-90.04
CC1=CSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013409366	1	38	-2.0	-125.31	320.80	4.23	-121.08
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C)=CS2)CC1	REAL300013409367	1	38	-2.0	-99.56	315.08	4.89	-94.67
CC1=CSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013409368	1	40	-2.0	-109.12	316.00	4.70	-104.42
CC1=CSC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013409369	1	43	-2.0	-89.58	367.72	6.40	-83.18
CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013409370	1	31	-2.0	-95.63	291.07	4.37	-91.26
CC1=CSC([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013409371	1	40	-2.0	-93.17	349.99	3.29	-89.88
CC1=CSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013409372	0	35	-2.0	-97.30	322.11	6.12	-91.18
CCC1=C(C)SC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013409373	0	37	-2.0	-96.33	329.62	6.08	-90.25
CCC1=C(C)SC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013409374	1	37	-2.0	-94.49	332.84	5.46	-89.03
CCC1=C(C)SC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013409375	1	40	-2.0	-97.27	335.47	5.12	-92.15
CCC1=C(C)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013409376	1	37	-2.0	-101.92	332.85	5.45	-96.47
CCC1=C(C)SC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013409377	1	47	-2.0	-101.74	384.30	9.50	-92.24
CCC1=C(C)SC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013409378	0	40	-2.0	-93.16	351.02	6.88	-86.28
CCC1=C(C)SC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013409379	1	40	-2.0	-105.85	332.79	6.74	-99.11
CCC1=C(C)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013409380	1	40	-2.0	-99.73	324.85	6.40	-93.33
CCC1=C(C)SC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013409381	1	40	-2.0	-102.92	328.64	6.63	-96.29
CCC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013409382	1	41	-2.0	-106.04	336.15	3.32	-102.72
CCC1=C(C)SC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N1	REAL300013409383	1	42	-2.0	-109.45	338.47	5.38	-104.07
CCC1=C(C)SC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013409384	1	48	-2.0	-95.68	391.77	6.99	-88.69
CCC1=C(C)SC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013409385	1	46	-2.0	-103.34	370.15	6.52	-96.82
CCC1=C(C)SC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013409386	1	43	-2.0	-111.13	359.02	6.91	-104.22
CCC1=C(C)SC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013409387	1	43	-2.0	-96.68	353.26	7.66	-89.02
CCC1=C(C)SC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013409388	1	39	-2.0	-111.24	328.91	4.10	-107.14
CCC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013409389	1	40	-2.0	-110.49	333.99	5.40	-105.09
CCC1=C(C)SC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013409390	1	40	-2.0	-97.24	325.87	6.95	-90.29
CCC1=C(C)SC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013409391	1	40	-2.0	-107.02	341.03	5.34	-101.68
CCC1=C(C)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013409392	1	40	-2.0	-99.73	324.85	6.40	-93.33
CCC1=C(C)SC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013409393	1	45	-2.0	-110.33	362.04	5.74	-104.59
CCC1=C(C)SC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013409394	1	37	-2.0	-119.81	326.45	5.57	-114.24
CCC1=C(C)SC([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)=N1	REAL300013409395	1	41	-2.0	-107.77	348.54	4.71	-103.06
CCC1=C(C)SC([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013409397	1	47	-2.0	-123.83	389.70	7.58	-116.25
CCC1=C(C)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013409398	1	37	-2.0	-101.92	332.85	5.45	-96.47
CCC1=C(C)SC([N-]C(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)=N1	REAL300013409399	1	47	-2.0	-104.63	396.79	7.50	-97.13
CCC1=C(C)SC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013409400	1	43	-2.0	-115.23	345.18	7.51	-107.72
CCC1=C(C)SC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013409401	1	45	-2.0	-93.49	381.52	6.47	-87.02
CCC1=C(C)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013409402	1	42	-2.0	-94.67	360.02	5.69	-88.98
CCC1=C(C)SC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013409403	1	40	-2.0	-102.15	328.21	6.93	-95.22
CCC1=C(C)SC([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)=N1	REAL300013409404	1	44	-2.0	-105.93	360.27	6.08	-99.85
CCC1=C(C)SC([N-]C(=O)N(CCOC)CCC(=O)[O-])=N1	REAL300013409405	1	40	-2.0	-108.97	346.95	5.39	-103.58
CCC1=C(C)SC([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013409406	1	46	-2.0	-105.69	386.85	7.64	-98.05
CCC1=C(C)SC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013409407	1	43	-2.0	-100.51	353.59	7.65	-92.86
CCC1=C(C)SC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013409408	1	41	-2.0	-122.33	346.11	8.77	-113.56
CCC1=C(C)SC([N-]C(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)=N1	REAL300013409409	1	48	-2.0	-95.71	401.59	5.86	-89.85
CCC1=C(C)SC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013409410	1	38	-2.0	-91.56	325.73	4.99	-86.57
CCC1=C(C)SC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013409411	1	40	-2.0	-105.35	327.04	6.74	-98.61
CCC1=C(C)SC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013409412	1	44	-2.0	-120.20	373.92	8.55	-111.65
CCC1=C(C)SC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013409413	1	38	-2.0	-100.90	322.85	3.76	-97.14
CCC1=C(C)SC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013409414	1	41	-2.0	-99.14	355.53	6.67	-92.47
CCC1=C(C)SC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013409415	1	44	-2.0	-128.81	362.59	5.71	-123.10
CCC1=C(C)SC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013409416	0	34	-2.0	-101.33	310.00	6.09	-95.24
CCC1=C(C)SC([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300013409417	1	44	-2.0	-102.48	356.83	6.37	-96.11
CCC1=C(C)SC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013409418	1	46	-2.0	-97.82	356.20	6.13	-91.69
CCC1=C(C)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013409419	1	40	-2.0	-102.10	330.17	5.52	-96.58
CCC1=C(C)SC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013409420	1	43	-2.0	-94.49	355.35	5.88	-88.61
CCC1=C(C)SC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013409421	1	40	-2.0	-97.26	330.94	6.88	-90.38
CCC1=C(C)SC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013409422	1	41	-2.0	-97.59	347.55	6.30	-91.29
CCC1=C(C)SC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013409423	1	40	-2.0	-96.94	334.95	5.11	-91.83
CCC1=C(C)SC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013409424	1	40	-2.0	-98.14	331.05	5.54	-92.60
CCC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013409425	1	41	-2.0	-109.82	337.42	3.71	-106.11
CCC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013409426	1	38	-2.0	-106.60	322.23	2.68	-103.92
CCC1=C(C)SC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013409427	1	38	-2.0	-124.56	322.04	6.43	-118.13
CCC1=C(C)SC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013409428	1	49	-2.0	-91.93	408.06	7.84	-84.09
CCC1=C(C)SC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013409429	1	41	-2.0	-101.88	340.76	6.80	-95.08
CCC1=C(C)SC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013409430	1	37	-2.0	-98.77	332.89	5.86	-92.91
CCC1=C(C)SC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013409431	1	38	-2.0	-100.95	321.09	5.44	-95.51
CCC1=C(C)SC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013409432	1	41	-2.0	-100.63	344.52	5.13	-95.50
CCC1=C(C)SC([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013409433	1	46	-2.0	-95.38	391.76	4.78	-90.60
CCC1=C(C)SC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013409434	0	41	-2.0	-102.65	362.88	7.57	-95.08
CCC1=C(C)SC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013409435	1	43	-2.0	-116.61	339.69	6.54	-110.07
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])CC1)=N2	REAL300013409436	1	44	-2.0	-104.64	355.74	8.43	-96.21
CCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC(=O)[O-])=C1)=N2	REAL300013409437	0	44	-2.0	-101.16	372.41	8.31	-92.85
CCC1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=C(C(=O)[O-])C=C1)=N2	REAL300013409438	1	44	-2.0	-98.42	376.07	7.70	-90.72
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2	REAL300013409439	1	46	-2.0	-98.61	364.84	6.52	-92.09
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCOC(C(=O)[O-])C1)=N2	REAL300013409440	1	42	-2.0	-108.50	347.35	6.82	-101.68
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)CCC(=O)[O-])=N2	REAL300013409441	1	40	-2.0	-109.96	336.55	7.45	-102.51
CCC1CCC2=C(C1)SC([N-]C(=O)NC1CCC(C(=O)[O-])CC1)=N2	REAL300013409442	1	47	-2.0	-103.11	378.70	7.36	-95.75
CCC1CCC2=C(C1)SC([N-]C(=O)NCCCCC(=O)[O-])=N2	REAL300013409443	1	43	-2.0	-102.00	359.81	6.36	-95.64
CCC1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)=N2	REAL300013409444	1	44	-2.0	-106.70	376.08	7.69	-99.01
CCC1CCC2=C(C1)SC([N-]C(=O)NCCCCCC(=O)[O-])=N2	REAL300013409445	1	46	-2.0	-99.12	381.31	7.15	-91.97
CCC1CCC2=C(C1)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2	REAL300013409446	1	41	-2.0	-104.57	345.32	3.13	-101.44
CCC1CCC2=C(C1)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2	REAL300013409447	1	43	-2.0	-108.03	351.66	6.26	-101.77
CCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CCC(=O)[O-])=C1)=N2	REAL300013409448	0	47	-2.0	-97.65	393.81	9.11	-88.54
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])C1)=N2	REAL300013409449	1	44	-2.0	-104.67	358.35	7.80	-96.87
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N2	REAL300013409450	1	43	-2.0	-112.33	350.87	8.00	-104.33
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC(C)CC(C(=O)[O-])C1)=N2	REAL300013409451	1	47	-2.0	-109.01	375.38	8.94	-100.07
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)=N2	REAL300013409452	1	47	-2.0	-104.85	367.67	8.63	-96.22
CCC1CCC2=C(C1)SC([N-]C(=O)NCCCC(=O)[O-])=N2	REAL300013409453	1	40	-2.0	-100.81	338.31	5.58	-95.23
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)C(C(=O)[O-])C1)=N2	REAL300013409454	1	47	-2.0	-110.57	370.43	8.80	-101.77
CCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCOCC1)=N2	REAL300013409455	1	48	-2.0	-113.63	378.40	5.74	-107.89
CCC1CCC2=C(C1)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2	REAL300013409456	1	46	-2.0	-100.57	371.59	6.47	-94.10
CCC1CCC2=C(C1)SC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N2	REAL300013409457	1	49	-2.0	-115.88	383.90	7.27	-108.61
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(CC(=O)[O-])CCC1)=N2	REAL300013409458	1	44	-2.0	-118.57	358.27	7.02	-111.55
CCC1CCC2=C(C1)SC([N-]C(=O)NCC(C)C(=O)[O-])=N2	REAL300013409459	1	40	-2.0	-107.53	335.36	5.55	-101.98
CCC1CCC2=C(C1)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N2	REAL300013409460	1	46	-2.0	-114.95	374.10	6.74	-108.21
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)=N2	REAL300013409461	1	53	-2.0	-109.23	413.28	8.74	-100.49
CCC1CCC2=C(C1)SC([N-]C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)=N2	REAL300013409462	1	50	-2.0	-117.22	401.81	9.15	-108.07
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)=N2	REAL300013409463	1	44	-2.0	-100.16	359.74	6.87	-93.29
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(CCC(=O)[O-])CC1)=N2	REAL300013409464	1	50	-2.0	-101.08	395.05	9.83	-91.25
CCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)=N2	REAL300013409465	1	46	-2.0	-118.51	372.12	6.35	-112.16
CCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCCC1)=N2	REAL300013409466	1	47	-2.0	-116.46	376.77	7.64	-108.82
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])C(C)C1)=N2	REAL300013409467	1	47	-2.0	-102.09	367.66	9.12	-92.97
CCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCC1)=N2	REAL300013409468	1	44	-2.0	-114.57	358.80	6.94	-107.63
CCC1CCC2=C(C1)SC([N-]C(=O)NCC(CC(=O)[O-])C1CC1)=N2	REAL300013409469	1	47	-2.0	-114.53	383.82	7.58	-106.95
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)=N2	REAL300013409470	1	47	-2.0	-104.85	367.67	8.63	-96.22
CCC1CCC2=C(C1)SC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N2	REAL300013409471	1	52	-2.0	-103.17	410.23	8.20	-94.97
CCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CC1)=N2	REAL300013409472	1	41	-2.0	-113.86	343.96	6.52	-107.34
CCC1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=CC=C1C(=O)[O-])=N2	REAL300013409473	1	44	-2.0	-126.79	369.68	7.81	-118.98
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(COC)(C(=O)[O-])C1)=N2	REAL300013409474	1	48	-2.0	-115.29	390.33	6.90	-108.39
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)=N2	REAL300013409475	1	41	-2.0	-102.08	343.45	6.14	-95.94
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300013409477	1	44	-2.0	-110.12	354.56	8.36	-101.76
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H](C(=O)[O-])C1)=N2	REAL300013409478	1	44	-2.0	-110.34	355.67	8.42	-101.92
CCC1CCC2=C(C1)SC([N-]C(=O)NC1CC(C(=O)[O-])C1)=N2	REAL300013409479	1	41	-2.0	-102.16	343.40	6.14	-96.02
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)=N2	REAL300013409480	1	41	-2.0	-101.46	343.66	6.19	-95.27
CCC1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)=N2	REAL300013409481	1	44	-2.0	-106.70	376.08	7.69	-99.01
CCC(CNC(=O)[N-]C1=NC2=C(CC(CC)CC2)S1)C(=O)[O-]	REAL300013409482	1	43	-2.0	-112.51	352.30	6.35	-106.16
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1CCC(=O)[O-])=N2	REAL300013409483	1	50	-2.0	-123.81	388.41	9.76	-114.05
CCC1CCC2=C(C1)SC([N-]C(=O)NCCCCCCCC(=O)[O-])=N2	REAL300013409484	1	52	-2.0	-98.17	424.30	8.71	-89.46
CCC1CCC2=C(C1)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N2	REAL300013409485	1	49	-2.0	-99.86	402.81	7.93	-91.93
CCC1CCC2=C(C1)SC([N-]C(=O)N(C)CCCC(=O)[O-])=N2	REAL300013409486	1	43	-2.0	-110.76	358.05	8.26	-102.50
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC(C)(C(=O)[O-])C1)=N2	REAL300013409487	1	47	-2.0	-109.59	370.00	9.10	-100.49
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC(COC)(C(=O)[O-])C1)=N2	REAL300013409488	1	51	-2.0	-113.36	402.06	8.25	-105.11
CCC1CCC2=C(C1)SC([N-]C(=O)N(CCOC)CCC(=O)[O-])=N2	REAL300013409489	1	47	-2.0	-111.73	389.73	7.62	-104.11
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC(CCC(=O)[O-])C1)=N2	REAL300013409490	1	50	-2.0	-107.14	395.34	9.82	-97.32
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC3=CC=CC=C3C(C(=O)[O-])C1)=N2	REAL300013409491	1	48	-2.0	-116.72	390.79	10.40	-106.32
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCN(C(=O)C(=O)[O-])CC1)=N2	REAL300013409492	1	45	-2.0	-95.56	367.14	7.06	-88.50
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC(C(=O)[O-])CCC1C)=N2	REAL300013409493	1	47	-2.0	-109.66	370.43	8.94	-100.72
CCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C1)=N2	REAL300013409494	1	51	-2.0	-110.93	417.48	10.82	-100.11
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)(C(=O)[O-])C1)=N2	REAL300013409495	1	45	-2.0	-107.95	364.64	5.93	-102.02
CCC1CCC2=C(C1)SC([N-]C(=O)NC1CC(C(=O)[O-])C3=CC=CC=C31)=N2	REAL300013409496	1	48	-2.0	-102.81	394.32	8.69	-94.12
CCC1CCC2=C(C1)SC([N-]C(=O)NC1CCCCN(CC(=O)[O-])C1=O)=N2	REAL300013409497	1	51	-2.0	-137.08	404.37	7.89	-129.19
CCC1CCC2=C(C1)SC([N-]C(=O)NC1=CN(CC(=O)[O-])C=N1)=N2	REAL300013409498	0	41	-2.0	-107.80	352.79	8.31	-99.49
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(COC)(C(=O)[O-])CC1)=N2	REAL300013409499	1	51	-2.0	-107.48	398.62	8.54	-98.94
CCC1CCC2=C(C1)SC([N-]C(=O)NC13CC(C(=O)[O-])(C1)C3)=N2	REAL300013409500	1	42	-2.0	-104.84	353.52	6.37	-98.47
CCC1CCC2=C(C1)SC([N-]C(=O)NCC1(CC(=O)[O-])CCCCC1)=N2	REAL300013409501	1	53	-2.0	-102.64	399.43	8.37	-94.27
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)=N2	REAL300013409502	1	47	-2.0	-106.16	372.95	7.76	-98.40
CCC1CCC2=C(C1)SC([N-]C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)=N2	REAL300013409503	1	50	-2.0	-99.42	398.46	8.10	-91.32
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(CC(=O)[O-])CC1)=N2	REAL300013409504	1	47	-2.0	-101.36	372.73	9.05	-92.31
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(OCC(=O)[O-])CC1)=N2	REAL300013409505	1	48	-2.0	-102.16	389.34	8.47	-93.69
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300013409506	1	47	-2.0	-102.50	378.72	7.36	-95.14
CCC1CCC2=C(C1)SC([N-]C(=O)NC1CCCC(C(=O)[O-])C1)=N2	REAL300013409507	1	47	-2.0	-102.20	373.75	7.77	-94.43
CCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCCOC1)=N2	REAL300013409508	1	48	-2.0	-115.95	380.65	5.95	-110.00
CCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCOC1)=N2	REAL300013409509	1	45	-2.0	-111.87	365.46	4.92	-106.95
CCC1CCC2=C(C1)SC([N-]C(=O)N1C3CCC1C(C(=O)[O-])C3)=N2	REAL300013409510	1	45	-2.0	-104.76	359.32	8.53	-96.23
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300013409511	1	42	-2.0	-106.20	354.94	6.87	-99.33
CCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CC1)=N2	REAL300013409512	1	41	-2.0	-113.86	343.96	6.52	-107.34
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC(C(=O)[O-])C3(CCC3)C1)=N2	REAL300013409513	1	48	-2.0	-106.22	382.55	8.98	-97.24
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)=N2	REAL300013409514	1	44	-2.0	-105.18	374.68	8.05	-97.13
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCOC(C)(C(=O)[O-])C1)=N2	REAL300013409515	1	45	-2.0	-107.98	362.89	7.62	-100.36
CCC1CCC2=C(C1)SC([N-]C(=O)N1CC(OC)CC(C(=O)[O-])C1)=N2	REAL300013409516	1	48	-2.0	-107.73	387.76	7.36	-100.37
CCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=C3C(=C1)C=CN3CC(=O)[O-])=N2	REAL300013409517	0	48	-2.0	-106.10	405.68	9.81	-96.29
CCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])C1)=N2	REAL300013409518	1	41	-2.0	-106.05	340.52	7.28	-98.77
CCC1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300013409519	1	42	-2.0	-104.00	354.55	6.89	-97.11
CCC1CCC2=C(C1)SC([N-]C(=O)NC1(CC(=O)[O-])CCCCC1)=N2	REAL300013409520	1	50	-2.0	-122.99	382.48	8.77	-114.22
CCC1CCC2=C(C1)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N2	REAL300013409521	1	43	-2.0	-103.39	358.06	6.58	-96.81
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013409522	1	47	-2.0	-104.55	391.38	10.19	-94.36
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013409523	0	47	-2.0	-101.13	411.38	10.18	-90.95
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013409524	1	47	-2.0	-98.45	415.04	9.57	-88.88
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013409525	1	49	-2.0	-98.48	400.49	8.27	-90.21
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013409526	1	45	-2.0	-108.25	383.00	8.57	-99.68
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)CCC(=O)[O-])=N1	REAL300013409527	1	43	-2.0	-109.57	372.20	9.20	-100.37
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013409528	1	50	-2.0	-102.97	417.67	9.24	-93.73
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013409529	1	46	-2.0	-101.87	395.45	8.11	-93.76
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013409530	1	47	-2.0	-106.68	415.05	9.56	-97.12
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013409531	1	40	-2.0	-106.66	352.46	6.54	-100.12
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013409532	1	49	-2.0	-99.01	416.95	8.90	-90.11
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013409533	1	44	-2.0	-104.31	380.96	4.88	-99.43
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013409534	1	46	-2.0	-107.76	387.31	8.01	-99.75
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013409535	1	47	-2.0	-104.57	393.99	9.55	-95.02
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013409536	1	46	-2.0	-112.49	387.33	9.78	-102.71
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013409537	1	50	-2.0	-108.96	411.67	10.71	-98.25
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013409538	1	50	-2.0	-104.68	403.23	10.38	-94.30
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013409539	1	43	-2.0	-100.64	373.95	7.33	-93.31
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013409540	1	50	-2.0	-110.29	406.08	10.56	-99.73
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013409541	1	49	-2.0	-100.56	406.66	8.21	-92.35
CCC(CC)(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013409542	1	52	-2.0	-115.59	419.55	9.02	-106.57
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013409543	1	47	-2.0	-118.22	393.88	8.77	-109.45
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013409544	1	43	-2.0	-107.24	371.01	7.30	-99.94
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013409545	1	49	-2.0	-114.59	409.74	8.49	-106.10
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013409546	1	47	-2.0	-99.72	395.38	8.53	-91.19
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013409547	1	50	-2.0	-116.16	412.39	9.38	-106.78
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013409548	1	50	-2.0	-101.87	403.31	10.87	-91.00
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013409549	1	47	-2.0	-113.95	398.67	8.67	-105.28
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013409550	1	50	-2.0	-114.16	422.79	9.45	-104.71
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013409551	1	50	-2.0	-104.68	403.23	10.38	-94.30
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013409552	1	44	-2.0	-113.69	379.57	8.27	-105.42
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013409553	1	47	-2.0	-126.40	408.65	9.68	-116.72
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013409554	1	44	-2.0	-102.01	379.02	7.89	-94.12
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013409555	1	47	-2.0	-109.81	390.21	10.11	-99.70
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013409556	1	47	-2.0	-109.95	391.30	10.17	-99.78
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013409557	1	44	-2.0	-102.08	382.35	8.02	-94.06
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013409558	1	44	-2.0	-101.30	379.17	7.93	-93.37
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013409559	1	47	-2.0	-106.68	415.05	9.56	-97.12
CCC(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013409560	1	46	-2.0	-113.28	392.95	8.00	-105.28
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013409561	1	52	-2.0	-99.77	438.45	9.68	-90.09
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N(C)CCCC(=O)[O-])=N1	REAL300013409562	1	46	-2.0	-110.35	393.70	10.01	-100.34
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013409563	1	50	-2.0	-109.38	405.64	10.86	-98.52
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(C)C=C2)S1	REAL300013409564	1	50	-2.0	-111.62	425.38	9.37	-102.25
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013409565	1	50	-2.0	-107.96	409.23	10.87	-97.09
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013409566	1	48	-2.0	-107.51	400.28	7.69	-99.82
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013409567	0	44	-2.0	-107.54	388.40	10.05	-97.49
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013409568	1	45	-2.0	-104.64	389.12	8.12	-96.52
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013409569	1	50	-2.0	-106.19	411.93	9.63	-96.56
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013409570	1	50	-2.0	-101.28	408.37	10.81	-90.47
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013409571	1	50	-2.0	-102.06	417.15	9.22	-92.84
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013409572	1	50	-2.0	-102.40	409.92	9.53	-92.87
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013409573	1	48	-2.0	-111.64	404.43	6.79	-104.85
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013409574	1	48	-2.0	-131.90	399.47	10.37	-121.53
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013409575	1	45	-2.0	-106.12	390.58	8.62	-97.50
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013409576	1	44	-2.0	-113.69	379.57	8.27	-105.42
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013409577	1	51	-2.0	-106.11	418.14	10.74	-95.37
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013409578	1	48	-2.0	-107.78	398.51	9.36	-98.42
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013409579	1	44	-2.0	-105.82	376.17	9.04	-96.78
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013409580	1	45	-2.0	-103.90	393.49	8.76	-95.14
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013409581	1	46	-2.0	-103.24	393.71	8.33	-94.91
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409582	1	44	-2.0	-102.26	340.49	7.62	-94.64
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)=C1	REAL300013409583	0	44	-2.0	-102.56	358.79	7.90	-94.66
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C=C1	REAL300013409584	1	44	-2.0	-99.73	362.46	7.29	-92.44
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409585	1	46	-2.0	-99.97	351.23	6.11	-93.86
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCO1	REAL300013409586	1	42	-2.0	-104.17	332.09	5.98	-98.19
CN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409587	1	40	-2.0	-111.45	322.94	7.05	-104.40
O=C([O-])C1CCC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409588	1	47	-2.0	-104.23	365.47	6.94	-97.29
O=C([O-])CCCCNC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409589	1	43	-2.0	-103.30	346.19	5.95	-97.35
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(CCCCCC3)S2)=CC=C1	REAL300013409590	1	44	-2.0	-108.24	362.46	7.28	-100.96
O=C([O-])CCCCCNC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409591	1	46	-2.0	-100.39	367.69	6.73	-93.66
CC(O)(CNC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013409592	1	41	-2.0	-106.36	331.29	2.66	-103.70
CC(C)(CNC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013409593	1	43	-2.0	-109.70	338.05	5.84	-103.86
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)=C1	REAL300013409594	0	47	-2.0	-98.94	380.19	8.70	-90.24
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409595	1	44	-2.0	-101.09	343.09	6.95	-94.14
CC(CN(C)C(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013409596	1	43	-2.0	-107.65	337.02	7.36	-100.29
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409597	1	47	-2.0	-110.41	357.09	8.79	-101.62
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409598	1	47	-2.0	-102.63	352.15	7.81	-94.82
O=C([O-])CCCNC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409599	1	40	-2.0	-102.28	324.70	5.17	-97.11
CC1CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1C(=O)[O-]	REAL300013409600	1	47	-2.0	-107.26	358.79	8.08	-99.18
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCOCC1	REAL300013409601	1	48	-2.0	-115.57	364.78	5.32	-110.25
CC(C)(CCNC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013409602	1	46	-2.0	-102.13	357.98	6.06	-96.07
CCC(CC)(CNC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013409603	1	49	-2.0	-116.46	365.58	7.02	-109.44
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCC1	REAL300013409604	1	44	-2.0	-119.93	345.01	6.60	-113.33
CC(CNC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013409605	1	40	-2.0	-109.13	321.74	5.13	-104.00
CC(C)C(CNC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013409606	1	46	-2.0	-116.71	360.48	6.32	-110.39
CC(NC(=O)[N-]C1=NC2=C(CCCCCC2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013409607	1	53	-2.0	-110.24	400.13	8.34	-101.90
CC(CNC(=O)[N-]C1=NC2=C(CCCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013409608	1	50	-2.0	-120.60	393.57	8.49	-112.11
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409609	1	44	-2.0	-100.99	346.49	6.35	-94.64
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409610	1	50	-2.0	-99.10	379.80	9.00	-90.10
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC3=C(CCCCCC3)S1)C2	REAL300013409611	1	46	-2.0	-120.33	358.96	5.95	-114.38
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCCC1	REAL300013409612	1	47	-2.0	-118.30	363.15	7.22	-111.08
CC1CN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCC1C(=O)[O-]	REAL300013409613	1	47	-2.0	-99.68	352.41	8.28	-91.40
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCC1	REAL300013409614	1	44	-2.0	-116.53	345.17	6.52	-110.01
O=C([O-])CC(CNC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C1CC1	REAL300013409615	1	47	-2.0	-116.09	370.20	7.16	-108.93
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409616	1	47	-2.0	-102.63	352.15	7.81	-94.82
CC(C)C[C@H](CNC(=O)[N-]C1=NC2=C(CCCCCC2)S1)CC(=O)[O-]	REAL300013409617	1	52	-2.0	-104.64	396.60	7.77	-96.87
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409618	1	41	-2.0	-115.69	330.34	6.11	-109.58
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409619	1	44	-2.0	-129.12	356.06	7.40	-121.72
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409620	1	48	-2.0	-110.66	375.07	6.05	-104.61
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409621	1	41	-2.0	-99.72	328.10	5.30	-94.42
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409623	1	44	-2.0	-105.49	339.27	7.55	-97.94
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409624	1	44	-2.0	-112.00	342.01	7.99	-104.01
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409625	1	41	-2.0	-103.44	330.15	5.72	-97.72
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409626	1	41	-2.0	-98.94	327.64	5.37	-93.57
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(CCCCCC3)S2)=CC=C1	REAL300013409627	1	44	-2.0	-108.24	362.46	7.28	-100.96
CCC(CNC(=O)[N-]C1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013409628	1	43	-2.0	-114.17	338.68	5.94	-108.23
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409629	1	50	-2.0	-125.26	375.16	9.34	-115.92
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409630	1	52	-2.0	-99.41	410.69	8.29	-91.12
O=C([O-])CCCCCCNC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409631	1	49	-2.0	-101.00	389.19	7.51	-93.49
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409632	1	43	-2.0	-112.12	344.44	7.85	-104.27
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409633	1	47	-2.0	-105.11	354.58	8.30	-96.81
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409634	1	51	-2.0	-108.83	386.80	7.43	-101.40
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409635	1	47	-2.0	-113.49	376.13	7.20	-106.29
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409636	1	50	-2.0	-103.37	380.12	8.98	-94.39
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC2=CC=CC=C21	REAL300013409637	1	48	-2.0	-125.82	372.65	10.10	-115.72
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409638	1	45	-2.0	-93.66	351.63	6.23	-87.43
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409639	1	47	-2.0	-111.10	357.19	8.53	-102.57
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C[C@H]1C1=CC=CC=C1	REAL300013409640	1	51	-2.0	-112.45	404.25	10.39	-102.06
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409641	1	45	-2.0	-103.75	349.39	5.10	-98.65
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C2=CC=CC=C21	REAL300013409642	1	48	-2.0	-105.57	385.14	8.50	-97.07
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1=O	REAL300013409643	1	51	-2.0	-139.62	391.14	7.47	-132.15
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)=C1	REAL300013409644	0	41	-2.0	-109.31	339.16	7.89	-101.42
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409645	1	51	-2.0	-105.21	383.36	7.70	-97.51
O=C([O-])C12CC(NC(=O)[N-]C3=NC4=C(CCCCCC4)S3)(C1)C2	REAL300013409646	1	42	-2.0	-101.17	337.84	5.55	-95.62
O=C([O-])CC1(CNC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCCCC1	REAL300013409647	1	53	-2.0	-123.07	386.11	7.93	-115.14
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409648	1	47	-2.0	-105.34	358.58	6.98	-98.36
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409649	1	50	-2.0	-96.80	381.85	7.22	-89.58
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409650	1	47	-2.0	-99.86	357.48	8.23	-91.63
O=C([O-])COC1CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409651	1	48	-2.0	-100.02	374.08	7.65	-92.37
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409652	1	47	-2.0	-103.68	365.47	6.94	-96.74
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409653	1	47	-2.0	-103.49	360.51	7.35	-96.14
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCCOC1	REAL300013409654	1	48	-2.0	-117.94	367.03	5.53	-112.41
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCOC1	REAL300013409655	1	45	-2.0	-113.49	351.84	4.50	-108.99
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409656	1	45	-2.0	-127.99	348.15	7.79	-120.20
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC3=C(CCCCCC3)S1)C2	REAL300013409657	1	42	-2.0	-107.75	341.44	6.44	-101.31
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC1	REAL300013409658	1	41	-2.0	-115.69	330.34	6.11	-109.58
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CC12CCC2	REAL300013409659	1	48	-2.0	-104.49	367.24	8.14	-96.35
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409660	1	44	-2.0	-101.77	359.42	7.20	-94.57
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCO1	REAL300013409661	1	45	-2.0	-109.53	349.26	7.21	-102.32
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409662	1	48	-2.0	-109.32	374.23	6.95	-102.37
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NC4=C(CCCCCC4)S3)=CC=C21	REAL300013409663	0	48	-2.0	-110.66	392.05	9.39	-101.27
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(CCCCCC3)S2)C1	REAL300013409664	1	41	-2.0	-102.10	325.27	6.44	-95.66
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC3=C(CCCCCC3)S1)C2	REAL300013409665	1	42	-2.0	-105.24	341.28	6.46	-98.78
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(CCCCCC3)S2)CCCCC1	REAL300013409666	1	50	-2.0	-125.48	368.86	8.36	-117.12
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CCCCCC2)S1	REAL300013409667	1	43	-2.0	-105.00	344.45	6.17	-98.83
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC1	REAL300013409668	1	48	-2.0	-104.42	393.58	10.64	-93.78
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013409669	1	50	-2.0	-98.34	402.68	8.72	-89.62
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCO1	REAL300013409670	1	46	-2.0	-108.22	385.19	9.02	-99.20
CN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013409671	1	44	-2.0	-109.70	374.39	9.65	-100.05
O=C([O-])C1CCC(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC1	REAL300013409672	1	51	-2.0	-102.95	416.54	9.56	-93.39
O=C([O-])CCCCNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013409673	1	47	-2.0	-101.80	397.64	8.56	-93.24
O=C([O-])CCNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013409674	1	41	-2.0	-106.65	354.64	6.98	-99.67
O=C([O-])CCCCCNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013409675	1	50	-2.0	-98.97	419.14	9.34	-89.63
CC(O)(CNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013409676	1	45	-2.0	-104.34	383.15	5.33	-99.01
CC(C)(CNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013409677	1	47	-2.0	-107.82	389.50	8.45	-99.37
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013409678	1	48	-2.0	-116.67	396.13	10.04	-106.63
CC(CN(C)C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013409679	1	47	-2.0	-112.09	388.72	10.20	-101.89
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013409680	1	51	-2.0	-108.75	413.29	11.13	-97.62
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC1	REAL300013409681	1	51	-2.0	-104.68	405.49	10.83	-93.85
O=C([O-])CCCNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013409682	1	44	-2.0	-100.58	376.14	7.78	-92.80
CC1CCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC1C(=O)[O-]	REAL300013409683	1	51	-2.0	-110.33	408.27	11.00	-99.33
CC(C)(CCNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013409684	1	50	-2.0	-100.34	408.85	8.65	-91.69
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCC1	REAL300013409685	1	48	-2.0	-118.32	396.09	9.23	-109.09
CC(CNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013409686	1	44	-2.0	-107.22	373.19	7.74	-99.48
CC(C)C(CNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013409687	1	50	-2.0	-114.68	411.94	8.94	-105.74
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013409688	1	48	-2.0	-99.62	397.59	8.97	-90.65
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCCC1	REAL300013409689	1	51	-2.0	-116.14	414.60	9.84	-106.30
CC1CN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCC1C(=O)[O-]	REAL300013409690	1	51	-2.0	-101.87	405.49	11.31	-90.56
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CCC1	REAL300013409691	1	48	-2.0	-114.45	396.63	9.13	-105.32
O=C([O-])CC(CNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C1CC1	REAL300013409692	1	51	-2.0	-114.16	421.65	9.77	-104.39
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC1	REAL300013409693	1	51	-2.0	-104.68	405.49	10.83	-93.85
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC1	REAL300013409694	1	45	-2.0	-113.64	381.79	8.72	-104.92
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013409695	1	45	-2.0	-101.90	381.58	8.34	-93.56
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013409696	1	48	-2.0	-109.86	392.39	10.56	-99.30
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013409697	1	48	-2.0	-110.09	393.55	10.61	-99.48
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013409698	1	45	-2.0	-101.92	381.22	8.34	-93.58
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013409699	1	45	-2.0	-101.35	381.18	8.39	-92.96
CCC(CNC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013409700	1	47	-2.0	-112.31	390.13	8.55	-103.76
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013409701	1	47	-2.0	-110.57	395.89	10.45	-100.12
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013409702	1	51	-2.0	-109.39	407.84	11.30	-98.09
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013409703	1	51	-2.0	-107.87	408.10	11.18	-96.69
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)=C1	REAL300013409704	0	45	-2.0	-107.62	390.70	10.50	-97.12
O=C([O-])C12CC(NC(=O)[N-]C3=NC4=C(CC(C5=CC=CC=C5)CC4)S3)(C1)C2	REAL300013409705	1	46	-2.0	-104.73	391.45	8.56	-96.17
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC1	REAL300013409706	1	51	-2.0	-105.98	410.81	9.95	-96.03
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC1	REAL300013409707	1	51	-2.0	-101.22	410.58	11.25	-89.97
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013409708	1	51	-2.0	-102.30	416.58	9.55	-92.75
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013409709	1	51	-2.0	-101.94	411.58	9.97	-91.97
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013409710	1	49	-2.0	-104.46	397.13	10.74	-93.72
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC3=C(CC(C4=CC=CC=C4)CC3)S1)C2	REAL300013409711	1	46	-2.0	-106.00	392.79	9.06	-96.94
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)CC1	REAL300013409712	1	45	-2.0	-113.64	381.79	8.72	-104.92
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(CC(C4=CC=CC=C4)CC3)S2)C1	REAL300013409713	1	45	-2.0	-105.77	378.37	9.47	-96.30
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC3=C(CC(C4=CC=CC=C4)CC3)S1)C2	REAL300013409714	1	46	-2.0	-103.89	392.39	9.07	-94.82
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1	REAL300013409715	1	47	-2.0	-103.23	395.90	8.78	-94.45
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])CC1)=N2	REAL300013409716	1	47	-2.0	-104.51	377.23	9.23	-95.28
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC(=O)[O-])=C1)=N2	REAL300013409717	0	47	-2.0	-101.08	393.90	9.08	-92.00
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=C(C(=O)[O-])C=C1)=N2	REAL300013409718	1	47	-2.0	-98.40	397.56	8.47	-89.93
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2	REAL300013409719	1	49	-2.0	-98.45	386.34	7.29	-91.16
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCOC(C(=O)[O-])C1)=N2	REAL300013409720	1	45	-2.0	-108.36	368.80	7.59	-100.77
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)CCC(=O)[O-])=N2	REAL300013409721	1	43	-2.0	-109.82	358.04	8.22	-101.60
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1CCC(C(=O)[O-])CC1)=N2	REAL300013409722	1	50	-2.0	-103.00	400.19	8.13	-94.87
CCCC1CCC2=C(C1)SC([N-]C(=O)NCCCCC(=O)[O-])=N2	REAL300013409723	1	46	-2.0	-101.83	381.30	7.13	-94.70
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)=N2	REAL300013409724	1	47	-2.0	-106.50	397.57	8.46	-98.04
CCCC1CCC2=C(C1)SC([N-]C(=O)NCCC(=O)[O-])=N2	REAL300013409725	1	40	-2.0	-106.79	338.30	5.56	-101.23
CCCC1CCC2=C(C1)SC([N-]C(=O)NCCCCCC(=O)[O-])=N2	REAL300013409726	1	49	-2.0	-99.00	402.80	7.91	-91.09
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2	REAL300013409727	1	44	-2.0	-104.49	366.80	3.89	-100.60
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2	REAL300013409728	1	46	-2.0	-108.24	373.74	7.01	-101.23
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CCC(=O)[O-])=C1)=N2	REAL300013409729	0	50	-2.0	-97.64	415.29	9.88	-87.76
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])C1)=N2	REAL300013409730	1	47	-2.0	-116.90	379.79	8.61	-108.29
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N2	REAL300013409731	1	46	-2.0	-112.76	373.18	8.80	-103.96
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC(C)CC(C(=O)[O-])C1)=N2	REAL300013409732	1	50	-2.0	-109.02	396.87	9.70	-99.32
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)=N2	REAL300013409733	1	50	-2.0	-104.82	389.15	9.40	-95.42
CCCC1CCC2=C(C1)SC([N-]C(=O)NCCCC(=O)[O-])=N2	REAL300013409734	1	43	-2.0	-100.67	359.80	6.35	-94.32
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)C(C(=O)[O-])C1)=N2	REAL300013409735	1	50	-2.0	-111.48	387.91	9.40	-102.08
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCOCC1)=N2	REAL300013409736	1	51	-2.0	-113.58	399.88	6.52	-107.06
CCCC1CCC2=C(C1)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2	REAL300013409737	1	49	-2.0	-100.50	392.50	7.22	-93.28
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N2	REAL300013409738	1	52	-2.0	-115.91	405.40	8.03	-107.88
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(CC(=O)[O-])CCC1)=N2	REAL300013409739	1	47	-2.0	-118.52	379.74	7.79	-110.73
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC(C)C(=O)[O-])=N2	REAL300013409740	1	43	-2.0	-107.41	356.85	6.31	-101.10
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N2	REAL300013409741	1	49	-2.0	-114.83	395.59	7.51	-107.32
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)=N2	REAL300013409742	1	56	-2.0	-109.12	434.77	9.50	-99.62
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)=N2	REAL300013409743	1	47	-2.0	-99.71	381.22	7.55	-92.16
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(CCC(=O)[O-])CC1)=N2	REAL300013409744	1	53	-2.0	-100.97	416.54	10.60	-90.37
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)=N2	REAL300013409745	1	49	-2.0	-118.56	393.63	7.12	-111.44
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCCC1)=N2	REAL300013409746	1	50	-2.0	-116.28	398.26	8.40	-107.88
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])C(C)C1)=N2	REAL300013409747	1	50	-2.0	-101.94	389.13	9.88	-92.06
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCC1)=N2	REAL300013409748	1	47	-2.0	-114.59	380.30	7.70	-106.89
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC(CC(=O)[O-])C1CC1)=N2	REAL300013409749	1	50	-2.0	-114.42	405.30	8.34	-106.08
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)=N2	REAL300013409750	1	50	-2.0	-104.82	389.15	9.40	-95.42
CCCC1CCC2=C(C1)SC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N2	REAL300013409751	1	55	-2.0	-117.67	426.31	8.73	-108.94
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CC1)=N2	REAL300013409752	1	44	-2.0	-113.84	365.46	7.29	-106.55
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=CC=C1C(=O)[O-])=N2	REAL300013409753	1	47	-2.0	-126.74	391.17	8.58	-118.16
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(COC)(C(=O)[O-])C1)=N2	REAL300013409754	1	51	-2.0	-113.88	410.95	8.19	-105.69
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)=N2	REAL300013409755	1	44	-2.0	-101.91	364.97	6.91	-95.00
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300013409757	1	47	-2.0	-110.01	376.06	9.13	-100.88
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H](C(=O)[O-])C1)=N2	REAL300013409758	1	47	-2.0	-110.21	377.19	9.18	-101.03
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1CC(C(=O)[O-])C1)=N2	REAL300013409759	1	44	-2.0	-102.10	364.89	6.91	-95.19
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)=N2	REAL300013409760	1	44	-2.0	-101.49	364.85	6.96	-94.53
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)=N2	REAL300013409761	1	47	-2.0	-106.50	397.57	8.46	-98.04
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC(CC)C(=O)[O-])=N2	REAL300013409762	1	46	-2.0	-113.57	378.80	7.02	-106.55
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1CCC(=O)[O-])=N2	REAL300013409763	1	53	-2.0	-123.75	409.90	10.53	-113.22
CCCC1CCC2=C(C1)SC([N-]C(=O)NCCCCCCCC(=O)[O-])=N2	REAL300013409764	1	55	-2.0	-98.07	445.80	9.48	-88.59
CCCC1CCC2=C(C1)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N2	REAL300013409765	1	52	-2.0	-99.71	424.30	8.69	-91.02
CCCC1CCC2=C(C1)SC([N-]C(=O)N(C)CCCC(=O)[O-])=N2	REAL300013409766	1	46	-2.0	-110.67	379.54	9.02	-101.65
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC(C)(C(=O)[O-])C1)=N2	REAL300013409767	1	50	-2.0	-109.54	391.80	9.88	-99.66
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC(COC)(C(=O)[O-])C1)=N2	REAL300013409768	1	54	-2.0	-113.70	423.80	9.05	-104.65
CCCC1CCC2=C(C1)SC([N-]C(=O)N(CCOC)CCC(=O)[O-])=N2	REAL300013409769	1	50	-2.0	-111.68	411.23	8.38	-103.30
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC(CCC(=O)[O-])C1)=N2	REAL300013409770	1	53	-2.0	-107.02	416.83	10.59	-96.43
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC3=CC=CC=C3C(C(=O)[O-])C1)=N2	REAL300013409771	1	51	-2.0	-131.09	409.45	11.75	-119.34
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCN(C(=O)C(=O)[O-])CC1)=N2	REAL300013409772	1	48	-2.0	-95.42	388.62	7.83	-87.59
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC(C(=O)[O-])CCC1C)=N2	REAL300013409773	1	50	-2.0	-109.55	391.92	9.71	-99.84
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)(C(=O)[O-])C1)=N2	REAL300013409774	1	48	-2.0	-107.69	386.07	6.71	-100.98
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1CC(C(=O)[O-])C3=CC=CC=C31)=N2	REAL300013409775	1	51	-2.0	-103.95	420.24	9.68	-94.27
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1=CN(CC(=O)[O-])C=N1)=N2	REAL300013409776	0	44	-2.0	-107.75	374.27	9.08	-98.67
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(COC)(C(=O)[O-])CC1)=N2	REAL300013409777	1	54	-2.0	-107.28	420.13	9.34	-97.94
CCCC1CCC2=C(C1)SC([N-]C(=O)NC13CC(C(=O)[O-])(C1)C3)=N2	REAL300013409778	1	45	-2.0	-104.79	375.01	7.14	-97.65
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC1(CC(=O)[O-])CCCCC1)=N2	REAL300013409779	1	56	-2.0	-121.37	421.21	9.11	-112.26
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)=N2	REAL300013409780	1	50	-2.0	-106.52	395.77	8.56	-97.96
CCCC1CCC2=C(C1)SC([N-]C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)=N2	REAL300013409781	1	53	-2.0	-99.25	419.95	8.86	-90.39
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(CC(=O)[O-])CC1)=N2	REAL300013409782	1	50	-2.0	-101.25	394.22	9.82	-91.43
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(OCC(=O)[O-])CC1)=N2	REAL300013409783	1	51	-2.0	-102.00	410.82	9.24	-92.76
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300013409784	1	50	-2.0	-102.40	400.20	8.13	-94.27
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1CCCC(C(=O)[O-])C1)=N2	REAL300013409785	1	50	-2.0	-102.09	395.25	8.54	-93.55
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCCOC1)=N2	REAL300013409786	1	51	-2.0	-115.86	402.13	6.72	-109.14
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCOC1)=N2	REAL300013409787	1	48	-2.0	-111.83	386.94	5.68	-106.15
CCCC1CCC2=C(C1)SC([N-]C(=O)N1C3CCC1C(C(=O)[O-])C3)=N2	REAL300013409788	1	48	-2.0	-104.61	380.78	9.30	-95.31
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300013409789	1	45	-2.0	-106.15	376.44	7.63	-98.52
CCCC1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CC1)=N2	REAL300013409790	1	44	-2.0	-113.84	365.46	7.29	-106.55
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC(C(=O)[O-])C3(CCC3)C1)=N2	REAL300013409791	1	51	-2.0	-106.12	403.99	9.75	-96.37
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCOC(C)(C(=O)[O-])C1)=N2	REAL300013409792	1	48	-2.0	-107.86	384.36	8.38	-99.48
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CC(OC)CC(C(=O)[O-])C1)=N2	REAL300013409793	1	51	-2.0	-107.66	409.26	8.13	-99.53
CCCC1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])C1)=N2	REAL300013409794	1	44	-2.0	-106.35	361.68	8.04	-98.31
CCCC1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300013409795	1	45	-2.0	-103.89	376.05	7.66	-96.23
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1(CC(=O)[O-])CCCCC1)=N2	REAL300013409796	1	53	-2.0	-122.82	403.95	9.54	-113.28
CCCC1CCC2=C(C1)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N2	REAL300013409797	1	46	-2.0	-103.31	379.56	7.35	-95.96
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013409798	1	36	-2.0	-98.56	305.02	4.40	-94.16
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)=C1	REAL300013409799	0	36	-2.0	-95.21	321.68	4.24	-90.97
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC3=C(COCC3)S2)C=C1	REAL300013409800	1	36	-2.0	-93.61	325.35	3.64	-89.97
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013409801	1	38	-2.0	-93.22	314.13	2.45	-90.77
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)CCO1	REAL300013409802	1	34	-2.0	-100.04	296.53	2.75	-97.29
O=C([N-]C1=NC2=C(COCC2)S1)NC1CCC(C(=O)[O-])CC1	REAL300013409803	1	39	-2.0	-96.25	327.99	3.30	-92.95
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(COCC3)S2)=CC=C1	REAL300013409804	1	36	-2.0	-100.98	325.36	3.62	-97.36
O=C([O-])CCCCCNC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013409805	1	38	-2.0	-93.41	330.59	3.08	-90.33
CC(O)(CNC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013409806	1	33	-2.0	-96.75	294.19	-0.98	-97.73
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013409807	1	46	-2.0	-100.64	376.39	7.65	-92.99
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)=C1	REAL300013409808	0	39	-2.0	-92.18	343.08	5.04	-87.14
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013409809	1	36	-2.0	-97.03	307.62	3.73	-93.30
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013409810	1	39	-2.0	-104.55	325.30	4.91	-99.64
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013409811	1	39	-2.0	-98.47	316.94	4.58	-93.89
CC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1C(=O)[O-]	REAL300013409812	1	39	-2.0	-102.91	323.33	4.85	-98.06
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(COCC3)S2)CCOCC1	REAL300013409813	1	40	-2.0	-104.63	328.67	1.50	-103.13
CC(C)(CCNC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013409814	1	38	-2.0	-94.61	320.30	2.39	-92.22
CCC(CC)(CNC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013409815	1	41	-2.0	-108.72	333.19	3.20	-105.52
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCC1	REAL300013409816	1	36	-2.0	-111.28	307.53	2.95	-108.33
O=C([O-])C1CC(=O)N(C2CCN(C(=O)[N-]C3=NC4=C(COCC4)S3)CC2)C1	REAL300013409817	1	47	-2.0	-94.65	383.86	5.16	-89.49
CC(C)C(CNC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013409818	1	38	-2.0	-107.51	323.38	2.67	-104.84
CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013409819	1	45	-2.0	-102.25	362.99	4.64	-97.61
CC(CNC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013409820	1	42	-2.0	-111.05	356.47	4.84	-106.21
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013409821	1	36	-2.0	-94.40	309.00	2.80	-91.60
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013409822	1	42	-2.0	-95.85	344.33	5.78	-90.07
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300013409823	1	38	-2.0	-97.24	320.71	2.39	-94.85
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(COCC3)S2)CCCC1	REAL300013409824	1	39	-2.0	-109.04	326.05	3.57	-105.47
CC1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)CCC1C(=O)[O-]	REAL300013409825	1	39	-2.0	-96.02	316.91	5.05	-90.97
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(COCC3)S2)CCC1	REAL300013409826	1	36	-2.0	-107.54	308.07	2.87	-104.67
O=C([O-])CC(CNC(=O)[N-]C1=NC2=C(COCC2)S1)C1CC1	REAL300013409827	1	39	-2.0	-105.39	333.09	3.51	-101.88
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013409828	1	39	-2.0	-98.47	316.94	4.58	-93.89
CC(C)C[C@H](CNC(=O)[N-]C1=NC2=C(COCC2)S1)CC(=O)[O-]	REAL300013409829	1	44	-2.0	-107.57	354.08	3.95	-103.62
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013409830	1	36	-2.0	-118.39	318.96	3.74	-114.65
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013409831	1	40	-2.0	-106.29	339.60	2.82	-103.47
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NC4=C(COCC4)S3)C2)C=N1	REAL300013409833	1	46	-2.0	-122.72	382.20	5.76	-116.96
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013409834	1	36	-2.0	-101.17	303.78	4.31	-96.86
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013409835	1	36	-2.0	-101.63	304.96	4.35	-97.28
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(COCC3)S2)=CC=C1	REAL300013409836	1	36	-2.0	-100.98	325.36	3.62	-97.36
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC3=C(COCC3)S1)CC2C(=O)[O-]	REAL300013409837	1	46	-2.0	-103.31	387.86	5.62	-97.69
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013409838	1	42	-2.0	-113.76	337.68	5.69	-108.07
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013409839	1	44	-2.0	-92.58	373.59	4.64	-87.94
O=C([O-])CCCCCCNC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013409840	1	41	-2.0	-93.76	352.09	3.86	-89.90
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013409841	1	39	-2.0	-100.91	319.59	5.06	-95.85
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013409842	1	43	-2.0	-104.69	351.28	4.23	-100.46
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013409843	1	39	-2.0	-107.69	339.03	3.55	-104.14
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013409844	1	42	-2.0	-99.51	344.66	5.76	-93.75
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC2=CC=CC=C21	REAL300013409845	1	40	-2.0	-120.47	337.24	6.89	-113.58
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)CCO1	REAL300013409846	1	47	-2.0	-94.73	391.92	3.94	-90.79
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013409847	1	37	-2.0	-90.16	316.41	3.00	-87.16
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013409848	1	39	-2.0	-105.11	319.71	4.87	-100.24
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)C[C@H]1C1=CC=CC=C1	REAL300013409849	1	43	-2.0	-104.69	366.76	6.74	-97.95
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013409850	1	37	-2.0	-99.76	313.85	1.87	-97.89
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)C2=CC=CC=C21	REAL300013409851	1	40	-2.0	-96.69	343.60	4.63	-92.06
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC3=C(COCC3)S2)C1=O	REAL300013409852	1	43	-2.0	-126.73	353.66	3.83	-122.90
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=C(COCC3)S2)=C1	REAL300013409853	0	33	-2.0	-99.93	302.06	4.24	-95.69
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013409854	1	43	-2.0	-101.47	347.91	4.51	-96.96
O=C([O-])C12CC(NC(=O)[N-]C3=NC4=C(COCC4)S3)(C1)C2	REAL300013409855	1	34	-2.0	-97.22	302.80	2.31	-94.91
O=C([O-])CC1(CNC(=O)[N-]C2=NC3=C(COCC3)S2)CCCCC1	REAL300013409856	1	45	-2.0	-112.02	349.00	4.28	-107.74
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013409857	1	39	-2.0	-101.09	322.24	3.68	-97.41
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013409858	1	42	-2.0	-94.11	347.72	4.02	-90.09
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013409859	1	39	-2.0	-96.22	322.02	5.00	-91.22
O=C([O-])COC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013409860	1	40	-2.0	-96.83	338.62	4.43	-92.40
O=C([N-]C1=NC2=C(COCC2)S1)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013409861	1	39	-2.0	-96.34	327.99	3.30	-93.04
O=C([N-]C1=NC2=C(COCC2)S1)NC1CCCC(C(=O)[O-])C1	REAL300013409862	1	39	-2.0	-96.33	327.98	3.30	-93.03
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(COCC3)S2)CCCOC1	REAL300013409863	1	40	-2.0	-108.38	329.92	1.89	-106.49
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(COCC3)S2)CCOC1	REAL300013409864	1	37	-2.0	-104.96	314.73	0.84	-104.12
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013409865	1	37	-2.0	-123.17	313.11	4.55	-118.62
CC(C)(CC1=CC=C(CNC(=O)[N-]C2=NC3=C(COCC3)S2)C=C1)C(=O)[O-]	REAL300013409866	1	48	-2.0	-91.12	399.97	6.00	-85.12
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300013409867	1	34	-2.0	-100.28	304.21	2.80	-97.48
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC12CCC2	REAL300013409868	1	40	-2.0	-100.49	331.83	4.91	-95.58
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013409869	1	36	-2.0	-97.45	323.95	3.98	-93.47
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(COCC3)S2)CCO1	REAL300013409870	1	37	-2.0	-99.72	312.15	3.56	-96.16
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013409871	1	40	-2.0	-99.32	337.03	3.31	-96.01
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NC4=C(COCC4)S3)=CC=C21	REAL300013409872	0	40	-2.0	-101.57	354.95	5.73	-95.84
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300013409873	1	34	-2.0	-97.04	303.81	2.81	-94.23
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCCCC1	REAL300013409874	1	42	-2.0	-115.31	331.75	4.70	-110.61
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])CC1)=N2	REAL300013409875	1	50	-2.0	-104.65	385.29	9.20	-95.45
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC(=O)[O-])=C1)=N2	REAL300013409876	0	50	-2.0	-101.12	401.97	9.08	-92.04
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=C(C(=O)[O-])C=C1)=N2	REAL300013409877	1	50	-2.0	-98.35	405.63	8.47	-89.88
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2	REAL300013409878	1	52	-2.0	-98.51	394.41	7.30	-91.21
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCOC(C(=O)[O-])C1)=N2	REAL300013409879	1	48	-2.0	-108.42	376.91	7.60	-100.82
CN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013409880	1	46	-2.0	-109.99	366.12	8.23	-101.76
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1CCC(C(=O)[O-])CC1)=N2	REAL300013409881	1	53	-2.0	-103.04	408.26	8.13	-94.91
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCCC(=O)[O-])=N2	REAL300013409882	1	49	-2.0	-101.92	389.37	7.14	-94.78
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)=N2	REAL300013409883	1	50	-2.0	-106.66	405.64	8.46	-98.20
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCC(=O)[O-])=N2	REAL300013409884	1	43	-2.0	-106.90	346.38	5.56	-101.34
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCCCC(=O)[O-])=N2	REAL300013409885	1	52	-2.0	-99.02	410.87	7.92	-91.10
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2	REAL300013409886	1	47	-2.0	-104.57	374.88	3.91	-100.66
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2	REAL300013409887	1	49	-2.0	-108.10	381.23	7.03	-101.07
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])C1)=N2	REAL300013409888	1	50	-2.0	-104.70	387.90	8.58	-96.12
CC(CN(C)C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013409889	1	49	-2.0	-112.84	381.26	8.81	-104.03
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C1	REAL300013409890	1	53	-2.0	-108.96	404.94	9.71	-99.25
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)=N2	REAL300013409891	1	53	-2.0	-104.92	397.21	9.39	-95.53
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCC(=O)[O-])=N2	REAL300013409892	1	46	-2.0	-100.72	367.88	6.36	-94.36
CC1CCN(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)CC1C(=O)[O-]	REAL300013409893	1	53	-2.0	-110.58	399.99	9.57	-101.01
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCOCC1)=N2	REAL300013409894	1	54	-2.0	-113.65	407.96	6.52	-107.13
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2	REAL300013409895	1	52	-2.0	-100.55	401.16	7.24	-93.31
CCC(CC)(CNC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013409896	1	55	-2.0	-114.83	408.76	8.20	-106.63
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(CC(=O)[O-])CCC1)=N2	REAL300013409897	1	50	-2.0	-118.61	387.82	7.80	-110.81
CC(CNC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013409898	1	46	-2.0	-107.04	364.05	6.30	-100.74
CC(C)C(CNC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013409899	1	52	-2.0	-113.92	397.40	7.65	-106.27
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)=N2	REAL300013409900	1	50	-2.0	-99.75	389.33	7.56	-92.19
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(CCC(=O)[O-])CC1)=N2	REAL300013409901	1	56	-2.0	-100.99	424.60	10.60	-90.39
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)=N2	REAL300013409902	1	52	-2.0	-118.58	401.74	7.13	-111.45
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCCC1)=N2	REAL300013409903	1	53	-2.0	-116.39	406.33	8.41	-107.98
CC1CN(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)CCC1C(=O)[O-]	REAL300013409904	1	53	-2.0	-102.01	397.22	9.89	-92.12
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCC1)=N2	REAL300013409905	1	50	-2.0	-114.61	388.36	7.71	-106.90
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(CC(=O)[O-])C1CC1)=N2	REAL300013409906	1	53	-2.0	-114.56	413.38	8.35	-106.21
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)=N2	REAL300013409907	1	53	-2.0	-104.92	397.21	9.39	-95.53
CC(C)C[C@H](CNC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)CC(=O)[O-]	REAL300013409908	1	58	-2.0	-117.72	434.39	8.74	-108.98
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CC1)=N2	REAL300013409909	1	47	-2.0	-113.84	373.53	7.30	-106.54
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=CC=C1C(=O)[O-])=N2	REAL300013409910	1	50	-2.0	-126.86	399.24	8.58	-118.28
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C1	REAL300013409911	1	54	-2.0	-115.26	419.88	7.67	-107.59
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)=N2	REAL300013409912	1	47	-2.0	-102.24	373.02	6.91	-95.33
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300013409914	1	50	-2.0	-110.17	384.14	9.13	-101.04
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H](C(=O)[O-])C1)=N2	REAL300013409915	1	50	-2.0	-110.34	385.29	9.18	-101.16
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1CC(C(=O)[O-])C1)=N2	REAL300013409916	1	47	-2.0	-102.10	372.95	6.92	-95.18
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)=N2	REAL300013409917	1	47	-2.0	-101.36	373.22	6.96	-94.40
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)=N2	REAL300013409918	1	50	-2.0	-106.66	405.64	8.46	-98.20
CCC(CNC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013409919	1	49	-2.0	-113.57	386.88	7.02	-106.55
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1CCC(=O)[O-])=N2	REAL300013409920	1	56	-2.0	-123.94	417.97	10.54	-113.40
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCCCCCC(=O)[O-])=N2	REAL300013409921	1	58	-2.0	-98.08	453.87	9.48	-88.60
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N2	REAL300013409922	1	55	-2.0	-99.70	432.37	8.70	-91.00
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013409923	1	49	-2.0	-110.80	387.62	9.03	-101.77
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC(C)(C(=O)[O-])C1)=N2	REAL300013409924	1	53	-2.0	-109.63	399.88	9.89	-99.74
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013409925	1	53	-2.0	-111.75	419.31	8.39	-103.36
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC(CCC(=O)[O-])C1)=N2	REAL300013409926	1	56	-2.0	-107.13	424.94	10.59	-96.54
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCN(C(=O)C(=O)[O-])CC1)=N2	REAL300013409927	1	51	-2.0	-95.50	396.69	7.84	-87.66
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013409928	1	53	-2.0	-109.69	399.99	9.72	-99.97
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)(C(=O)[O-])C1)=N2	REAL300013409929	1	51	-2.0	-107.88	394.20	6.71	-101.17
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1=CN(CC(=O)[O-])C=N1)=N2	REAL300013409930	0	47	-2.0	-107.82	382.34	9.07	-98.75
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC13CC(C(=O)[O-])(C1)C3)=N2	REAL300013409931	1	48	-2.0	-104.83	383.08	7.15	-97.68
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)=N2	REAL300013409932	1	53	-2.0	-106.17	402.53	8.52	-97.65
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)=N2	REAL300013409933	1	56	-2.0	-99.28	428.07	8.88	-90.40
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(CC(=O)[O-])CC1)=N2	REAL300013409934	1	53	-2.0	-101.29	402.29	9.82	-91.47
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(OCC(=O)[O-])CC1)=N2	REAL300013409935	1	54	-2.0	-102.02	418.89	9.24	-92.78
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300013409936	1	53	-2.0	-102.42	408.29	8.14	-94.28
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1CCCC(C(=O)[O-])C1)=N2	REAL300013409937	1	53	-2.0	-102.12	403.33	8.55	-93.57
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCCOC1)=N2	REAL300013409938	1	54	-2.0	-115.91	410.21	6.72	-109.19
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCOC1)=N2	REAL300013409939	1	51	-2.0	-111.91	395.02	5.69	-106.22
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C3CCC1C(C(=O)[O-])C3)=N2	REAL300013409940	1	51	-2.0	-104.76	388.86	9.31	-95.45
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300013409941	1	48	-2.0	-106.15	384.54	7.64	-98.51
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CC1)=N2	REAL300013409942	1	47	-2.0	-113.84	373.53	7.30	-106.54
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(C(=O)[O-])C3(CCC3)C1)=N2	REAL300013409943	1	54	-2.0	-106.24	412.10	9.76	-96.48
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCOC(C)(C(=O)[O-])C1)=N2	REAL300013409944	1	51	-2.0	-107.93	392.43	8.40	-99.53
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C1	REAL300013409945	1	54	-2.0	-107.81	417.32	8.13	-99.68
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])C1)=N2	REAL300013409946	1	47	-2.0	-106.41	369.75	8.05	-98.36
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300013409947	1	48	-2.0	-103.91	384.10	7.66	-96.25
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(CC(=O)[O-])CCCCC1)=N2	REAL300013409948	1	56	-2.0	-123.01	412.03	9.55	-113.46
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300013409949	1	49	-2.0	-103.34	387.63	7.35	-95.99
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300013409965	1	38	-2.0	-98.26	316.78	6.74	-91.52
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)=C1	REAL300013409966	0	38	-2.0	-94.94	333.45	6.58	-88.36
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC(C3CCC3)=CS2)C=C1	REAL300013409967	1	38	-2.0	-93.29	337.12	5.97	-87.32
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013409968	1	40	-2.0	-93.06	325.90	4.79	-88.27
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CCO1	REAL300013409969	1	36	-2.0	-99.88	308.28	5.08	-94.80
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300013409970	1	41	-2.0	-96.04	339.77	5.64	-90.40
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3CCC3)=CS2)=CC=C1	REAL300013409971	1	38	-2.0	-100.65	337.12	5.97	-94.68
O=C([O-])CCCCCNC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013409972	1	40	-2.0	-93.15	342.35	5.42	-87.73
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300013409973	1	48	-2.0	-100.49	388.15	10.00	-90.49
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)=C1	REAL300013409974	0	41	-2.0	-91.95	354.85	7.38	-84.57
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013409975	1	38	-2.0	-96.95	319.34	6.08	-90.87
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013409976	1	41	-2.0	-104.51	332.40	7.50	-97.01
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300013409977	1	41	-2.0	-98.53	328.70	6.91	-91.62
CC1CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1C(=O)[O-]	REAL300013409978	1	41	-2.0	-102.79	335.07	7.20	-95.59
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCC3)=CS2)CCOCC1	REAL300013409979	1	42	-2.0	-106.35	339.44	4.01	-102.34
CC(C)(CCNC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013409980	1	40	-2.0	-94.44	332.06	4.74	-89.70
CCC(CC)(CNC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013409981	1	43	-2.0	-107.85	342.30	5.87	-101.98
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCC1	REAL300013409982	1	38	-2.0	-111.17	319.30	5.29	-105.88
O=C([O-])C1CC(=O)N(C2CCN(C(=O)[N-]C3=NC(C4CCC4)=CS3)CC2)C1	REAL300013409983	1	49	-2.0	-94.65	395.62	7.49	-87.16
CC(C)C(CNC(=O)[N-]C1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013409984	1	40	-2.0	-107.66	335.14	5.01	-102.65
CC(NC(=O)[N-]C1=NC(C2CCC2)=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013409985	1	47	-2.0	-102.01	371.70	6.41	-95.60
CC(CNC(=O)[N-]C1=NC(C2CCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013409986	1	44	-2.0	-109.64	362.85	7.41	-102.23
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013409987	1	38	-2.0	-94.16	320.76	5.14	-89.02
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300013409988	1	44	-2.0	-95.46	356.09	8.12	-87.34
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC(C3CCC3)=CS1)C2	REAL300013409989	1	40	-2.0	-109.73	333.15	4.64	-105.09
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCC3)=CS2)CCCC1	REAL300013409990	1	41	-2.0	-108.05	336.04	5.63	-102.42
CC1CN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CCC1C(=O)[O-]	REAL300013409991	1	41	-2.0	-99.06	335.12	7.23	-91.83
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCC3)=CS2)CCC1	REAL300013409992	1	38	-2.0	-107.50	319.84	5.21	-102.29
O=C([O-])CC(CNC(=O)[N-]C1=NC(C2CCC2)=CS1)C1CC1	REAL300013409993	1	41	-2.0	-105.54	344.88	5.85	-99.69
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300013409994	1	41	-2.0	-98.53	328.70	6.91	-91.62
CC(C)C[C@H](CNC(=O)[N-]C1=NC(C2CCC2)=CS1)CC(=O)[O-]	REAL300013409995	1	46	-2.0	-108.82	365.89	6.24	-102.58
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013409996	1	38	-2.0	-118.12	330.76	6.07	-112.05
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013409997	1	42	-2.0	-110.58	352.92	5.15	-105.43
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NC(C4CCC4)=CS3)C2)C=N1	REAL300013409999	1	48	-2.0	-122.58	393.97	8.10	-114.48
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013410000	1	38	-2.0	-101.30	316.24	6.67	-94.63
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013410001	1	38	-2.0	-101.49	316.73	6.71	-94.78
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3CCC3)=CS2)=CC=C1	REAL300013410002	1	38	-2.0	-100.65	337.12	5.97	-94.68
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC(C3CCC3)=CS1)CC2C(=O)[O-]	REAL300013410003	1	48	-2.0	-103.32	399.62	7.96	-95.36
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013410004	1	44	-2.0	-114.10	350.01	8.06	-106.04
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013410005	1	46	-2.0	-92.35	385.35	6.99	-85.36
O=C([O-])CCCCCCNC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013410006	1	43	-2.0	-93.52	363.85	6.20	-87.32
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013410007	1	41	-2.0	-100.89	331.36	7.40	-93.49
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013410008	1	45	-2.0	-105.04	363.37	6.57	-98.47
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013410009	1	41	-2.0	-107.85	350.79	5.89	-101.96
O=C([O-])[C@]12CN(C(=O)[N-]C3=NC(C4CCC4)=CS3)C[C@H]1C1=CC=CC=C1OC2	REAL300013410010	1	47	-2.0	-106.80	388.11	7.94	-98.86
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013410011	1	44	-2.0	-99.38	356.38	8.10	-91.28
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC2=CC=CC=C21	REAL300013410012	1	42	-2.0	-121.06	348.96	9.22	-111.84
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CCO1	REAL300013410013	1	49	-2.0	-94.52	403.69	6.28	-88.24
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300013410014	1	39	-2.0	-89.93	328.18	5.33	-84.60
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013410015	1	41	-2.0	-105.17	331.49	7.23	-97.94
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C[C@H]1C1=CC=CC=C1	REAL300013410016	1	45	-2.0	-113.23	376.64	9.00	-104.23
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013410017	1	39	-2.0	-99.58	325.62	4.21	-95.37
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O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)=C1	REAL300013410020	0	35	-2.0	-99.94	313.84	6.57	-93.37
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300013410021	1	45	-2.0	-101.16	359.66	6.82	-94.34
O=C([O-])C12CC(NC(=O)[N-]C3=NC(C4CCC4)=CS3)(C1)C2	REAL300013410022	1	36	-2.0	-97.12	314.57	4.65	-92.47
O=C([O-])CC1(CNC(=O)[N-]C2=NC(C3CCC3)=CS2)CCCCC1	REAL300013410023	1	47	-2.0	-109.74	360.76	6.63	-103.11
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300013410024	1	41	-2.0	-100.82	333.96	6.03	-94.79
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300013410025	1	44	-2.0	-93.91	359.51	6.36	-87.55
O=C([O-])CC1CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300013410026	1	41	-2.0	-96.07	333.78	7.34	-88.73
O=C([O-])COC1CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300013410027	1	42	-2.0	-96.41	350.38	6.77	-89.64
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013410028	1	41	-2.0	-96.14	339.76	5.64	-90.50
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013410029	1	41	-2.0	-96.46	334.81	6.05	-90.41
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCC3)=CS2)CCCOC1	REAL300013410030	1	42	-2.0	-108.27	341.69	4.23	-104.04
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCC3)=CS2)CCOC1	REAL300013410031	1	39	-2.0	-105.09	326.51	3.19	-101.90
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300013410032	1	39	-2.0	-122.81	324.51	6.86	-115.95
CC(C)(CC1=CC=C(CNC(=O)[N-]C2=NC(C3CCC3)=CS2)C=C1)C(=O)[O-]	REAL300013410033	1	50	-2.0	-90.76	411.74	8.35	-82.41
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC(C3CCC3)=CS1)C2	REAL300013410034	1	36	-2.0	-100.06	315.98	5.14	-94.92
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC12CCC2	REAL300013410035	1	42	-2.0	-101.18	344.71	7.30	-93.88
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013410036	1	38	-2.0	-97.34	335.69	6.32	-91.02
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCC3)=CS2)CCO1	REAL300013410037	1	39	-2.0	-99.58	323.93	5.90	-93.68
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300013410038	1	42	-2.0	-99.18	348.80	5.65	-93.53
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NC(C4CCC4)=CS3)=CC=C21	REAL300013410039	0	42	-2.0	-98.72	366.72	8.07	-90.65
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC(C3CCC3)=CS1)C2	REAL300013410040	1	36	-2.0	-96.98	315.55	5.16	-91.82
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3CCC3)=CS2)CCCCC1	REAL300013410041	1	44	-2.0	-115.36	343.53	7.04	-108.32
CN(CCC(=O)[O-])C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013410042	1	51	-2.0	-103.86	390.59	9.86	-94.00
O=C([O-])CCCCNC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013410043	1	54	-2.0	-96.95	413.84	8.77	-88.18
O=C([O-])CCNC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013410044	1	48	-2.0	-101.23	370.85	7.20	-94.03
CC(O)(CNC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013410045	1	52	-2.0	-99.23	399.35	5.54	-93.69
CC(C)(CNC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013410046	1	54	-2.0	-102.08	405.70	8.66	-93.42
CC(CN(C)C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013410047	1	54	-2.0	-100.78	404.67	10.17	-90.61
O=C([O-])CCCNC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013410048	1	51	-2.0	-96.57	392.35	7.99	-88.58
CC(CNC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013410049	1	51	-2.0	-101.74	389.39	7.95	-93.79
O=C([O-])C1(CNC(=O)[N-]C2=NC(CC34CC5CC(CC(C5)C3)C4)=CS2)CC1	REAL300013410050	1	52	-2.0	-111.32	397.99	8.93	-102.39
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(CC34CC5CC(CC(C5)C3)C4)=CS2)C1	REAL300013410051	1	52	-2.0	-98.33	397.80	8.55	-89.78
O=C([O-])C1CC(NC(=O)[N-]C2=NC(CC34CC5CC(CC(C5)C3)C4)=CS2)C1	REAL300013410052	1	52	-2.0	-97.38	397.29	8.60	-88.78
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(CC34CC5CC(CC(C5)C3)C4)=CS2)C1	REAL300013410053	1	52	-2.0	-97.06	397.67	8.59	-88.47
CCC(CNC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1)C(=O)[O-]	REAL300013410054	1	54	-2.0	-109.48	411.35	8.66	-100.82
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013410055	1	54	-2.0	-105.29	412.09	10.66	-94.63
O=C([O-])C1(CNC(=O)[N-]C2=NC(CC34CC5CC(CC(C5)C3)C4)=CS2)CC1	REAL300013410056	1	52	-2.0	-111.32	397.99	8.93	-102.39
O=C([O-])C1CCN(C(=O)[N-]C2=NC(CC34CC5CC(CC(C5)C3)C4)=CS2)C1	REAL300013410057	1	52	-2.0	-100.87	394.27	9.66	-91.21
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(CC23CC4CC(CC(C4)C2)C3)=CS1	REAL300013410058	1	54	-2.0	-99.41	412.10	8.99	-90.42
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410059	1	45	-2.0	-99.83	347.21	7.99	-91.84
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)=C1	REAL300013410060	0	45	-2.0	-96.03	370.29	8.06	-87.97
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C=C1	REAL300013410061	1	45	-2.0	-94.61	367.53	7.22	-87.39
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013410062	1	47	-2.0	-94.55	356.31	6.04	-88.51
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCO1	REAL300013410063	1	43	-2.0	-101.68	338.76	6.34	-95.34
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410064	1	48	-2.0	-97.58	370.17	6.88	-90.70
O=C([O-])CCCCNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013410065	1	44	-2.0	-96.55	351.27	5.89	-90.66
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)=CC=C1	REAL300013410066	1	45	-2.0	-102.10	367.54	7.21	-94.89
O=C([O-])CCNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013410067	1	38	-2.0	-100.26	308.27	4.31	-95.95
O=C([O-])CCCCCNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013410068	1	47	-2.0	-94.52	372.77	6.67	-87.85
CC(O)(CNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013410069	1	42	-2.0	-98.33	336.78	2.66	-95.67
CC(C)(CNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013410070	1	44	-2.0	-101.15	343.13	5.77	-95.38
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)=C1	REAL300013410071	0	48	-2.0	-92.93	391.69	8.87	-84.06
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410072	1	45	-2.0	-98.86	351.18	7.39	-91.47
CC(CN(C)C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013410073	1	44	-2.0	-100.19	342.10	7.28	-92.91
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410074	1	48	-2.0	-106.41	362.16	8.74	-97.67
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410075	1	48	-2.0	-100.35	359.12	8.17	-92.18
O=C([O-])CCCNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013410076	1	41	-2.0	-95.88	329.77	5.11	-90.77
CC1CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1C(=O)[O-]	REAL300013410077	1	48	-2.0	-104.26	357.88	8.17	-96.09
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCOCC1	REAL300013410078	1	49	-2.0	-108.31	369.86	5.28	-103.03
CC(C)(CCNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013410079	1	47	-2.0	-95.99	362.47	5.96	-90.03
CCC(CC)(CNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013410080	1	50	-2.0	-110.55	375.36	6.79	-103.76
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCC1	REAL300013410081	1	45	-2.0	-113.58	349.74	6.55	-107.03
CC(CNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013410082	1	41	-2.0	-100.75	326.82	5.07	-95.68
CC(C)C(CNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013410083	1	47	-2.0	-108.28	360.31	6.36	-101.92
CC(NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013410084	1	54	-2.0	-103.88	404.58	8.26	-95.62
CC(CNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013410085	1	51	-2.0	-113.02	398.65	8.43	-104.59
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410086	1	45	-2.0	-95.74	351.18	6.40	-89.34
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410087	1	51	-2.0	-96.91	386.52	9.38	-87.53
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC(C3CC4CCC3C4)=CS1)C2	REAL300013410088	1	47	-2.0	-98.85	362.89	5.99	-92.86
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCCC1	REAL300013410089	1	48	-2.0	-110.96	368.23	7.17	-103.79
CC1CN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCC1C(=O)[O-]	REAL300013410090	1	48	-2.0	-97.80	359.09	8.63	-89.17
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCC1	REAL300013410091	1	45	-2.0	-109.18	351.16	6.32	-102.86
O=C([O-])CC(CNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1CC1	REAL300013410092	1	48	-2.0	-107.55	375.28	7.11	-100.44
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410093	1	48	-2.0	-100.35	359.12	8.17	-92.18
CC(C)C[C@H](CNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)CC(=O)[O-]	REAL300013410094	1	53	-2.0	-110.03	396.27	7.55	-102.48
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410095	1	42	-2.0	-109.14	335.42	6.06	-103.08
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013410096	1	45	-2.0	-120.13	361.14	7.33	-112.80
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410097	1	49	-2.0	-108.23	381.78	6.41	-101.82
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410098	1	42	-2.0	-96.98	341.73	5.91	-91.07
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410100	1	45	-2.0	-103.06	346.68	7.93	-95.13
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410101	1	45	-2.0	-102.73	353.46	8.18	-94.55
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410102	1	42	-2.0	-97.44	335.23	5.66	-91.78
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410103	1	42	-2.0	-96.17	341.50	5.96	-90.21
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)=CC=C1	REAL300013410104	1	45	-2.0	-102.10	367.54	7.21	-94.89
CCC(CNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013410105	1	44	-2.0	-108.26	348.77	5.77	-102.49
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013410106	1	51	-2.0	-116.08	380.48	9.32	-106.76
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013410107	1	53	-2.0	-93.60	415.77	8.23	-85.37
O=C([O-])CCCCCCNC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013410108	1	50	-2.0	-94.83	394.27	7.45	-87.38
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410109	1	48	-2.0	-102.61	361.74	8.65	-93.96
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410110	1	52	-2.0	-105.49	392.86	8.46	-97.03
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410111	1	51	-2.0	-100.91	386.79	9.34	-91.57
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC2=CC=CC=C21	REAL300013410112	1	49	-2.0	-123.72	379.35	10.47	-113.25
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410113	1	46	-2.0	-91.45	358.59	6.59	-84.86
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013410114	1	48	-2.0	-107.43	363.10	8.54	-98.89
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410115	1	46	-2.0	-101.41	356.11	5.48	-95.93
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C2=CC=CC=C21	REAL300013410116	1	49	-2.0	-99.43	390.22	8.44	-90.99
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)=C1	REAL300013410117	0	42	-2.0	-101.73	344.24	7.84	-93.89
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410118	1	52	-2.0	-102.86	390.09	8.09	-94.77
O=C([O-])C12CC(NC(=O)[N-]C3=NC(C4CC5CCC4C5)=CS3)(C1)C2	REAL300013410119	1	43	-2.0	-98.22	351.37	6.14	-92.08
O=C([O-])CC1(CNC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCCCC1	REAL300013410120	1	54	-2.0	-113.22	391.02	7.90	-105.32
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410121	1	48	-2.0	-102.23	370.59	7.51	-94.72
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410122	1	51	-2.0	-94.70	388.61	7.60	-87.10
O=C([O-])CC1CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410123	1	48	-2.0	-97.62	364.20	8.60	-89.02
O=C([O-])COC1CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410124	1	49	-2.0	-97.81	380.81	8.02	-89.79
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410125	1	48	-2.0	-97.26	376.34	7.12	-90.14
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410126	1	48	-2.0	-97.98	365.21	7.31	-90.67
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCCOC1	REAL300013410127	1	49	-2.0	-110.20	372.10	5.47	-104.73
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCOC1	REAL300013410128	1	46	-2.0	-107.21	356.92	4.45	-102.76
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013410129	1	46	-2.0	-98.68	350.99	8.03	-90.65
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC(C3CC4CCC3C4)=CS1)C2	REAL300013410130	1	43	-2.0	-101.33	352.67	6.63	-94.70
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410131	1	42	-2.0	-109.14	335.42	6.06	-103.08
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC12CCC2	REAL300013410132	1	49	-2.0	-102.30	374.01	8.51	-93.79
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCO1	REAL300013410133	1	46	-2.0	-100.74	360.76	7.39	-93.35
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410134	1	49	-2.0	-100.91	379.21	6.89	-94.02
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300013410135	1	42	-2.0	-99.93	331.64	6.80	-93.13
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC(C3CC4CCC3C4)=CS1)C2	REAL300013410136	1	43	-2.0	-97.82	352.19	6.64	-91.18
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CCCCC1	REAL300013410137	1	51	-2.0	-117.32	373.94	8.30	-109.02
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300013410138	1	44	-2.0	-98.98	349.53	6.10	-92.88
COC1=CN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013410358	0	32	-2.0	-96.07	301.64	4.03	-92.04
COC1=CN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013410359	1	32	-2.0	-93.76	305.31	3.43	-90.33
COC1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013410360	1	32	-2.0	-101.35	305.31	3.42	-97.93
COC1=CN=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013410361	1	42	-2.0	-102.31	356.35	7.43	-94.88
COC1=CN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013410362	0	35	-2.0	-92.97	323.04	4.83	-88.14
COC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013410363	1	36	-2.0	-104.90	308.62	1.29	-103.61
CCC(CC)(CNC(=O)[N-]C1=NC=C(OC)S1)C(=O)[O-]	REAL300013410364	1	37	-2.0	-108.13	310.48	3.33	-104.80
COC1=CN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013410365	1	43	-2.0	-95.81	363.81	4.93	-90.88
COC1=CN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013410366	1	41	-2.0	-104.13	339.92	3.86	-100.27
COC1=CN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013410367	1	38	-2.0	-109.96	331.04	4.87	-105.09
COC1=CN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013410368	1	38	-2.0	-96.21	324.28	5.56	-90.65
COC1=CN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013410369	1	34	-2.0	-99.66	300.67	2.19	-97.47
COC1=CN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013410370	1	40	-2.0	-110.19	334.04	3.74	-106.45
COC1=CN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013410371	1	32	-2.0	-119.59	298.91	3.54	-116.05
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(OC)S2)C1	REAL300013410372	1	36	-2.0	-112.55	321.11	2.61	-109.94
COC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)S1	REAL300013410374	1	42	-2.0	-121.45	362.16	5.54	-115.91
COC1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013410375	1	32	-2.0	-101.35	305.31	3.42	-97.93
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC=C(OC)S1)CC2C(=O)[O-]	REAL300013410376	1	42	-2.0	-102.47	367.81	5.41	-97.06
COC1=CN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013410377	1	38	-2.0	-118.25	317.64	5.49	-112.76
COC1=CN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013410378	1	40	-2.0	-93.58	353.54	4.44	-89.14
COC1=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013410379	1	37	-2.0	-95.32	332.04	3.65	-91.67
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(OC)S2)C1	REAL300013410380	1	39	-2.0	-108.57	331.56	3.99	-104.58
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(OC)S1	REAL300013410381	1	35	-2.0	-104.83	318.94	3.34	-101.49
COC1=CN=C([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)S1	REAL300013410382	1	41	-2.0	-109.23	356.30	5.39	-103.84
COC1=CN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013410383	1	38	-2.0	-102.24	324.58	5.54	-96.70
COC1=CN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013410384	1	36	-2.0	-124.21	317.14	6.70	-117.51
COC1=CN=C([N-]C(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)S1	REAL300013410385	1	43	-2.0	-96.83	371.87	3.71	-93.12
COC1=CN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013410386	1	33	-2.0	-90.46	296.37	2.78	-87.68
COC1=CN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013410387	1	39	-2.0	-117.96	346.38	6.52	-111.44
COC1=CN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013410388	1	33	-2.0	-102.47	293.80	1.64	-100.83
COC1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013410389	1	36	-2.0	-98.87	327.99	4.64	-94.23
COC1=CN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013410390	1	39	-2.0	-130.56	333.60	3.63	-126.93
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(OC)S2)CC1	REAL300013410391	1	39	-2.0	-101.99	327.88	4.28	-97.71
COC1=CN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013410392	1	41	-2.0	-111.66	328.94	4.09	-107.57
COC1=CN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013410393	1	38	-2.0	-94.67	327.70	3.82	-90.85
COC1=CN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013410394	1	36	-2.0	-97.29	318.57	4.20	-93.09
COC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013410395	1	36	-2.0	-108.76	309.88	1.68	-107.08
COC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013410396	1	33	-2.0	-105.18	294.69	0.64	-104.54
COC1=CN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013410397	1	44	-2.0	-91.63	379.94	5.81	-85.82
COC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013410398	1	36	-2.0	-99.87	311.77	4.70	-95.17
COC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013410399	1	32	-2.0	-99.17	303.88	3.77	-95.40
COC1=CN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013410400	1	33	-2.0	-102.75	292.10	3.33	-99.42
COC1=CN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013410401	1	36	-2.0	-102.44	316.99	3.08	-99.36
COC1=CN=C([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)S1	REAL300013410402	1	41	-2.0	-95.43	362.88	2.68	-92.75
COC1=CN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013410403	0	36	-2.0	-101.22	334.91	5.52	-95.70
COC1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013410404	1	38	-2.0	-115.64	311.71	4.49	-111.15
CN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(SCC2=CC=C(C#N)C=C2)S1	REAL300013415646	0	38	-2.0	-107.81	375.83	7.87	-99.94
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)NCCCCC(=O)[O-])S2)C=C1	REAL300013415647	0	41	-2.0	-100.48	399.08	6.79	-93.69
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)NCCC(=O)[O-])S2)C=C1	REAL300013415648	0	35	-2.0	-104.45	356.09	5.21	-99.24
CC(O)(CNC(=O)[N-]C1=NN=C(SCC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013415649	0	39	-2.0	-102.18	384.59	3.56	-98.62
CC(C)(CNC(=O)[N-]C1=NN=C(SCC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013415650	0	41	-2.0	-105.92	391.52	6.67	-99.25
CC(CN(C)C(=O)[N-]C1=NN=C(SCC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013415651	0	41	-2.0	-104.34	389.91	8.18	-96.16
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)NCCCC(=O)[O-])S2)C=C1	REAL300013415652	0	38	-2.0	-98.65	377.58	6.01	-92.64
CC(CNC(=O)[N-]C1=NN=C(SCC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013415653	0	38	-2.0	-104.68	373.75	5.94	-98.74
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1	REAL300013415654	0	39	-2.0	-109.81	383.23	6.94	-102.87
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013415655	0	39	-2.0	-99.92	383.01	6.56	-93.36
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)NC3CC(C(=O)[O-])C3)S2)C=C1	REAL300013415656	0	39	-2.0	-100.07	383.05	6.56	-93.51
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)C=C1	REAL300013415657	0	39	-2.0	-99.56	382.95	6.61	-92.95
CCC(CNC(=O)[N-]C1=NN=C(SCC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013415658	0	41	-2.0	-109.88	396.58	6.67	-103.21
CN(CCCC(=O)[O-])C(=O)[N-]C1=NN=C(SCC2=CC=C(C#N)C=C2)S1	REAL300013415659	0	41	-2.0	-108.88	397.33	8.67	-100.21
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1	REAL300013415660	0	39	-2.0	-109.81	383.23	6.94	-102.87
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)N3CCC(C(=O)[O-])C3)S2)C=C1	REAL300013415661	0	39	-2.0	-104.06	379.49	7.69	-96.37
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(SCC2=CC=C(C#N)C=C2)S1	REAL300013415662	0	41	-2.0	-101.18	397.34	7.00	-94.18
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=CC=CO3)S2)CC1	REAL300013415663	0	34	-2.0	-103.74	310.54	5.37	-98.37
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NN=C(C3=CC=CO3)S2)=C1	REAL300013415664	0	34	-2.0	-100.16	327.21	5.23	-94.93
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NN=C(C3=CC=CO3)S2)C=C1	REAL300013415665	0	34	-2.0	-98.00	330.87	4.62	-93.38
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=CC=CO2)S1	REAL300013415666	0	36	-2.0	-97.77	319.65	3.44	-94.33
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3=CC=CO3)S2)CCO1	REAL300013415667	0	32	-2.0	-107.40	302.15	3.73	-103.67
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(C3=CC=CO3)S2)CC1	REAL300013415668	0	37	-2.0	-102.90	333.51	4.28	-98.62
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(C2=CC=CO2)S1	REAL300013415669	0	33	-2.0	-101.40	314.61	3.28	-98.12
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C3=CC=CO3)S2)=CC=C1	REAL300013415670	0	34	-2.0	-105.65	330.88	4.61	-101.04
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(C2=CC=CO2)S1	REAL300013415671	0	36	-2.0	-98.56	336.11	4.06	-94.50
CC(O)(CNC(=O)[N-]C1=NN=C(C2=CC=CO2)S1)C(=O)[O-]	REAL300013415672	0	31	-2.0	-103.23	299.71	0.01	-103.22
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NN=C(C3=CC=CO3)S2)CC1	REAL300013415673	0	44	-2.0	-106.27	381.91	8.63	-97.64
CC(C)(CNC(=O)[N-]C1=NN=C(C2=CC=CO2)S1)C(=O)[O-]	REAL300013415674	0	33	-2.0	-106.61	306.47	3.17	-103.44
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NN=C(C3=CC=CO3)S2)=C1	REAL300013415675	0	37	-2.0	-97.12	348.61	6.03	-91.09
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC=CO3)S2)C1	REAL300013415676	0	34	-2.0	-105.04	315.09	4.69	-100.35
CC(CN(C)C(=O)[N-]C1=NN=C(C2=CC=CO2)S1)C(=O)[O-]	REAL300013415677	0	33	-2.0	-111.95	306.49	4.94	-107.01
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CC=CO3)S2)C1	REAL300013415678	0	37	-2.0	-106.56	325.51	6.11	-100.45
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC=CO3)S2)CC1	REAL300013415679	0	37	-2.0	-103.93	322.46	5.54	-98.39
CC1CCN(C(=O)[N-]C2=NN=C(C3=CC=CO3)S2)CC1C(=O)[O-]	REAL300013415680	0	37	-2.0	-110.70	328.83	5.84	-104.86
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC=CO3)S2)CCOCC1	REAL300013415681	0	38	-2.0	-110.82	333.20	2.66	-108.16
CC(C)(CCNC(=O)[N-]C1=NN=C(C2=CC=CO2)S1)C(=O)[O-]	REAL300013415682	0	36	-2.0	-99.56	326.39	3.39	-96.17
CCC(CC)(CNC(=O)[N-]C1=NN=C(C2=CC=CO2)S1)C(=O)[O-]	REAL300013415683	0	39	-2.0	-113.12	338.70	4.18	-108.94
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3=CC=CO3)S2)CCC1	REAL300013415684	0	34	-2.0	-116.44	313.06	3.94	-112.50
CC(C)C(CNC(=O)[N-]C1=NN=C(C2=CC=CO2)S1)C(=O)[O-]	REAL300013415685	0	36	-2.0	-111.07	322.64	3.79	-107.28
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O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415786	0	34	-2.0	-96.59	313.42	5.32	-91.27
O=C([O-])CN1CCC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CC1	REAL300013415787	0	42	-2.0	-93.45	361.85	4.39	-89.06
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415788	0	37	-2.0	-102.46	325.26	7.56	-94.90
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415789	0	37	-2.0	-102.68	325.71	7.59	-95.09
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415790	0	34	-2.0	-96.58	313.81	5.32	-91.26
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415791	0	34	-2.0	-95.78	313.63	5.36	-90.42
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)=CC=C1	REAL300013415792	0	37	-2.0	-101.49	346.11	6.86	-94.63
CCC(CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013415793	0	36	-2.0	-106.06	327.35	5.42	-100.64
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1	REAL300013415794	0	43	-2.0	-117.18	358.44	8.92	-108.26
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1	REAL300013415795	0	45	-2.0	-93.73	394.34	7.88	-85.85
O=C([O-])CCCCCCNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1	REAL300013415796	0	42	-2.0	-95.09	372.84	7.10	-87.99
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1	REAL300013415797	0	36	-2.0	-104.93	328.09	7.43	-97.50
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415798	0	40	-2.0	-102.11	340.35	8.29	-93.82
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415799	0	44	-2.0	-106.39	372.35	7.46	-98.93
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1	REAL300013415800	0	40	-2.0	-107.68	359.78	6.79	-100.89
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415801	0	43	-2.0	-101.24	365.37	8.99	-92.25
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CC2=CC=CC=C21	REAL300013415802	0	41	-2.0	-122.40	357.93	10.13	-112.27
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CC1	REAL300013415803	0	38	-2.0	-90.80	337.17	6.24	-84.56
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1	REAL300013415804	0	40	-2.0	-104.93	340.46	8.12	-96.81
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C[C@H]1C1=CC=CC=C1	REAL300013415805	0	44	-2.0	-104.19	387.52	9.98	-94.21
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415806	0	38	-2.0	-100.79	334.68	5.11	-95.68
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C2=CC=CC=C21	REAL300013415807	0	41	-2.0	-98.52	368.79	8.09	-90.43
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1=O	REAL300013415808	0	44	-2.0	-129.89	374.40	7.08	-122.81
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)=C1	REAL300013415809	0	34	-2.0	-101.13	322.81	7.48	-93.65
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CC1	REAL300013415810	0	44	-2.0	-102.20	368.66	7.72	-94.48
O=C([O-])C12CC(NC(=O)[N-]C3=NC(C4=CC=CC=C4)=NS3)(C1)C2	REAL300013415811	0	35	-2.0	-98.77	323.56	5.54	-93.23
O=C([O-])CC1(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CCCCC1	REAL300013415812	0	46	-2.0	-112.65	369.76	7.51	-105.14
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CC1	REAL300013415813	0	40	-2.0	-101.46	343.00	6.93	-94.53
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CC1	REAL300013415814	0	43	-2.0	-94.59	367.18	7.24	-87.35
O=C([O-])CC1CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CC1	REAL300013415815	0	40	-2.0	-96.66	342.77	8.24	-88.42
O=C([O-])COC1CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CC1	REAL300013415816	0	41	-2.0	-97.85	359.37	7.66	-90.19
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415817	0	40	-2.0	-96.52	348.22	6.53	-89.99
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415818	0	40	-2.0	-97.24	344.31	6.96	-90.28
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CCCOC1	REAL300013415819	0	41	-2.0	-107.69	350.68	5.11	-102.58
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CCOC1	REAL300013415820	0	38	-2.0	-104.80	335.49	4.09	-100.71
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1	REAL300013415821	0	38	-2.0	-123.94	333.43	7.78	-116.16
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC(C3=CC=CC=C3)=NS1)C2	REAL300013415822	0	35	-2.0	-100.36	325.22	6.04	-94.32
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CC1	REAL300013415823	0	34	-2.0	-106.50	313.99	5.69	-100.81
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CC12CCC2	REAL300013415824	0	41	-2.0	-100.12	352.53	8.16	-91.96
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415825	0	37	-2.0	-103.91	345.37	7.22	-96.69
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CCO1	REAL300013415826	0	38	-2.0	-100.69	332.91	6.79	-93.90
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415827	0	41	-2.0	-100.09	357.89	6.57	-93.52
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NC(C4=CC=CC=C4)=NS3)=CC=C21	REAL300013415828	0	41	-2.0	-100.35	375.70	8.98	-91.37
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300013415829	0	34	-2.0	-98.81	310.23	6.44	-92.37
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC(C3=CC=CC=C3)=NS1)C2	REAL300013415830	0	35	-2.0	-98.01	324.23	6.07	-91.94
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NS2)CCCCC1	REAL300013415831	0	43	-2.0	-115.94	352.51	7.94	-108.00
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1	REAL300013415832	0	36	-2.0	-97.92	328.10	5.76	-92.16
CSC1=NSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013416121	0	31	-2.0	-94.77	289.62	4.83	-89.94
CSC1=NSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013416122	0	31	-2.0	-94.69	306.27	4.69	-90.00
CSC1=NSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013416123	0	31	-2.0	-90.48	309.95	4.08	-86.40
CSC1=NSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013416124	0	33	-2.0	-89.71	298.73	2.90	-86.81
CSC1=NSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013416125	0	29	-2.0	-96.08	281.10	3.18	-92.90
CSC1=NSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013416126	0	34	-2.0	-93.18	312.59	3.76	-89.42
CSC1=NSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013416127	0	31	-2.0	-97.20	309.96	4.07	-93.13
CSC1=NSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013416128	0	33	-2.0	-90.22	315.19	3.52	-86.70
CSC1=NSC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013416129	0	41	-2.0	-96.74	361.00	8.10	-88.64
CSC1=NSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013416130	0	34	-2.0	-88.78	327.39	5.53	-83.25
CSC1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013416131	0	31	-2.0	-94.04	294.17	4.14	-89.90
CSC1=NSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013416132	0	34	-2.0	-99.66	304.58	5.58	-94.08
CSC1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013416133	0	34	-2.0	-94.96	301.54	5.02	-89.94
CSC1=NSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013416134	0	34	-2.0	-98.56	300.30	5.02	-93.54
CSC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013416135	0	35	-2.0	-101.03	312.28	2.12	-98.91
CSC1=NSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013416136	0	33	-2.0	-90.80	305.48	2.85	-87.95
CCC(CC)(CNC(=O)[N-]C1=NC(SC)=NS1)C(=O)[O-]	REAL300013416137	0	36	-2.0	-103.13	317.78	3.64	-99.49
CSC1=NSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013416138	0	31	-2.0	-106.12	292.14	3.40	-102.72
CSC1=NSC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013416139	0	42	-2.0	-91.88	368.46	5.60	-86.28
CSC1=NSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013416140	0	33	-2.0	-102.24	307.98	3.11	-99.13
CSC1=NSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013416141	0	40	-2.0	-98.81	344.57	4.52	-94.29
CSC1=NSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013416142	0	37	-2.0	-103.76	335.69	5.52	-98.24
CSC1=NSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013416143	0	31	-2.0	-90.57	293.61	3.25	-87.32
CSC1=NSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013416144	0	37	-2.0	-92.69	328.92	6.21	-86.48
CSC1=NSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013416145	0	33	-2.0	-93.03	305.32	2.85	-90.18
CSC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013416146	0	34	-2.0	-103.32	310.65	4.01	-99.31
CSC1=NSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013416147	0	34	-2.0	-95.46	307.95	5.33	-90.13
CSC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013416148	0	31	-2.0	-101.60	293.58	3.17	-98.43
CSC1=NSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013416149	0	34	-2.0	-101.09	317.70	3.95	-97.14
CSC1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013416150	0	34	-2.0	-94.96	301.54	5.02	-89.94
CSC1=NSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013416151	0	39	-2.0	-103.14	338.69	4.39	-98.75
CSC1=NSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013416152	0	31	-2.0	-112.59	303.56	4.19	-108.40
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(SC)=NS2)C1	REAL300013416153	0	35	-2.0	-105.59	325.76	3.26	-102.33
CSC1=NSC([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)=N1	REAL300013416154	0	36	-2.0	-89.23	325.69	1.60	-87.63
CSC1=NSC([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013416155	0	41	-2.0	-117.54	366.80	6.21	-111.33
CSC1=NSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013416156	0	31	-2.0	-97.39	289.11	4.77	-92.62
CSC1=NSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013416157	0	31	-2.0	-97.64	289.56	4.79	-92.85
CSC1=NSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013416158	0	31	-2.0	-97.20	309.96	4.07	-93.13
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC(SC)=NS1)CC2C(=O)[O-]	REAL300013416159	0	41	-2.0	-100.28	372.28	6.08	-94.20
CSC1=NSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013416160	0	37	-2.0	-111.27	322.28	6.13	-105.14
CSC1=NSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013416161	0	39	-2.0	-89.68	358.19	5.09	-84.59
CSC1=NSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013416162	0	36	-2.0	-90.85	336.69	4.30	-86.55
CSC1=NSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013416163	0	34	-2.0	-97.13	304.20	5.51	-91.62
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(SC)=NS2)C1	REAL300013416164	0	38	-2.0	-100.10	335.28	5.31	-94.79
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(SC)=NS1	REAL300013416165	0	34	-2.0	-102.92	323.63	4.00	-98.92
CSC1=NSC([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013416166	0	40	-2.0	-102.00	361.82	6.04	-95.96
CSC1=NSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013416167	0	37	-2.0	-96.43	329.22	6.20	-90.23
CSC1=NSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013416168	0	35	-2.0	-116.42	321.77	7.34	-109.08
CSC1=NSC([N-]C(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)=N1	REAL300013416169	0	42	-2.0	-91.63	376.52	4.39	-87.24
CSC1=NSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013416170	0	32	-2.0	-86.65	301.01	3.44	-83.21
CSC1=NSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013416171	0	34	-2.0	-100.54	305.52	5.39	-95.15
CSC1=NSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013416172	0	38	-2.0	-99.57	351.37	7.19	-92.38
CSC1=NSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013416173	0	32	-2.0	-95.82	298.52	2.32	-93.50
CSC1=NSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013416174	0	35	-2.0	-92.77	328.15	5.07	-87.70
CSC1=NSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013416175	0	38	-2.0	-123.69	338.26	4.28	-119.41
CSC1=NSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013416176	0	28	-2.0	-96.23	286.66	4.70	-91.53
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(SC)=NS2)CC1	REAL300013416177	0	38	-2.0	-97.77	333.73	4.19	-93.58
CSC1=NSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013416178	0	29	-2.0	-93.87	287.40	2.75	-91.12
CSC1=NSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013416179	0	40	-2.0	-105.93	333.44	4.75	-101.18
CSC1=NSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013416180	0	34	-2.0	-97.86	308.15	4.17	-93.69
CSC1=NSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013416181	0	37	-2.0	-90.45	331.03	4.45	-86.00
CSC1=NSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013416182	0	34	-2.0	-92.34	306.61	5.44	-86.90
CSC1=NSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013416183	0	35	-2.0	-93.63	323.21	4.86	-88.77
CSC1=NSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013416184	0	34	-2.0	-92.45	312.58	3.75	-88.70
CSC1=NSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013416185	0	34	-2.0	-92.10	312.07	3.74	-88.36
CSC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013416186	0	35	-2.0	-102.51	314.53	2.32	-100.19
CSC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013416187	0	32	-2.0	-97.69	298.62	1.44	-96.25
CSC1=NSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013416188	0	32	-2.0	-118.15	297.28	4.99	-113.16
CSC1=NSC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013416189	0	43	-2.0	-88.20	384.58	6.46	-81.74
CSC1=NSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013416190	0	29	-2.0	-95.88	289.07	3.25	-92.63
CSC1=NSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013416191	0	35	-2.0	-95.57	316.38	5.36	-90.21
CSC1=NSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013416192	0	31	-2.0	-93.61	307.98	4.42	-89.19
CSC1=NSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013416193	0	32	-2.0	-95.87	296.75	3.99	-91.88
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(SC)=NS2)C1	REAL300013416194	0	35	-2.0	-95.26	321.64	3.75	-91.51
CSC1=NSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013416195	0	35	-2.0	-95.80	339.55	6.18	-89.62
CSC1=NSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013416196	0	29	-2.0	-93.38	288.08	3.27	-90.11
CSC1=NSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013416197	0	37	-2.0	-110.17	316.35	5.15	-105.02
COCC1=CN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013421041	0	35	-2.0	-98.70	324.67	4.33	-94.37
COCC1=CN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013421042	1	35	-2.0	-96.23	328.33	3.72	-92.51
COCC1=CN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013421043	1	37	-2.0	-96.13	317.11	2.54	-93.59
COCC1=CN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013421044	1	33	-2.0	-105.69	299.61	2.85	-102.84
COCC1=CN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013421045	1	38	-2.0	-100.76	330.97	3.38	-97.38
COCC1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013421046	1	35	-2.0	-104.38	328.34	3.71	-100.67
COCC1=CN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013421047	1	37	-2.0	-96.84	333.57	3.17	-93.67
COCC1=CN=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013421048	1	45	-2.0	-105.13	379.37	7.73	-97.40
COCC1=CN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013421049	0	38	-2.0	-95.41	346.07	5.14	-90.27
COCC1=CN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013421050	1	38	-2.0	-105.68	323.64	5.25	-100.43
COCC1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013421051	1	38	-2.0	-102.00	319.92	4.67	-97.33
COCC1=CN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013421052	1	38	-2.0	-109.00	326.29	4.95	-104.05
COCC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013421053	1	39	-2.0	-108.44	331.64	1.59	-106.85
COCC1=CN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013421054	1	37	-2.0	-98.11	323.28	2.48	-95.63
CCC(CC)(CNC(=O)[N-]C1=NC=C(COC)S1)C(=O)[O-]	REAL300013421055	1	40	-2.0	-110.97	331.46	3.45	-107.52
COCC1=CN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013421056	1	46	-2.0	-98.07	386.84	5.24	-92.83
COCC1=CN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013421057	1	37	-2.0	-110.60	320.10	2.89	-107.71
COCC1=CN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013421058	1	44	-2.0	-106.99	365.53	4.76	-102.23
COCC1=CN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013421059	1	41	-2.0	-113.70	354.07	5.17	-108.53
COCC1=CN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013421060	1	41	-2.0	-98.98	347.30	5.86	-93.12
COCC1=CN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013421061	1	37	-2.0	-102.40	323.70	2.49	-99.91
COCC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013421062	1	38	-2.0	-111.95	327.26	3.39	-108.56
COCC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013421063	1	38	-2.0	-102.95	326.33	4.97	-97.98
COCC1=CN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013421064	1	38	-2.0	-97.19	328.71	4.18	-93.01
COCC1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013421065	1	38	-2.0	-102.00	319.92	4.67	-97.33
COCC1=CN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013421066	1	43	-2.0	-112.96	357.09	4.03	-108.93
COCC1=CN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013421067	1	35	-2.0	-123.40	321.97	3.80	-119.60
COCC1=CN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)S1	REAL300013421068	1	39	-2.0	-115.39	344.14	2.91	-112.48
COCC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)S1	REAL300013421070	1	45	-2.0	-125.77	385.18	5.84	-119.93
COCC1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013421071	1	35	-2.0	-104.38	328.34	3.71	-100.67
COCC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)S1	REAL300013421072	1	45	-2.0	-105.58	390.83	5.71	-99.87
COCC1=CN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013421073	1	41	-2.0	-120.62	340.67	5.79	-114.83
COCC1=CN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013421074	1	43	-2.0	-96.00	376.56	4.73	-91.27
COCC1=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013421075	1	40	-2.0	-97.68	355.07	3.95	-93.73
COCC1=CN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013421076	1	38	-2.0	-106.79	322.57	5.13	-101.66
COCC1=CN=C([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)S1	REAL300013421077	1	42	-2.0	-110.99	354.58	4.31	-106.68
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(COC)S1	REAL300013421078	1	38	-2.0	-108.55	341.97	3.64	-104.91
COCC1=CN=C([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)S1	REAL300013421079	1	44	-2.0	-109.68	380.12	5.86	-103.82
COCC1=CN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013421080	1	41	-2.0	-104.66	347.60	5.85	-98.81
COCC1=CN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013421081	1	39	-2.0	-127.02	340.16	7.02	-120.00
COCC1=CN=C([N-]C(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)S1	REAL300013421082	1	46	-2.0	-99.14	395.61	4.06	-95.08
COCC1=CN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013421083	1	36	-2.0	-93.17	319.40	3.08	-90.09
COCC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013421084	1	38	-2.0	-106.41	322.69	4.98	-101.43
COCC1=CN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013421085	1	42	-2.0	-122.10	369.40	6.82	-115.28
COCC1=CN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013421086	1	36	-2.0	-105.04	316.89	1.98	-103.06
COCC1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013421087	1	39	-2.0	-101.48	351.01	4.93	-96.55
COCC1=CN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013421088	1	42	-2.0	-132.62	356.63	3.91	-128.71
COCC1=CN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013421089	0	32	-2.0	-104.97	305.04	4.33	-100.64
COCC1=CN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)S1	REAL300013421090	1	42	-2.0	-105.07	350.91	4.59	-100.48
COCC1=CN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013421091	1	44	-2.0	-115.10	351.97	4.39	-110.71
COCC1=CN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013421092	1	38	-2.0	-103.17	325.21	3.76	-99.41
COCC1=CN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013421093	1	41	-2.0	-96.59	349.40	4.08	-92.51
COCC1=CN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013421094	1	38	-2.0	-98.89	324.99	5.08	-93.81
COCC1=CN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013421095	1	39	-2.0	-100.09	341.59	4.50	-95.59
COCC1=CN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013421096	1	38	-2.0	-99.98	330.96	3.38	-96.60
COCC1=CN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013421097	1	38	-2.0	-99.59	326.01	3.80	-95.79
COCC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013421098	1	39	-2.0	-112.44	332.91	1.97	-110.47
COCC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013421099	1	36	-2.0	-108.27	317.71	0.94	-107.33
COCC1=CN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013421100	1	36	-2.0	-128.39	315.66	4.63	-123.76
COCC1=CN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013421101	1	47	-2.0	-94.08	403.55	6.10	-87.98
COCC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013421102	1	39	-2.0	-103.82	335.93	5.06	-98.76
COCC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013421103	1	35	-2.0	-108.60	327.59	4.08	-104.52
COCC1=CN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013421104	1	36	-2.0	-105.28	315.11	3.63	-101.65
COCC1=CN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013421105	1	39	-2.0	-104.98	340.02	3.39	-101.59
COCC1=CN=C([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)S1	REAL300013421106	1	44	-2.0	-98.12	385.80	2.97	-95.15
COCC1=CN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013421107	0	39	-2.0	-103.64	357.93	5.83	-97.81
COCC1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013421108	1	41	-2.0	-119.64	334.73	4.79	-114.85
O=C([O-])CCNC(=O)[N-]C1=NN=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300013421713	0	34	-2.0	-105.81	334.48	3.30	-102.51
O=C([O-])CCCNC(=O)[N-]C1=NN=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300013421714	0	37	-2.0	-99.34	355.98	4.10	-95.24
CC(CNC(=O)[N-]C1=NN=C(C2=CC=CC(OC(F)(F)F)=C2)S1)C(=O)[O-]	REAL300013421715	0	37	-2.0	-106.47	353.02	4.06	-102.41
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NSN=C2)CC1	REAL300013422057	1	37	-2.0	-98.66	321.20	6.73	-91.93
O=C([O-])C1CC(=O)N(C2CCN(C(=O)[N-]C3=NSN=C3)CC2)C1	REAL300013422058	1	38	-2.0	-91.78	325.25	4.11	-87.67
CC(CNC(=O)[N-]C1=NSN=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013422059	1	33	-2.0	-106.17	297.86	3.79	-102.38
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NSN=C3)C2)C=N1	REAL300013422060	1	37	-2.0	-115.78	323.60	4.70	-111.08
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NSN=C1)CC2C(=O)[O-]	REAL300013422061	1	37	-2.0	-97.42	329.26	4.58	-92.84
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NSN=C2)C1	REAL300013422062	1	34	-2.0	-104.03	292.67	3.18	-100.85
O=C([O-])[C@]12CN(C(=O)[N-]C3=NSN=C3)C[C@H]1C1=CC=CC=C1OC2	REAL300013422063	1	36	-2.0	-104.73	317.74	4.55	-100.18
O=C([O-])C1CN(C(=O)[N-]C2=NSN=C2)CC2=CC=CC=C21	REAL300013422064	1	31	-2.0	-106.98	281.46	5.29	-101.69
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NSN=C2)CCO1	REAL300013422065	1	38	-2.0	-92.90	333.31	2.89	-90.01
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NSN=C2)C[C@H]1C1=CC=CC=C1	REAL300013422066	1	34	-2.0	-99.18	308.15	5.69	-93.49
O=C([O-])C1CC(NC(=O)[N-]C2=NSN=C2)C2=CC=CC=C21	REAL300013422067	1	31	-2.0	-92.91	284.95	3.57	-89.34
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NSN=C2)C1=O	REAL300013422068	1	34	-2.0	-125.44	295.06	2.78	-122.66
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NSN=C2)CC1	REAL300013422069	1	34	-2.0	-97.50	289.29	3.43	-94.07
CC(C)(CC1=CC=C(CNC(=O)[N-]C2=NSN=C2)C=C1)C(=O)[O-]	REAL300013422070	1	39	-2.0	-87.78	341.95	4.96	-82.82
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NSN=C2)C1	REAL300013422071	1	27	-2.0	-94.46	265.35	2.94	-91.52
O=C([O-])CN1C(=O)NC2(CCN(C(=O)[N-]C3=NSN=C3)CC2)C1=O	REAL300013422072	1	36	-2.0	-92.58	324.21	1.83	-90.75
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NSN=C3)=CC=C21	REAL300013422073	0	31	-2.0	-100.24	296.34	4.69	-95.55
CC1=NC(CC(C)C)=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013426495	1	43	-2.0	-92.79	371.34	6.82	-85.97
CC1=NC(CC(C)C)=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013426505	1	46	-2.0	-89.64	392.73	7.62	-82.02
CC1=NC(CC(C)C)=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013426553	1	40	-2.0	-97.71	349.08	6.91	-90.80
CC1=NC(CC(C)C)=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013426572	1	47	-2.0	-97.00	404.86	8.28	-88.72
O=C([O-])C1CCN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CC1	REAL300013427161	0	41	-2.0	-96.78	370.99	8.75	-88.03
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1	REAL300013427162	0	43	-2.0	-91.67	380.10	6.81	-84.86
O=C([O-])C1CN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CCO1	REAL300013427163	0	39	-2.0	-98.14	362.48	7.10	-91.04
CN(CCC(=O)[O-])C(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1	REAL300013427164	0	37	-2.0	-99.71	351.81	7.74	-91.97
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CC1	REAL300013427165	0	44	-2.0	-95.10	393.96	7.66	-87.44
O=C([O-])CCCCNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1	REAL300013427166	0	40	-2.0	-93.92	375.06	6.66	-87.26
O=C([O-])CCNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1	REAL300013427167	0	34	-2.0	-96.47	332.06	5.08	-91.39
O=C([O-])CCCCCNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1	REAL300013427168	0	43	-2.0	-92.07	396.56	7.44	-84.63
CC(O)(CNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427169	0	38	-2.0	-94.62	360.16	3.37	-91.25
CC(C)(CNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427170	0	40	-2.0	-97.43	366.92	6.54	-90.89
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427171	0	41	-2.0	-96.19	375.53	8.04	-88.15
CC(CN(C)C(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427172	0	40	-2.0	-101.76	366.13	8.30	-93.46
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427173	0	44	-2.0	-102.04	385.96	9.50	-92.54
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CC1	REAL300013427174	0	44	-2.0	-97.10	382.91	8.94	-88.16
O=C([O-])CCCNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1	REAL300013427175	0	37	-2.0	-92.66	353.56	5.88	-86.78
CC1CCN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CC1C(=O)[O-]	REAL300013427176	0	44	-2.0	-100.75	381.67	8.93	-91.82
CC(C)(CCNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427177	0	43	-2.0	-92.76	386.85	6.76	-86.00
CCC(CC)(CNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427178	0	46	-2.0	-105.40	399.15	7.56	-97.84
O=C([O-])CC1(NC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CCC1	REAL300013427179	0	41	-2.0	-108.60	373.51	7.32	-101.28
CC(CNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427180	0	37	-2.0	-96.95	350.61	5.84	-91.11
CC(C)C(CNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427181	0	43	-2.0	-104.34	389.35	7.02	-97.32
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427182	0	41	-2.0	-92.61	374.98	7.17	-85.44
O=C([O-])C1(CNC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CCCC1	REAL300013427183	0	44	-2.0	-105.72	392.02	7.93	-97.79
CC1CN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CCC1C(=O)[O-]	REAL300013427184	0	44	-2.0	-97.49	389.32	9.24	-88.25
O=C([O-])C1(CNC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CCC1	REAL300013427185	0	41	-2.0	-103.92	374.94	7.08	-96.84
O=C([O-])CC(CNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1)C1CC1	REAL300013427186	0	44	-2.0	-103.21	399.07	7.87	-95.34
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CC1	REAL300013427187	0	44	-2.0	-97.10	382.91	8.94	-88.16
O=C([O-])C1(CNC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CC1	REAL300013427188	0	38	-2.0	-103.93	359.21	6.81	-97.12
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427189	0	38	-2.0	-94.22	358.68	6.44	-87.78
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427190	0	41	-2.0	-99.48	370.48	8.69	-90.79
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427191	0	41	-2.0	-99.76	370.93	8.71	-91.05
O=C([O-])C1CC(NC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427192	0	38	-2.0	-94.11	359.03	6.44	-87.67
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427193	0	38	-2.0	-93.31	358.50	6.49	-86.82
CCC(CNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427194	0	40	-2.0	-103.20	372.56	6.54	-96.66
O=C([O-])CCCCCCNC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1	REAL300013427195	0	46	-2.0	-92.65	418.06	8.22	-84.43
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1	REAL300013427196	0	40	-2.0	-102.07	373.31	8.55	-93.52
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427197	0	44	-2.0	-99.15	385.56	9.41	-89.74
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1	REAL300013427198	0	44	-2.0	-105.36	404.99	7.91	-97.45
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1	REAL300013427199	0	44	-2.0	-102.63	385.68	9.25	-93.38
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427200	0	42	-2.0	-97.92	379.90	6.24	-91.68
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)=C1	REAL300013427201	0	38	-2.0	-98.36	368.03	8.60	-89.76
O=C([O-])C12CC(NC(=O)[N-]C3=NC(SCC4=CC=CC=C4)=NS3)(C1)C2	REAL300013427202	0	39	-2.0	-96.07	368.77	6.66	-89.41
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CC1	REAL300013427203	0	44	-2.0	-99.49	389.53	8.10	-91.39
O=C([O-])CC1CCN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CC1	REAL300013427204	0	44	-2.0	-94.44	387.98	9.36	-85.08
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427205	0	44	-2.0	-94.43	393.96	7.66	-86.77
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427206	0	44	-2.0	-94.10	393.44	7.65	-86.45
O=C([O-])C1(CNC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CCOC1	REAL300013427207	0	42	-2.0	-102.19	380.71	5.21	-96.98
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1	REAL300013427208	0	42	-2.0	-120.66	378.65	8.90	-111.76
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC(SCC3=CC=CC=C3)=NS1)C2	REAL300013427209	0	39	-2.0	-98.08	370.48	7.16	-90.92
O=C([O-])C1(CNC(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CC1	REAL300013427210	0	38	-2.0	-103.93	359.21	6.81	-97.12
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)CCO1	REAL300013427211	0	42	-2.0	-97.90	378.12	7.92	-89.98
O=C([O-])C1CCN(C(=O)[N-]C2=NC(SCC3=CC=CC=C3)=NS2)C1	REAL300013427212	0	38	-2.0	-96.09	355.47	7.55	-88.54
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC(SCC3=CC=CC=C3)=NS1)C2	REAL300013427213	0	39	-2.0	-95.36	369.45	7.19	-88.17
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(SCC2=CC=CC=C2)=NS1	REAL300013427214	0	40	-2.0	-95.51	373.32	6.88	-88.63
CCCSC1=NSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013427215	0	37	-2.0	-95.12	332.58	6.49	-88.63
CCCSC1=NSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013427216	0	37	-2.0	-91.56	349.25	6.36	-85.20
CCCSC1=NSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013427217	0	37	-2.0	-90.67	352.92	5.75	-84.92
CCCSC1=NSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013427218	0	39	-2.0	-90.01	341.69	4.57	-85.44
CCCSC1=NSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013427219	0	35	-2.0	-96.40	324.07	4.85	-91.55
CCCSC1=NSC([N-]C(=O)N(C)CCC(=O)[O-])=N1	REAL300013427220	0	33	-2.0	-97.95	313.40	5.50	-92.45
CCCSC1=NSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013427221	0	40	-2.0	-93.48	355.55	5.43	-88.05
CCCSC1=NSC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013427222	0	36	-2.0	-92.32	336.66	4.41	-87.91
CCCSC1=NSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013427223	0	37	-2.0	-97.45	352.92	5.74	-91.71
CCCSC1=NSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013427224	0	39	-2.0	-90.47	358.15	5.19	-85.28
CCCSC1=NSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013427225	0	34	-2.0	-92.82	321.75	1.12	-91.70
CCCSC1=NSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013427226	0	36	-2.0	-95.70	328.51	4.30	-91.40
CCCSC1=NSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013427227	0	40	-2.0	-89.12	370.65	7.16	-81.96
CCCSC1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013427228	0	37	-2.0	-93.35	336.57	5.92	-87.43
CCCSC1=NSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013427229	0	36	-2.0	-100.45	328.59	6.08	-94.37
CCCSC1=NSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013427230	0	40	-2.0	-100.13	347.55	7.25	-92.88
CCCSC1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013427231	0	40	-2.0	-95.68	345.28	6.74	-88.94
CCCSC1=NSC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013427232	0	33	-2.0	-91.00	315.16	3.63	-87.37
CCCSC1=NSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013427233	0	40	-2.0	-99.31	350.87	6.98	-92.33
CCCSC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013427234	0	41	-2.0	-99.73	356.23	3.61	-96.12
CCCSC1=NSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013427235	0	39	-2.0	-91.14	348.44	4.52	-86.62
CCCSC1=NSC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N1	REAL300013427236	0	42	-2.0	-103.55	360.75	5.31	-98.24
CCCSC1=NSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013427237	0	37	-2.0	-108.85	335.70	5.04	-103.81
CCCSC1=NSC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013427238	0	33	-2.0	-95.29	313.02	3.62	-91.67
CCCSC1=NSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013427239	0	39	-2.0	-101.62	344.69	4.92	-96.70
CCCSC1=NSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013427240	0	46	-2.0	-99.15	387.53	6.19	-92.96
CCCSC1=NSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013427241	0	43	-2.0	-104.24	378.65	7.19	-97.05
CCCSC1=NSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013427242	0	37	-2.0	-90.90	336.57	4.92	-85.98
CCCSC1=NSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013427243	0	43	-2.0	-92.91	371.89	7.88	-85.03
CCCSC1=NSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013427244	0	39	-2.0	-105.52	348.98	4.42	-101.10
CCCSC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013427245	0	40	-2.0	-103.89	353.61	5.68	-98.21
CCCSC1=NSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013427246	0	40	-2.0	-95.77	350.91	7.00	-88.77
CCCSC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013427247	0	37	-2.0	-102.12	336.54	4.84	-97.28
CCCSC1=NSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013427248	0	40	-2.0	-101.56	360.66	5.62	-95.94
CCCSC1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013427249	0	40	-2.0	-95.68	345.28	6.74	-88.94
CCCSC1=NSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013427250	0	45	-2.0	-103.68	381.65	6.06	-97.62
CCCSC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013427251	0	34	-2.0	-102.11	320.80	4.57	-97.54
CCCSC1=NSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013427252	0	37	-2.0	-113.18	346.52	5.86	-107.32
CCCSC1=NSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)=N1	REAL300013427253	0	41	-2.0	-102.43	367.16	4.95	-97.48
CCCSC1=NSC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013427254	0	34	-2.0	-92.52	320.30	4.20	-88.32
CCCSC1=NSC([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)=N1	REAL300013427255	0	42	-2.0	-89.49	368.65	3.27	-86.22
CCCSC1=NSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013427256	0	37	-2.0	-97.82	332.07	6.44	-91.38
CCCSC1=NSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013427257	0	37	-2.0	-98.01	332.52	6.47	-91.54
CCCSC1=NSC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013427258	0	34	-2.0	-92.45	320.63	4.20	-88.25
CCCSC1=NSC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013427259	0	34	-2.0	-91.59	320.45	4.24	-87.35
CCCSC1=NSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013427260	0	37	-2.0	-97.45	352.92	5.74	-91.71
CCCSC1=NSC([N-]C(=O)NCC(CC)C(=O)[O-])=N1	REAL300013427261	0	36	-2.0	-100.58	329.23	4.52	-96.06
CCCSC1=NSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013427262	0	43	-2.0	-111.90	365.25	7.80	-104.10
CCCSC1=NSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013427263	0	45	-2.0	-89.94	401.15	6.76	-83.18
CCCSC1=NSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013427264	0	42	-2.0	-91.13	379.65	5.97	-85.16
CCCSC1=NSC([N-]C(=O)N(C)CCCC(=O)[O-])=N1	REAL300013427265	0	36	-2.0	-100.33	334.90	6.31	-94.02
CCCSC1=NSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013427266	0	40	-2.0	-97.57	347.16	7.18	-90.39
CCCSC1=NSC([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)=N1	REAL300013427267	0	44	-2.0	-100.45	378.25	6.98	-93.47
CCCSC1=NSC([N-]C(=O)N(CCOC)CCC(=O)[O-])=N1	REAL300013427268	0	40	-2.0	-103.45	366.59	5.67	-97.78
CCCSC1=NSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013427269	0	43	-2.0	-96.77	372.22	7.87	-88.90
CCCSC1=NSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013427270	0	41	-2.0	-116.99	364.74	9.01	-107.98
CCCSC1=NSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013427271	0	38	-2.0	-86.88	343.98	5.11	-81.77
CCCSC1=NSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013427272	0	40	-2.0	-101.04	348.49	7.06	-93.98
CCCSC1=NSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013427273	0	44	-2.0	-100.02	394.33	8.86	-91.16
CCCSC1=NSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013427274	0	38	-2.0	-96.18	341.49	3.99	-92.19
CCCSC1=NSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013427275	0	41	-2.0	-93.08	371.12	6.74	-86.34
CCCSC1=NSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013427276	0	44	-2.0	-124.34	381.22	5.95	-118.39
CCCSC1=NSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013427277	0	34	-2.0	-96.61	329.62	6.37	-90.24
CCCSC1=NSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300013427278	0	44	-2.0	-98.00	375.47	6.61	-91.39
CCCSC1=NSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013427279	0	35	-2.0	-94.36	330.37	4.42	-89.94
CCCSC1=NSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013427280	0	46	-2.0	-106.51	376.41	6.42	-100.09
CCCSC1=NSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013427281	0	40	-2.0	-98.16	351.13	5.84	-92.32
CCCSC1=NSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013427282	0	43	-2.0	-90.72	373.98	6.12	-84.60
CCCSC1=NSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013427283	0	40	-2.0	-92.79	349.57	7.11	-85.68
CCCSC1=NSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013427284	0	41	-2.0	-93.91	366.18	6.53	-87.38
CCCSC1=NSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013427285	0	40	-2.0	-92.79	355.54	5.42	-87.37
CCCSC1=NSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013427286	0	40	-2.0	-92.46	355.03	5.41	-87.05
CCCSC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013427287	0	41	-2.0	-103.00	357.49	3.99	-99.01
CCCSC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013427288	0	38	-2.0	-100.36	342.30	2.96	-97.40
CCCSC1=NSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013427289	0	38	-2.0	-118.72	340.24	6.66	-112.06
CCCSC1=NSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013427290	0	35	-2.0	-96.23	332.03	4.92	-91.31
CCCSC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013427291	0	34	-2.0	-102.11	320.80	4.57	-97.54
CCCSC1=NSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013427292	0	41	-2.0	-96.02	359.40	7.03	-88.99
CCCSC1=NSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013427293	0	37	-2.0	-99.40	352.18	6.10	-93.30
CCCSC1=NSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013427294	0	38	-2.0	-96.23	339.69	5.66	-90.57
CCCSC1=NSC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013427295	0	41	-2.0	-95.58	364.60	5.42	-90.16
CCCSC1=NSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013427296	0	41	-2.0	-96.11	382.51	7.85	-88.26
CCCSC1=NSC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013427297	0	34	-2.0	-94.36	317.06	5.31	-89.05
CCCSC1=NSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013427298	0	35	-2.0	-93.76	331.04	4.95	-88.81
CCCSC1=NSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013427299	0	43	-2.0	-110.72	359.32	6.82	-103.90
CCCSC1=NSC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013427300	0	36	-2.0	-93.75	334.91	4.64	-89.11
O=C([O-])C1CCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427301	0	38	-2.0	-98.03	349.41	7.95	-90.08
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)=C1	REAL300013427302	0	38	-2.0	-94.26	365.82	7.84	-86.42
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C=C1	REAL300013427303	0	38	-2.0	-93.47	369.74	7.19	-86.28
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300013427304	0	40	-2.0	-92.88	358.52	6.01	-86.87
O=C([O-])C1CN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CCO1	REAL300013427305	0	36	-2.0	-99.28	340.89	6.30	-92.98
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427306	0	41	-2.0	-96.16	372.38	6.86	-89.30
O=C([O-])CCCCNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300013427307	0	37	-2.0	-95.04	353.48	5.85	-89.19
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)=CC=C1	REAL300013427308	0	38	-2.0	-100.35	369.75	7.18	-93.17
O=C([O-])CCNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300013427309	0	31	-2.0	-97.65	310.48	4.28	-93.37
O=C([O-])CCCCCNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300013427310	0	40	-2.0	-93.26	374.98	6.64	-86.62
CC(O)(CNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427311	0	35	-2.0	-95.86	338.58	2.57	-93.29
CC(C)(CNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427312	0	37	-2.0	-98.63	345.34	5.75	-92.88
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427313	0	38	-2.0	-97.31	353.95	7.24	-90.07
CC(CN(C)C(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427314	0	37	-2.0	-103.31	345.36	7.52	-95.79
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427315	0	41	-2.0	-103.44	364.38	8.69	-94.75
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427316	0	41	-2.0	-98.33	361.33	8.13	-90.20
O=C([O-])CCCNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300013427317	0	34	-2.0	-93.86	331.98	5.07	-88.79
CC1CCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1C(=O)[O-]	REAL300013427318	0	41	-2.0	-101.89	359.99	8.12	-93.77
O=C([O-])C1(CNC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CCOCC1	REAL300013427319	0	42	-2.0	-102.93	373.05	5.05	-97.88
CC(C)(CCNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427320	0	40	-2.0	-94.00	365.27	5.96	-88.04
CCC(CC)(CNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427321	0	43	-2.0	-105.51	372.87	6.92	-98.59
O=C([O-])CC1(NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CCC1	REAL300013427322	0	38	-2.0	-107.42	351.56	6.51	-100.91
CC(CNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427323	0	34	-2.0	-98.16	329.03	5.04	-93.12
CC(C)C(CNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427324	0	40	-2.0	-104.24	362.51	6.33	-97.91
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427325	0	38	-2.0	-93.76	353.40	6.37	-87.39
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427326	0	44	-2.0	-95.80	388.72	9.34	-86.46
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC(SC3=CC=CC=C3)=NS1)C2	REAL300013427327	0	40	-2.0	-96.36	365.11	5.96	-90.40
O=C([O-])C1(CNC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CCCC1	REAL300013427328	0	41	-2.0	-107.07	370.44	7.12	-99.95
CC1CN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CCC1C(=O)[O-]	REAL300013427329	0	41	-2.0	-95.99	361.30	8.60	-87.39
O=C([O-])C1(CNC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CCC1	REAL300013427330	0	38	-2.0	-105.27	353.36	6.28	-98.99
O=C([O-])CC(CNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1)C1CC1	REAL300013427331	0	41	-2.0	-104.43	377.99	7.14	-97.29
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427332	0	41	-2.0	-98.33	361.33	8.13	-90.20
CC(C)C[C@H](CNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1)CC(=O)[O-]	REAL300013427333	0	46	-2.0	-105.12	398.23	7.45	-97.67
O=C([O-])C1(CNC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427334	0	35	-2.0	-105.33	337.62	6.01	-99.32
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300013427335	0	38	-2.0	-116.39	363.35	7.30	-109.09
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427336	0	42	-2.0	-105.40	383.99	6.39	-99.01
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427337	0	35	-2.0	-95.43	337.11	5.64	-89.79
O=C([O-])CN1CCC(NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427338	0	43	-2.0	-92.15	385.44	4.71	-87.44
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427339	0	38	-2.0	-100.63	348.89	7.89	-92.74
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427340	0	38	-2.0	-100.89	349.35	7.91	-92.98
O=C([O-])C1CC(NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427341	0	35	-2.0	-95.38	337.45	5.64	-89.74
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427342	0	35	-2.0	-94.41	337.27	5.68	-88.73
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)=CC=C1	REAL300013427343	0	38	-2.0	-100.35	369.75	7.18	-93.17
CCC(CNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1)C(=O)[O-]	REAL300013427344	0	37	-2.0	-103.86	345.80	5.94	-97.92
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300013427345	0	44	-2.0	-114.51	382.07	9.24	-105.27
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300013427346	0	46	-2.0	-92.59	417.98	8.20	-84.39
O=C([O-])CCCCCCNC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300013427347	0	43	-2.0	-93.79	396.48	7.42	-86.37
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427348	0	41	-2.0	-100.40	363.98	8.61	-91.79
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427349	0	44	-2.0	-99.43	389.01	9.31	-90.12
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427350	0	39	-2.0	-89.85	360.80	6.55	-83.30
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300013427351	0	41	-2.0	-104.06	364.10	8.44	-95.62
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427352	0	39	-2.0	-99.08	358.31	5.43	-93.65
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)=C1	REAL300013427353	0	35	-2.0	-99.32	346.44	7.81	-91.51
O=C([O-])C12CC(NC(=O)[N-]C3=NC(SC4=CC=CC=C4)=NS3)(C1)C2	REAL300013427354	0	36	-2.0	-97.02	347.19	5.86	-91.16
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427355	0	41	-2.0	-100.80	367.94	7.30	-93.50
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427356	0	44	-2.0	-93.57	390.81	7.55	-86.02
O=C([O-])CC1CCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427357	0	41	-2.0	-95.69	366.40	8.56	-87.13
O=C([O-])COC1CCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427358	0	42	-2.0	-96.76	383.01	7.98	-88.78
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427359	0	41	-2.0	-95.68	372.38	6.86	-88.82
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427360	0	41	-2.0	-95.31	371.85	6.85	-88.46
O=C([O-])C1(CNC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CCCOC1	REAL300013427361	0	42	-2.0	-106.23	374.32	5.43	-100.80
O=C([O-])C1(CNC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CCOC1	REAL300013427362	0	39	-2.0	-103.47	359.12	4.41	-99.06
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300013427363	0	39	-2.0	-121.76	357.07	8.10	-113.66
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC(SC3=CC=CC=C3)=NS1)C2	REAL300013427364	0	36	-2.0	-99.21	348.85	6.36	-92.85
O=C([O-])C1(CNC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC1	REAL300013427365	0	35	-2.0	-105.33	337.62	6.01	-99.32
O=C([O-])C1CN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CC12CCC2	REAL300013427366	0	42	-2.0	-99.12	376.17	8.48	-90.64
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CCO1	REAL300013427367	0	39	-2.0	-99.05	356.54	7.11	-91.94
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427368	0	42	-2.0	-98.46	381.42	6.86	-91.60
O=C([O-])C1CCN(C(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)C1	REAL300013427369	0	35	-2.0	-97.29	333.89	6.75	-90.54
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC(SC3=CC=CC=C3)=NS1)C2	REAL300013427370	0	36	-2.0	-96.64	347.87	6.39	-90.25
O=C([O-])CC1(NC(=O)[N-]C2=NC(SC3=CC=CC=C3)=NS2)CCCCC1	REAL300013427371	0	44	-2.0	-113.82	376.14	8.26	-105.56
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(SC2=CC=CC=C2)=NS1	REAL300013427372	0	37	-2.0	-96.79	351.74	6.08	-90.71
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429094	0	33	-2.0	-101.13	309.85	5.30	-95.83
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)=C1	REAL300013429095	0	33	-2.0	-97.59	326.52	5.16	-92.43
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C=C1	REAL300013429096	0	33	-2.0	-95.25	330.18	4.55	-90.70
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429097	0	35	-2.0	-94.99	318.96	3.38	-91.61
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CCO1	REAL300013429098	0	31	-2.0	-104.89	301.42	3.66	-101.23
CN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429099	0	29	-2.0	-106.15	290.67	4.30	-101.85
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429100	0	36	-2.0	-100.24	332.82	4.21	-96.03
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429101	0	32	-2.0	-98.82	313.92	3.22	-95.60
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)=CC=C1	REAL300013429102	0	33	-2.0	-103.23	330.19	4.54	-98.69
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429103	0	35	-2.0	-95.93	335.41	4.00	-91.93
CC(O)(CNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C(=O)[O-]	REAL300013429104	0	30	-2.0	-100.55	299.43	-0.01	-100.56
CC(C)(CNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C(=O)[O-]	REAL300013429105	0	32	-2.0	-104.36	306.36	3.10	-101.26
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)=C1	REAL300013429106	0	36	-2.0	-94.54	347.92	5.97	-88.57
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429107	0	33	-2.0	-101.17	313.83	4.72	-96.45
CC(CN(C)C(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C(=O)[O-]	REAL300013429108	0	32	-2.0	-108.59	304.99	4.85	-103.74
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429109	0	36	-2.0	-103.36	330.13	5.81	-97.55
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429110	0	36	-2.0	-100.60	321.77	5.49	-95.11
O=C([O-])CCCNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429111	0	29	-2.0	-96.97	292.42	2.44	-94.53
CC1CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1C(=O)[O-]	REAL300013429112	0	36	-2.0	-107.92	320.53	5.48	-102.44
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CCOCC1	REAL300013429113	0	37	-2.0	-108.16	332.51	2.60	-105.56
CC(C)(CCNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C(=O)[O-]	REAL300013429114	0	35	-2.0	-96.83	325.70	3.32	-93.51
CCC(CC)(CNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C(=O)[O-]	REAL300013429115	0	38	-2.0	-110.47	338.01	4.12	-106.35
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CCC1	REAL300013429116	0	33	-2.0	-113.61	312.37	3.88	-109.73
CC(CNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C(=O)[O-]	REAL300013429117	0	29	-2.0	-103.16	288.59	2.39	-100.77
CC(C)C(CNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C(=O)[O-]	REAL300013429118	0	35	-2.0	-108.39	321.95	3.73	-104.66
CC(NC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013429119	0	42	-2.0	-106.25	367.80	5.56	-100.69
CC(CNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013429120	0	39	-2.0	-111.24	355.92	6.00	-105.24
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429121	0	33	-2.0	-96.35	313.84	3.72	-92.63
O=C([O-])CCC1CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429122	0	39	-2.0	-98.02	349.16	6.69	-91.33
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C2	REAL300013429123	0	35	-2.0	-113.29	326.24	3.22	-110.07
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CCCC1	REAL300013429124	0	36	-2.0	-110.64	330.88	4.49	-106.15
CC1CN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CCC1C(=O)[O-]	REAL300013429125	0	36	-2.0	-97.90	321.74	5.95	-91.95
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CCC1	REAL300013429126	0	33	-2.0	-108.24	313.80	3.64	-104.60
O=C([O-])CC(CNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C1CC1	REAL300013429127	0	36	-2.0	-109.82	337.93	4.43	-105.39
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429128	0	36	-2.0	-100.60	321.77	5.49	-95.11
CC(C)C[C@H](CNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)CC(=O)[O-]	REAL300013429129	0	41	-2.0	-112.32	358.94	4.82	-107.50
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429130	0	30	-2.0	-107.88	298.06	3.38	-104.50
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429131	0	33	-2.0	-121.42	323.79	4.66	-116.76
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429132	0	37	-2.0	-111.02	344.43	3.75	-107.27
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429133	0	30	-2.0	-98.17	297.53	3.00	-95.17
O=C([O-])CN1CCC(NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429134	0	38	-2.0	-95.00	345.92	2.06	-92.94
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429135	0	33	-2.0	-106.39	309.33	5.24	-101.15
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429136	0	33	-2.0	-106.76	309.79	5.26	-101.50
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429137	0	30	-2.0	-98.44	297.89	3.00	-95.44
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429138	0	30	-2.0	-97.72	297.76	3.04	-94.68
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)=CC=C1	REAL300013429139	0	33	-2.0	-103.23	330.19	4.54	-98.69
CCC(CNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C(=O)[O-]	REAL300013429140	0	32	-2.0	-107.43	306.50	3.32	-104.11
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429141	0	39	-2.0	-120.84	342.51	6.61	-114.23
O=C([O-])CCCCCCCNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429142	0	41	-2.0	-95.24	378.41	5.56	-89.68
O=C([O-])CCCCCCNC(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429143	0	38	-2.0	-96.98	356.91	4.78	-92.20
CN(CCCC(=O)[O-])C(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429144	0	32	-2.0	-106.93	312.16	5.10	-101.83
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429145	0	36	-2.0	-106.08	324.39	5.97	-100.11
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429146	0	40	-2.0	-108.84	355.50	5.76	-103.08
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429147	0	36	-2.0	-105.84	343.85	4.46	-101.38
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429148	0	39	-2.0	-104.28	349.44	6.66	-97.62
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC2=CC=CC=C21	REAL300013429149	0	37	-2.0	-125.57	342.01	7.84	-117.73
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429150	0	34	-2.0	-91.97	321.24	3.90	-88.07
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429151	0	36	-2.0	-104.04	325.75	5.85	-98.19
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429152	0	34	-2.0	-104.08	318.76	2.79	-101.29
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C2=CC=CC=C21	REAL300013429153	0	37	-2.0	-98.69	348.38	5.53	-93.16
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1=O	REAL300013429154	0	40	-2.0	-131.78	358.48	4.75	-127.03
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)=C1	REAL300013429155	0	30	-2.0	-104.20	306.88	5.15	-99.05
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429156	0	40	-2.0	-103.24	353.95	4.66	-98.58
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(CC(F)(F)F)S3)(C1)C2	REAL300013429157	0	31	-2.0	-101.93	307.63	3.23	-98.70
O=C([O-])CC1(CNC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CCCCC1	REAL300013429158	0	42	-2.0	-115.39	353.82	5.20	-110.19
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429159	0	36	-2.0	-101.68	328.39	4.65	-97.03
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429160	0	39	-2.0	-96.17	352.57	4.95	-91.22
O=C([O-])CC1CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429161	0	36	-2.0	-97.31	326.84	5.91	-91.40
O=C([O-])COC1CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429162	0	37	-2.0	-99.27	343.44	5.34	-93.93
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429163	0	36	-2.0	-98.80	332.81	4.22	-94.58
O=C([O-])C1CCCC(NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429164	0	36	-2.0	-98.08	327.86	4.63	-93.45
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CCCOC1	REAL300013429165	0	37	-2.0	-110.07	334.75	2.80	-107.27
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CCOC1	REAL300013429166	0	34	-2.0	-105.95	319.56	1.77	-104.18
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429167	0	34	-2.0	-101.12	313.63	5.37	-95.75
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C2	REAL300013429168	0	31	-2.0	-101.80	309.29	3.71	-98.09
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC1	REAL300013429169	0	30	-2.0	-107.88	298.06	3.38	-104.50
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CC12CCC2	REAL300013429170	0	37	-2.0	-100.95	336.66	5.84	-95.11
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429171	0	33	-2.0	-107.20	329.44	4.91	-102.29
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CCO1	REAL300013429172	0	34	-2.0	-104.49	316.98	4.47	-100.02
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429173	0	37	-2.0	-104.06	341.87	4.22	-99.84
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NN=C(CC(F)(F)F)S3)=CC=C21	REAL300013429174	0	37	-2.0	-102.89	359.77	6.66	-96.23
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(CC(F)(F)F)S2)C1	REAL300013429175	0	30	-2.0	-102.34	294.33	4.12	-98.22
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C2	REAL300013429176	0	31	-2.0	-100.43	308.30	3.74	-96.69
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(CC(F)(F)F)S2)CCCCC1	REAL300013429177	0	39	-2.0	-117.89	336.58	5.62	-112.27
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300013429178	0	32	-2.0	-99.51	312.18	3.44	-96.07
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013429560	1	40	-2.0	-96.01	348.79	6.38	-89.63
COC(=O)CCC1=CSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013429561	0	40	-2.0	-93.13	365.45	6.22	-86.91
COC(=O)CCC1=CSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013429562	1	40	-2.0	-91.60	369.11	5.62	-85.98
COC(=O)CCC1=CSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013429563	1	42	-2.0	-91.05	357.89	4.43	-86.62
COC(=O)CCC1=CSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013429564	1	38	-2.0	-98.13	340.35	4.74	-93.39
COC(=O)CCC1=CSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013429565	1	43	-2.0	-94.34	371.74	5.28	-89.06
COC(=O)CCC1=CSC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013429566	1	39	-2.0	-93.36	352.85	4.28	-89.08
COC(=O)CCC1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013429567	1	40	-2.0	-98.52	369.11	5.61	-92.91
COC(=O)CCC1=CSC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013429568	1	33	-2.0	-96.65	309.85	2.71	-93.94
COC(=O)CCC1=CSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013429569	1	42	-2.0	-91.47	374.35	5.07	-86.40
COC(=O)CCC1=CSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013429570	1	37	-2.0	-94.77	337.94	1.00	-93.77
COC(=O)CCC1=CSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013429571	1	39	-2.0	-97.79	345.29	4.16	-93.63
COC(=O)CCC1=CSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013429572	0	43	-2.0	-90.26	386.85	7.02	-83.24
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013429573	1	40	-2.0	-95.19	352.75	5.78	-89.41
COC(=O)CCC1=CSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013429574	1	39	-2.0	-96.47	343.68	5.68	-90.79
COC(=O)CCC1=CSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013429575	1	43	-2.0	-101.63	364.41	7.15	-94.48
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013429576	1	43	-2.0	-96.73	360.68	6.55	-90.18
COC(=O)CCC1=CSC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013429577	1	36	-2.0	-92.47	331.35	3.50	-88.97
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013429578	1	43	-2.0	-100.87	367.05	6.85	-94.02
COC(=O)CCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013429579	1	44	-2.0	-101.96	372.41	3.47	-98.49
COC(=O)CCC1=CSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013429580	1	42	-2.0	-92.54	364.05	4.37	-88.17
CCC(CC)(CNC(=O)[N-]C1=NC(CCC(=O)OC)=CS1)C(=O)[O-]	REAL300013429581	1	45	-2.0	-105.85	376.94	5.19	-100.66
COC(=O)CCC1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013429582	1	40	-2.0	-107.96	351.29	4.93	-103.03
COC(=O)CCC1=CSC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013429583	1	36	-2.0	-97.19	328.41	3.47	-93.72
COC(=O)CCC1=CSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013429584	1	42	-2.0	-103.82	360.88	4.78	-99.04
COC(=O)CCC1=CSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013429585	1	49	-2.0	-99.85	406.32	6.66	-93.19
COC(=O)CCC1=CSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013429586	1	46	-2.0	-106.55	394.85	7.06	-99.49
COC(=O)CCC1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013429587	1	40	-2.0	-92.30	352.76	4.78	-87.52
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013429588	1	46	-2.0	-93.38	388.10	7.76	-85.62
COC(=O)CCC1=CSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013429589	1	42	-2.0	-95.19	364.48	4.38	-90.81
COC(=O)CCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013429590	1	43	-2.0	-106.14	369.80	5.55	-100.59
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013429591	1	43	-2.0	-96.79	367.10	6.87	-89.92
COC(=O)CCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013429592	1	40	-2.0	-104.70	351.82	4.86	-99.84
COC(=O)CCC1=CSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013429593	1	43	-2.0	-103.60	376.86	5.50	-98.10
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013429594	1	43	-2.0	-96.73	360.68	6.55	-90.18
COC(=O)CCC1=CSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013429595	1	48	-2.0	-106.73	397.86	5.88	-100.85
COC(=O)CCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013429596	1	37	-2.0	-104.38	336.98	4.44	-99.94
COC(=O)CCC1=CSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013429597	1	40	-2.0	-115.06	362.72	5.73	-109.33
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CCC(=O)OC)=CS2)C1	REAL300013429598	1	44	-2.0	-108.65	384.91	4.80	-103.85
COC(=O)CCC1=CSC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013429599	1	37	-2.0	-94.03	336.43	4.06	-89.97
COC(=O)CCC1=CSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013429601	1	40	-2.0	-99.34	347.58	6.29	-93.05
COC(=O)CCC1=CSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013429602	1	40	-2.0	-99.56	348.71	6.35	-93.21
COC(=O)CCC1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013429603	1	37	-2.0	-92.99	336.29	4.11	-88.88
COC(=O)CCC1=CSC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013429604	1	37	-2.0	-93.08	336.64	4.10	-88.98
COC(=O)CCC1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013429605	1	40	-2.0	-98.52	369.11	5.61	-92.91
CCC(CNC(=O)[N-]C1=NC(CCC(=O)OC)=CS1)C(=O)[O-]	REAL300013429606	1	39	-2.0	-104.05	350.35	4.17	-99.88
COC(=O)CCC1=CSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013429607	1	46	-2.0	-111.60	381.43	7.67	-103.93
COC(=O)CCC1=CSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013429608	1	48	-2.0	-90.67	417.34	6.63	-84.04
COC(=O)CCC1=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013429609	1	45	-2.0	-91.91	395.85	5.85	-86.06
COC(=O)CCC1=CSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013429610	1	43	-2.0	-98.95	363.35	7.02	-91.93
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(CCC(=O)OC)=CS2)C1	REAL300013429611	1	47	-2.0	-103.16	395.36	6.20	-96.96
COC(=O)CCC1=CSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013429612	1	46	-2.0	-97.42	388.37	7.75	-89.67
COC(=O)CCC1=CSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013429613	1	44	-2.0	-118.46	380.94	8.86	-109.60
COC(=O)CCC1=CSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013429614	1	41	-2.0	-88.04	360.17	4.99	-83.05
COC(=O)CCC1=CSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013429615	1	43	-2.0	-102.19	363.46	6.87	-95.32
COC(=O)CCC1=CSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013429616	1	41	-2.0	-97.71	357.67	3.87	-93.84
COC(=O)CCC1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013429617	1	44	-2.0	-94.52	387.31	6.60	-87.92
COC(=O)CCC1=CSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013429618	1	47	-2.0	-125.08	397.40	5.81	-119.27
COC(=O)CCC1=CSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013429619	0	37	-2.0	-98.15	345.80	6.23	-91.92
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CCC(=O)OC)=CS2)CC1	REAL300013429620	1	47	-2.0	-98.98	391.69	6.49	-92.49
COC(=O)CCC1=CSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013429621	1	38	-2.0	-95.41	346.57	4.29	-91.12
COC(=O)CCC1=CSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013429622	1	49	-2.0	-106.96	392.74	6.27	-100.69
COC(=O)CCC1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013429623	1	43	-2.0	-99.19	367.32	5.72	-93.47
COC(=O)CCC1=CSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013429624	1	46	-2.0	-92.17	391.50	6.01	-86.16
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013429625	1	43	-2.0	-93.86	365.79	6.99	-86.87
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013429626	1	44	-2.0	-94.33	382.39	6.41	-87.92
COC(=O)CCC1=CSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013429627	1	43	-2.0	-94.02	371.76	5.28	-88.74
COC(=O)CCC1=CSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013429628	1	43	-2.0	-94.26	366.78	5.69	-88.57
COC(=O)CCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013429629	1	44	-2.0	-105.37	373.68	3.87	-101.50
COC(=O)CCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013429630	1	41	-2.0	-102.81	358.49	2.84	-99.97
COC(=O)CCC1=CSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013429631	1	41	-2.0	-120.50	356.44	6.52	-113.98
COC(=O)CCC1=CSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013429632	1	38	-2.0	-97.94	347.97	4.79	-93.15
COC(=O)CCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013429633	1	37	-2.0	-104.38	336.98	4.44	-99.94
COC(=O)CCC1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013429634	1	44	-2.0	-98.86	376.69	6.95	-91.91
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013429635	1	40	-2.0	-101.04	368.36	5.97	-95.07
COC(=O)CCC1=CSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013429636	1	41	-2.0	-97.80	355.92	5.54	-92.26
COC(=O)CCC1=CSC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013429637	1	44	-2.0	-97.31	380.78	5.29	-92.02
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013429638	1	37	-2.0	-95.83	333.61	5.19	-90.64
COC(=O)CCC1=CSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013429639	1	38	-2.0	-95.06	347.49	4.80	-90.26
COC(=O)CCC1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013429640	1	46	-2.0	-111.63	375.51	6.68	-104.95
COC(=O)CCC1=CSC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013429641	1	39	-2.0	-94.91	351.11	4.50	-90.41
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430005	1	42	-2.0	-97.38	343.95	5.54	-91.84
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)=C1	REAL300013430006	0	42	-2.0	-94.17	360.63	5.38	-88.79
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C=C1	REAL300013430007	1	42	-2.0	-92.49	364.30	4.78	-87.71
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013430008	1	44	-2.0	-92.28	353.08	3.59	-88.69
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCO1	REAL300013430009	1	40	-2.0	-99.27	335.58	3.91	-95.36
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430010	1	45	-2.0	-95.38	366.94	4.44	-90.94
O=C([O-])CCCCNC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013430011	1	41	-2.0	-94.39	348.04	3.45	-90.94
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3CCOCC3)=CS2)=CC=C1	REAL300013430012	1	42	-2.0	-99.77	364.30	4.77	-95.00
O=C([O-])CCCCCNC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013430013	1	44	-2.0	-92.42	369.54	4.23	-88.19
CC(O)(CNC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013430014	1	39	-2.0	-95.81	333.55	0.23	-95.58
CC(C)(CNC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013430015	1	41	-2.0	-98.95	340.48	3.33	-95.62
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)=C1	REAL300013430016	0	45	-2.0	-91.10	382.03	6.19	-84.91
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430017	1	42	-2.0	-96.34	347.95	4.94	-91.40
CC(CN(C)C(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013430018	1	41	-2.0	-97.66	338.86	4.84	-92.82
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430019	1	45	-2.0	-103.37	359.61	6.31	-97.06
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430020	1	45	-2.0	-97.76	355.89	5.72	-92.04
O=C([O-])CCCNC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013430021	1	38	-2.0	-93.52	326.54	2.67	-90.85
CC1CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1C(=O)[O-]	REAL300013430022	1	45	-2.0	-102.14	362.26	6.01	-96.13
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCOCC1	REAL300013430023	1	46	-2.0	-103.55	367.61	2.64	-100.91
CC(C)(CCNC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013430024	1	44	-2.0	-93.69	359.82	3.55	-90.14
CCC(CC)(CNC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013430025	1	47	-2.0	-107.51	372.13	4.35	-103.16
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCC1	REAL300013430026	1	42	-2.0	-110.05	346.76	3.97	-106.08
CC(CNC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013430027	1	38	-2.0	-98.24	323.58	2.63	-95.61
CC(C)C(CNC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013430028	1	44	-2.0	-106.54	362.32	3.81	-102.73
CC(NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013430029	1	51	-2.0	-101.20	401.98	5.79	-95.41
CC(CNC(=O)[N-]C1=NC(C2CCOCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013430030	1	48	-2.0	-108.43	390.03	6.23	-102.20
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430031	1	42	-2.0	-93.34	347.97	3.95	-89.39
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430032	1	48	-2.0	-94.65	383.28	6.93	-87.72
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC(C3CCOCC3)=CS1)C2	REAL300013430033	1	44	-2.0	-96.43	359.68	3.54	-92.89
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCCC1	REAL300013430034	1	45	-2.0	-107.86	364.99	4.72	-103.14
CC1CN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCC1C(=O)[O-]	REAL300013430035	1	45	-2.0	-98.24	362.29	6.03	-92.21
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCC1	REAL300013430036	1	42	-2.0	-106.35	347.02	4.02	-102.33
O=C([O-])CC(CNC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1CC1	REAL300013430037	1	45	-2.0	-104.83	372.05	4.66	-100.17
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430038	1	45	-2.0	-97.76	355.89	5.72	-92.04
CC(C)C[C@H](CNC(=O)[N-]C1=NC(C2CCOCC2)=CS1)CC(=O)[O-]	REAL300013430039	1	50	-2.0	-108.08	393.05	5.05	-103.03
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430040	1	39	-2.0	-105.98	332.18	3.61	-102.37
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013430041	1	42	-2.0	-116.93	357.93	4.87	-112.06
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430042	1	46	-2.0	-109.82	380.11	3.96	-105.86
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430043	1	39	-2.0	-95.11	331.63	3.22	-91.89
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430045	1	42	-2.0	-100.57	343.47	5.48	-95.09
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430046	1	42	-2.0	-100.80	343.92	5.50	-95.30
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430047	1	39	-2.0	-94.14	331.48	3.28	-90.86
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430048	1	39	-2.0	-94.09	331.84	3.27	-90.82
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3CCOCC3)=CS2)=CC=C1	REAL300013430049	1	42	-2.0	-99.77	364.30	4.77	-95.00
CCC(CNC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013430050	1	41	-2.0	-105.31	345.54	3.33	-101.98
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013430051	1	48	-2.0	-113.43	376.63	6.84	-106.59
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013430052	1	50	-2.0	-91.58	412.53	5.79	-85.79
O=C([O-])CCCCCCNC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013430053	1	47	-2.0	-92.80	391.04	5.01	-87.79
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430054	1	45	-2.0	-100.15	358.54	6.20	-93.95
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430055	1	49	-2.0	-104.44	390.55	5.37	-99.07
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430056	1	48	-2.0	-98.72	383.57	6.90	-91.82
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC2=CC=CC=C21	REAL300013430057	1	46	-2.0	-120.30	376.13	8.03	-112.27
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430058	1	43	-2.0	-89.08	355.36	4.15	-84.93
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013430059	1	45	-2.0	-103.98	358.66	6.04	-97.94
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430060	1	43	-2.0	-98.93	352.86	3.04	-95.89
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C2=CC=CC=C21	REAL300013430061	1	46	-2.0	-95.69	382.50	5.76	-89.93
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1=O	REAL300013430062	1	49	-2.0	-126.77	392.60	4.97	-121.80
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)=C1	REAL300013430063	0	39	-2.0	-99.17	341.00	5.39	-93.78
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430064	1	49	-2.0	-100.30	386.88	5.65	-94.65
O=C([O-])C12CC(NC(=O)[N-]C3=NC(C4CCOCC4)=CS3)(C1)C2	REAL300013430065	1	40	-2.0	-96.51	341.76	3.46	-93.05
O=C([O-])CC1(CNC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCCCC1	REAL300013430066	1	51	-2.0	-111.44	387.95	5.42	-106.02
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430067	1	45	-2.0	-100.32	362.50	4.88	-95.44
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430068	1	48	-2.0	-92.57	385.36	5.14	-87.43
O=C([O-])CC1CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430069	1	45	-2.0	-95.18	360.97	6.15	-89.03
O=C([O-])COC1CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430070	1	46	-2.0	-95.71	377.57	5.57	-90.14
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430071	1	45	-2.0	-95.26	366.95	4.44	-90.82
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430072	1	45	-2.0	-94.99	366.41	4.43	-90.56
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCCOC1	REAL300013430073	1	46	-2.0	-107.05	368.87	3.03	-104.02
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCOC1	REAL300013430074	1	43	-2.0	-104.14	353.68	2.00	-102.14
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013430075	1	43	-2.0	-122.04	351.63	5.68	-116.36
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC(C3CCOCC3)=CS1)C2	REAL300013430076	1	40	-2.0	-99.23	343.17	3.95	-95.28
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300013430077	1	39	-2.0	-105.98	332.18	3.61	-102.37
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC12CCC2	REAL300013430078	1	46	-2.0	-100.17	371.89	6.11	-94.06
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430079	1	42	-2.0	-102.51	363.56	5.13	-97.38
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCO1	REAL300013430080	1	43	-2.0	-98.89	351.07	4.69	-94.20
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430081	1	46	-2.0	-98.47	375.98	4.45	-94.02
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300013430082	1	39	-2.0	-96.97	328.80	4.35	-92.62
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC(C3CCOCC3)=CS1)C2	REAL300013430083	1	40	-2.0	-96.24	342.72	3.96	-92.28
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCCCC1	REAL300013430084	1	48	-2.0	-114.02	370.70	5.85	-108.17
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300013430085	1	41	-2.0	-96.40	346.29	3.66	-92.74
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CC1	REAL300013430181	1	34	-2.0	-103.34	320.88	7.67	-95.67
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1	REAL300013430182	1	36	-2.0	-97.23	329.99	5.74	-91.49
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CCO1	REAL300013430183	1	32	-2.0	-107.66	312.52	6.03	-101.63
O=C([O-])C1CCC(NC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CC1	REAL300013430184	1	37	-2.0	-102.37	343.84	6.58	-95.79
O=C([O-])CCCCNC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1	REAL300013430185	1	33	-2.0	-101.02	324.95	5.58	-95.44
O=C([O-])CCNC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1	REAL300013430186	1	27	-2.0	-105.90	281.95	4.01	-101.89
O=C([O-])CCCCCNC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1	REAL300013430187	1	36	-2.0	-98.03	346.45	6.37	-91.66
CC(O)(CNC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300013430188	1	31	-2.0	-103.68	310.05	2.30	-101.38
CC(C)(CNC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300013430189	1	33	-2.0	-107.40	317.39	5.46	-101.94
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)C1	REAL300013430190	1	34	-2.0	-115.62	323.44	7.06	-108.56
CC(CN(C)C(=O)[N-]C1=NC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300013430191	1	33	-2.0	-105.21	315.78	6.98	-98.23
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)C1	REAL300013430192	1	37	-2.0	-105.16	333.77	7.99	-97.17
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CC1	REAL300013430193	1	37	-2.0	-99.42	331.50	7.48	-91.94
O=C([O-])CCCNC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1	REAL300013430194	1	30	-2.0	-99.59	303.45	4.80	-94.79
CC1CCN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CC1C(=O)[O-]	REAL300013430195	1	37	-2.0	-110.53	331.56	7.85	-102.68
CC(C)(CCNC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300013430196	1	36	-2.0	-99.40	336.15	5.68	-93.72
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CCC1	REAL300013430197	1	34	-2.0	-111.23	321.32	5.81	-105.42
CC(CNC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300013430198	1	30	-2.0	-106.44	301.31	4.79	-101.65
CC(C)C(CNC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300013430199	1	36	-2.0	-113.05	339.24	5.95	-107.10
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)C1	REAL300013430200	1	34	-2.0	-94.15	322.79	5.57	-88.58
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CCCC1	REAL300013430201	1	37	-2.0	-109.07	339.83	6.43	-102.64
CC1CN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CCC1C(=O)[O-]	REAL300013430202	1	37	-2.0	-100.67	332.77	8.32	-92.35
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CCC1	REAL300013430203	1	34	-2.0	-107.68	321.85	5.73	-101.95
O=C([O-])CC(CNC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1)C1CC1	REAL300013430204	1	37	-2.0	-105.57	346.88	6.37	-99.20
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CC1	REAL300013430205	1	37	-2.0	-99.42	331.50	7.48	-91.94
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CC1	REAL300013430206	1	31	-2.0	-107.45	307.02	5.32	-102.13
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)C1	REAL300013430207	1	31	-2.0	-100.81	308.53	5.36	-95.45
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)C1	REAL300013430208	1	34	-2.0	-101.41	317.60	7.16	-94.25
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)C1	REAL300013430209	1	34	-2.0	-101.71	318.74	7.21	-94.50
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)C1	REAL300013430210	1	31	-2.0	-100.81	308.53	5.36	-95.45
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)C1	REAL300013430211	1	31	-2.0	-95.51	306.73	4.99	-90.52
CCC(CNC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300013430212	1	33	-2.0	-111.75	322.45	5.47	-106.28
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)C1	REAL300013430213	1	37	-2.0	-108.69	335.45	8.33	-100.36
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(Br)C=CC=C2S1	REAL300013430214	1	37	-2.0	-105.79	333.49	7.74	-98.05
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)=C1	REAL300013430215	0	31	-2.0	-100.22	315.84	7.11	-93.11
O=C([O-])C12CC(NC(=O)[N-]C3=NC4=C(Br)C=CC=C4S3)(C1)C2	REAL300013430216	1	32	-2.0	-97.52	316.58	5.17	-92.35
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CC1	REAL300013430217	1	37	-2.0	-101.84	337.35	6.59	-95.25
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CC1	REAL300013430218	1	37	-2.0	-99.71	337.87	8.28	-91.43
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)C1	REAL300013430219	1	37	-2.0	-101.10	343.84	6.58	-94.52
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)C1	REAL300013430220	1	37	-2.0	-96.54	341.77	6.16	-90.38
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=C(Br)C=CC=C2S1	REAL300013430221	1	35	-2.0	-123.06	326.90	7.41	-115.65
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC3=C(Br)C=CC=C3S1)C2	REAL300013430222	1	32	-2.0	-100.61	318.00	5.66	-94.95
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)CC1	REAL300013430223	1	31	-2.0	-107.45	307.02	5.32	-102.13
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(Br)C=CC=C3S2)C1	REAL300013430224	1	31	-2.0	-105.36	305.33	6.49	-98.87
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC3=C(Br)C=CC=C3S1)C2	REAL300013430225	1	32	-2.0	-103.06	319.67	6.10	-96.96
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(Br)C=CC=C2S1	REAL300013430226	1	33	-2.0	-101.92	323.20	5.80	-96.12
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])CC1)=N2	REAL300013430375	1	53	-2.0	-104.68	399.54	9.69	-94.99
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2	REAL300013430376	1	55	-2.0	-98.53	408.66	7.78	-90.75
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCOC(C(=O)[O-])C1)=N2	REAL300013430377	1	51	-2.0	-108.48	391.17	8.08	-100.40
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)CCC(=O)[O-])=N2	REAL300013430378	1	49	-2.0	-109.97	380.36	8.71	-101.26
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1CCC(C(=O)[O-])CC1)=N2	REAL300013430379	1	56	-2.0	-103.14	422.51	8.64	-94.50
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCCC(=O)[O-])=N2	REAL300013430380	1	52	-2.0	-101.93	403.61	7.62	-94.31
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCC(=O)[O-])=N2	REAL300013430381	1	46	-2.0	-106.89	360.62	6.05	-100.84
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCCCC(=O)[O-])=N2	REAL300013430382	1	55	-2.0	-99.10	425.11	8.40	-90.70
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2	REAL300013430383	1	50	-2.0	-104.59	389.12	4.39	-100.20
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2	REAL300013430384	1	52	-2.0	-108.06	395.47	7.51	-100.55
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])C1)=N2	REAL300013430385	1	53	-2.0	-116.98	402.10	9.10	-107.88
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N2	REAL300013430386	1	52	-2.0	-112.37	394.68	9.26	-103.11
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(C)CC(C(=O)[O-])C1)=N2	REAL300013430387	1	56	-2.0	-109.18	419.18	10.19	-98.99
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)=N2	REAL300013430388	1	56	-2.0	-104.91	411.46	9.89	-95.02
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCC(=O)[O-])=N2	REAL300013430389	1	49	-2.0	-100.80	382.12	6.84	-93.96
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)C(C(=O)[O-])C1)=N2	REAL300013430390	1	56	-2.0	-110.63	414.24	10.06	-100.57
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2	REAL300013430391	1	55	-2.0	-100.61	415.40	7.72	-92.89
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N2	REAL300013430392	1	58	-2.0	-116.07	427.71	8.52	-107.55
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(CC(=O)[O-])CCC1)=N2	REAL300013430393	1	53	-2.0	-118.72	402.06	8.28	-110.44
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(C)C(=O)[O-])=N2	REAL300013430394	1	49	-2.0	-107.53	379.16	6.80	-100.73
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N2	REAL300013430395	1	55	-2.0	-115.05	417.90	8.00	-107.05
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)=N2	REAL300013430396	1	53	-2.0	-99.79	403.51	8.04	-91.75
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCCC1)=N2	REAL300013430397	1	56	-2.0	-116.55	420.55	8.89	-107.66
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])C(C)C1)=N2	REAL300013430398	1	56	-2.0	-102.05	411.47	10.37	-91.68
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCC1)=N2	REAL300013430399	1	53	-2.0	-114.75	402.61	8.19	-106.56
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(CC(=O)[O-])C1CC1)=N2	REAL300013430400	1	56	-2.0	-114.52	427.63	8.84	-105.68
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)=N2	REAL300013430401	1	56	-2.0	-104.91	411.46	9.89	-95.02
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CC1)=N2	REAL300013430402	1	50	-2.0	-114.01	387.77	7.78	-106.23
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)=N2	REAL300013430403	1	50	-2.0	-102.14	387.19	7.40	-94.74
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300013430404	1	53	-2.0	-110.22	398.32	9.62	-100.60
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H](C(=O)[O-])C1)=N2	REAL300013430405	1	53	-2.0	-110.39	399.50	9.67	-100.72
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1CC(C(=O)[O-])C1)=N2	REAL300013430406	1	50	-2.0	-102.18	387.22	7.40	-94.78
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)=N2	REAL300013430407	1	50	-2.0	-101.46	387.11	7.45	-94.01
CCC(CNC(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1)C(=O)[O-]	REAL300013430408	1	52	-2.0	-113.61	401.12	7.51	-106.10
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N2	REAL300013430409	1	58	-2.0	-99.75	446.61	9.18	-90.57
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)CCCC(=O)[O-])=N2	REAL300013430410	1	52	-2.0	-110.77	401.86	9.51	-101.26
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC(C)(C(=O)[O-])C1)=N2	REAL300013430411	1	56	-2.0	-109.69	413.81	10.36	-99.33
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N(CCOC)CCC(=O)[O-])=N2	REAL300013430412	1	56	-2.0	-111.99	433.54	8.87	-103.12
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(C(=O)[O-])CCC1C)=N2	REAL300013430413	1	56	-2.0	-109.75	414.23	10.20	-99.55
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)(C(=O)[O-])C1)=N2	REAL300013430414	1	54	-2.0	-107.84	408.46	7.19	-100.65
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1=CN(CC(=O)[O-])C=N1)=N2	REAL300013430415	0	50	-2.0	-107.86	396.56	9.56	-98.30
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC13CC(C(=O)[O-])(C1)C3)=N2	REAL300013430416	1	51	-2.0	-104.86	397.33	7.63	-97.23
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)=N2	REAL300013430417	1	56	-2.0	-106.23	416.76	9.00	-97.23
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(CC(=O)[O-])CC1)=N2	REAL300013430418	1	56	-2.0	-101.44	416.54	10.30	-91.14
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300013430419	1	56	-2.0	-102.52	422.50	8.62	-93.90
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC1CCCC(C(=O)[O-])C1)=N2	REAL300013430420	1	56	-2.0	-102.22	417.58	9.03	-93.19
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCOC1)=N2	REAL300013430421	1	54	-2.0	-111.99	409.23	6.17	-105.82
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1C3CCC1C(C(=O)[O-])C3)=N2	REAL300013430422	1	54	-2.0	-104.80	403.10	9.79	-95.01
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300013430423	1	51	-2.0	-106.20	398.74	8.12	-98.08
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CC1)=N2	REAL300013430424	1	50	-2.0	-114.01	387.77	7.78	-106.23
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCOC(C)(C(=O)[O-])C1)=N2	REAL300013430425	1	54	-2.0	-107.97	406.68	8.88	-99.09
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])C1)=N2	REAL300013430426	1	50	-2.0	-106.06	384.34	8.54	-97.52
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300013430427	1	51	-2.0	-104.08	398.33	8.14	-95.94
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N2	REAL300013430428	1	52	-2.0	-103.50	401.87	7.84	-95.66
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(Cl)=CC=C2Cl)S1	REAL300013431064	1	37	-2.0	-107.07	362.18	8.92	-98.15
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC(Cl)=CC=C2Cl)S1	REAL300013431065	1	34	-2.0	-103.99	342.43	6.26	-97.73
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC(Cl)=CC=C2Cl)S1	REAL300013431066	1	37	-2.0	-97.89	363.93	7.05	-90.84
CC(CNC(=O)[N-]C1=NC=C(CC2=CC(Cl)=CC=C2Cl)S1)C(=O)[O-]	REAL300013431067	1	37	-2.0	-104.63	360.98	7.01	-97.62
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013431068	1	41	-2.0	-104.70	361.19	9.26	-95.44
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)=C1	REAL300013431069	0	41	-2.0	-101.33	377.86	9.11	-92.22
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C=C1	REAL300013431070	1	41	-2.0	-98.86	381.52	8.50	-90.36
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431071	1	43	-2.0	-98.90	370.30	7.32	-91.58
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCO1	REAL300013431072	1	39	-2.0	-108.03	352.80	7.62	-100.41
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431073	1	37	-2.0	-109.32	342.00	8.25	-101.07
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013431074	1	44	-2.0	-102.86	384.16	8.16	-94.70
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431075	1	40	-2.0	-101.91	365.26	7.16	-94.75
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)=CC=C1	REAL300013431076	1	41	-2.0	-106.77	381.53	8.49	-98.28
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431077	1	34	-2.0	-106.41	322.27	5.59	-100.82
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431078	1	43	-2.0	-99.29	386.76	7.94	-91.35
CC(O)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013431079	1	38	-2.0	-104.20	350.77	3.94	-100.26
CC(C)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013431080	1	40	-2.0	-107.50	357.12	7.06	-100.44
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)=C1	REAL300013431081	0	44	-2.0	-97.93	399.26	9.91	-88.02
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431082	1	41	-2.0	-104.76	365.17	8.67	-96.09
CC(CN(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013431083	1	40	-2.0	-112.10	357.14	8.83	-103.27
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431084	1	44	-2.0	-109.62	380.80	9.74	-99.88
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013431085	1	44	-2.0	-105.07	373.11	9.43	-95.64
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431086	1	37	-2.0	-100.81	343.76	6.38	-94.43
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1C(=O)[O-]	REAL300013431087	1	44	-2.0	-109.83	375.89	9.61	-100.22
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCOCC1	REAL300013431088	1	45	-2.0	-113.46	383.85	6.54	-106.92
CC(C)(CCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013431089	1	43	-2.0	-100.79	376.47	7.26	-93.53
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013431090	1	46	-2.0	-114.80	386.70	8.40	-106.40
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCC1	REAL300013431091	1	41	-2.0	-117.90	363.71	7.82	-110.08
CC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013431092	1	37	-2.0	-106.93	340.80	6.34	-100.59
CC(C)C(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013431093	1	43	-2.0	-114.81	379.55	7.53	-107.28
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431094	1	41	-2.0	-100.59	364.34	7.63	-92.96
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013431095	1	47	-2.0	-101.42	400.50	10.64	-90.78
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC=C(CC3=CC=CC=C3F)S1)C2	REAL300013431096	1	43	-2.0	-105.91	376.04	7.23	-98.68
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCCC1	REAL300013431097	1	44	-2.0	-115.07	380.45	8.17	-106.90
CC1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCC1C(=O)[O-]	REAL300013431098	1	44	-2.0	-105.40	379.52	9.75	-95.65
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCC1	REAL300013431099	1	41	-2.0	-114.35	364.24	7.73	-106.62
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C1CC1	REAL300013431100	1	44	-2.0	-113.88	389.27	8.37	-105.51
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013431101	1	44	-2.0	-105.07	373.11	9.43	-95.64
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)CC(=O)[O-]	REAL300013431102	1	49	-2.0	-116.05	410.28	8.80	-107.25
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013431103	1	38	-2.0	-113.72	349.41	7.32	-106.40
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431104	1	41	-2.0	-125.90	375.16	8.59	-117.31
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431105	1	45	-2.0	-118.55	397.33	7.68	-110.87
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431106	1	38	-2.0	-102.59	347.81	6.89	-95.70
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431108	1	41	-2.0	-111.21	359.14	9.13	-102.08
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431109	1	41	-2.0	-111.44	360.13	9.17	-102.27
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431110	1	38	-2.0	-101.51	348.71	6.99	-94.52
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431111	1	38	-2.0	-102.15	348.10	6.95	-95.20
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)=CC=C1	REAL300013431112	1	41	-2.0	-106.77	381.53	8.49	-98.28
CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013431113	1	40	-2.0	-113.48	362.76	7.05	-106.43
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431114	1	47	-2.0	-122.23	393.86	10.56	-111.67
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431115	1	49	-2.0	-98.34	429.76	9.51	-88.83
O=C([O-])CCCCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431116	1	46	-2.0	-99.90	408.26	8.73	-91.17
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431117	1	40	-2.0	-110.52	363.50	9.05	-101.47
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431118	1	44	-2.0	-108.96	375.77	9.91	-99.05
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431119	1	44	-2.0	-112.62	395.24	8.42	-104.20
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431120	1	47	-2.0	-106.60	400.79	10.62	-95.98
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013431121	1	42	-2.0	-95.94	372.59	7.86	-88.08
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431122	1	44	-2.0	-110.61	377.09	9.81	-100.80
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431123	1	42	-2.0	-107.41	370.09	6.74	-100.67
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)=C1	REAL300013431124	0	38	-2.0	-107.41	358.23	9.11	-98.30
O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(CC4=CC=CC=C4F)S3)(C1)C2	REAL300013431125	1	39	-2.0	-104.40	358.98	7.17	-97.23
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013431126	1	44	-2.0	-105.89	377.58	8.50	-97.39
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013431127	1	47	-2.0	-99.83	403.92	8.89	-90.94
O=C([O-])CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013431128	1	44	-2.0	-101.87	378.19	9.87	-92.00
O=C([O-])COC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013431129	1	45	-2.0	-102.37	394.79	9.29	-93.08
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431130	1	44	-2.0	-102.56	384.15	8.16	-94.40
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431131	1	44	-2.0	-102.85	379.72	8.58	-94.27
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCCOC1	REAL300013431132	1	45	-2.0	-115.63	386.10	6.75	-108.88
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCOC1	REAL300013431133	1	42	-2.0	-111.84	370.91	5.72	-106.12
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431134	1	42	-2.0	-131.56	368.85	9.41	-122.15
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC=C(CC3=CC=CC=C3F)S1)C2	REAL300013431135	1	39	-2.0	-106.21	360.64	7.66	-98.55
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC1	REAL300013431136	1	38	-2.0	-113.72	349.41	7.32	-106.40
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CC12CCC2	REAL300013431137	1	45	-2.0	-106.55	388.00	9.77	-96.78
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCO1	REAL300013431138	1	42	-2.0	-107.38	368.33	8.42	-98.96
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431139	1	45	-2.0	-107.21	393.21	8.17	-99.04
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)C1	REAL300013431140	1	38	-2.0	-105.50	346.03	8.08	-97.42
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC=C(CC3=CC=CC=C3F)S1)C2	REAL300013431141	1	39	-2.0	-103.76	359.65	7.69	-96.07
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3F)S2)CCCCC1	REAL300013431142	1	47	-2.0	-122.07	387.92	9.57	-112.50
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300013431143	1	40	-2.0	-103.36	363.52	7.38	-95.98
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCCC(=O)[O-])S2)C(C(F)(F)F)=C1	REAL300013431144	1	38	-2.0	-101.19	366.76	6.60	-94.59
CC1=CC(CC2=CN=C([N-]C(=O)NCCC(=O)[O-])S2)=CC=C1Br	REAL300013431145	1	37	-2.0	-103.76	356.30	6.74	-97.02
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013431146	1	44	-2.0	-103.43	376.33	9.58	-93.85
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013431147	0	44	-2.0	-99.91	393.02	9.45	-90.46
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013431148	1	44	-2.0	-97.30	396.71	8.84	-88.46
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013431149	1	46	-2.0	-97.21	385.49	7.66	-89.55
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013431150	1	42	-2.0	-107.04	367.87	7.95	-99.09
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)CCC(=O)[O-])=N1	REAL300013431151	1	40	-2.0	-108.19	357.20	8.59	-99.60
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013431152	1	47	-2.0	-101.79	402.67	8.64	-93.15
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013431153	1	43	-2.0	-100.69	380.45	7.51	-93.18
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013431154	1	44	-2.0	-105.69	400.04	8.96	-96.73
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013431155	1	37	-2.0	-105.41	337.45	5.93	-99.48
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013431156	1	46	-2.0	-97.85	401.95	8.29	-89.56
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013431157	1	41	-2.0	-103.16	365.96	4.28	-98.88
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013431158	1	43	-2.0	-106.56	372.31	7.40	-99.16
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013431159	1	44	-2.0	-105.00	380.93	8.91	-96.09
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013431160	1	43	-2.0	-111.00	372.33	9.17	-101.83
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013431161	1	47	-2.0	-107.39	396.64	10.10	-97.29
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013431162	1	47	-2.0	-103.18	388.23	9.78	-93.40
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013431163	1	40	-2.0	-99.48	358.95	6.72	-92.76
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013431164	1	47	-2.0	-109.92	387.03	9.78	-100.14
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013431165	1	46	-2.0	-99.35	391.66	7.60	-91.75
CCC(CC)(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013431166	1	49	-2.0	-113.42	401.90	8.74	-104.68
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013431167	1	44	-2.0	-116.69	378.87	8.16	-108.53
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013431168	1	40	-2.0	-105.94	356.82	6.72	-99.22
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013431169	1	46	-2.0	-111.61	389.48	7.98	-103.63
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013431170	1	44	-2.0	-98.93	380.34	8.01	-90.92
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013431171	1	47	-2.0	-114.74	397.38	8.77	-105.97
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013431172	1	47	-2.0	-100.39	388.31	10.27	-90.12
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013431173	1	44	-2.0	-112.84	379.40	8.08	-104.76
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013431174	1	47	-2.0	-112.60	404.43	8.72	-103.88
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013431175	1	47	-2.0	-103.18	388.23	9.78	-93.40
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013431176	1	41	-2.0	-112.10	364.57	7.66	-104.44
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013431177	1	44	-2.0	-125.01	390.29	8.95	-116.06
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013431178	1	41	-2.0	-100.70	364.02	7.28	-93.42
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013431179	1	44	-2.0	-108.48	375.13	9.51	-98.97
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013431180	1	44	-2.0	-108.90	379.67	9.68	-99.22
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013431181	1	41	-2.0	-100.91	367.36	7.41	-93.50
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013431182	1	41	-2.0	-99.98	364.17	7.32	-92.66
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013431183	1	44	-2.0	-105.69	400.04	8.96	-96.73
CCC(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013431184	1	43	-2.0	-110.64	372.94	7.50	-103.14
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013431185	1	49	-2.0	-98.56	423.45	9.07	-89.49
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N(C)CCCC(=O)[O-])=N1	REAL300013431186	1	43	-2.0	-108.77	378.70	9.40	-99.37
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013431187	1	47	-2.0	-108.01	390.95	10.26	-97.75
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2)S1	REAL300013431188	1	47	-2.0	-109.99	410.38	8.76	-101.23
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013431189	1	47	-2.0	-107.83	391.04	10.09	-97.74
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013431190	1	45	-2.0	-106.32	385.22	7.09	-99.23
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013431191	0	41	-2.0	-106.10	373.40	9.45	-96.65
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013431192	1	42	-2.0	-103.39	374.09	7.51	-95.88
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013431193	1	47	-2.0	-104.91	396.93	9.02	-95.89
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013431194	1	47	-2.0	-100.01	393.33	10.20	-89.81
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013431195	1	47	-2.0	-101.22	399.32	8.50	-92.72
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013431196	1	47	-2.0	-101.30	402.66	8.63	-92.67
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013431197	1	45	-2.0	-109.94	386.10	6.06	-103.88
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013431198	1	45	-2.0	-130.26	384.39	9.76	-120.50
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013431199	1	42	-2.0	-104.91	375.58	8.01	-96.90
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013431200	1	41	-2.0	-112.10	364.57	7.66	-104.44
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013431201	1	45	-2.0	-106.56	383.51	8.76	-97.80
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013431202	1	41	-2.0	-104.93	360.81	8.42	-96.51
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013431203	1	42	-2.0	-102.71	378.49	8.15	-94.56
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013431204	1	43	-2.0	-102.00	378.71	7.72	-94.28
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013431205	1	44	-2.0	-102.24	384.90	10.05	-92.19
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013431206	1	46	-2.0	-96.07	394.01	8.13	-87.94
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013431207	1	42	-2.0	-106.11	376.47	8.43	-97.68
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)CCC(=O)[O-])S1	REAL300013431208	1	40	-2.0	-107.35	365.71	9.06	-98.29
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013431209	1	43	-2.0	-99.67	388.97	7.98	-91.69
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCCC(=O)[O-])S1	REAL300013431210	1	37	-2.0	-104.46	345.97	6.40	-98.06
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013431211	1	46	-2.0	-96.84	410.47	8.76	-88.08
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013431212	1	41	-2.0	-102.13	374.49	4.76	-97.37
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013431213	1	43	-2.0	-105.64	380.82	7.86	-97.78
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013431214	1	44	-2.0	-104.11	389.44	9.38	-94.73
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013431215	1	43	-2.0	-110.17	380.85	9.64	-100.53
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCCCC(=O)[O-])S1	REAL300013431216	1	40	-2.0	-98.34	367.47	7.19	-91.15
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013431217	1	46	-2.0	-98.16	400.17	8.07	-90.09
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013431218	1	44	-2.0	-115.49	387.41	8.63	-106.86
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCC(C)C(=O)[O-])S1	REAL300013431219	1	40	-2.0	-105.12	364.52	7.16	-97.96
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013431220	1	46	-2.0	-112.14	403.27	8.34	-103.80
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013431221	1	44	-2.0	-97.56	390.30	8.56	-89.00
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013431222	1	44	-2.0	-111.61	387.95	8.55	-103.06
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013431223	1	41	-2.0	-110.86	373.12	8.14	-102.72
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013431224	1	41	-2.0	-99.57	372.52	7.76	-91.81
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013431225	1	44	-2.0	-107.64	383.68	9.99	-97.65
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013431226	1	44	-2.0	-107.94	384.79	10.04	-97.90
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013431227	1	41	-2.0	-99.15	372.42	7.80	-91.35
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013431228	1	41	-2.0	-98.84	374.25	7.90	-90.94
CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2C)S1)C(=O)[O-]	REAL300013431229	1	43	-2.0	-109.34	381.46	7.98	-101.36
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N(C)CCCC(=O)[O-])S1	REAL300013431230	1	43	-2.0	-107.96	387.21	9.87	-98.09
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013431231	1	42	-2.0	-102.57	382.68	7.98	-94.59
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013431232	1	42	-2.0	-103.44	385.87	8.57	-94.87
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013431233	1	41	-2.0	-110.86	373.12	8.14	-102.72
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013431234	1	41	-2.0	-103.66	369.72	8.90	-94.76
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013431235	1	42	-2.0	-101.45	383.35	8.50	-92.95
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013431236	1	43	-2.0	-100.91	387.24	8.19	-92.72
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013431237	1	41	-2.0	-101.82	362.15	9.29	-92.53
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)=C1	REAL300013431238	0	41	-2.0	-98.43	378.82	9.14	-89.29
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C=C1	REAL300013431239	1	41	-2.0	-95.78	382.48	8.53	-87.25
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431240	1	43	-2.0	-95.67	371.25	7.36	-88.31
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCO1	REAL300013431241	1	39	-2.0	-105.51	353.72	7.65	-97.86
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431242	1	37	-2.0	-106.60	342.96	8.29	-98.31
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013431243	1	44	-2.0	-100.22	385.12	8.19	-92.03
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431244	1	40	-2.0	-99.22	366.22	7.20	-92.02
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)=CC=C1	REAL300013431245	1	41	-2.0	-103.98	382.49	8.52	-95.46
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431246	1	34	-2.0	-103.79	323.22	5.62	-98.17
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431247	1	43	-2.0	-96.42	387.72	7.98	-88.44
CC(O)(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013431248	1	38	-2.0	-101.61	351.30	3.91	-97.70
CC(C)(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013431249	1	40	-2.0	-104.98	358.07	7.09	-97.89
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)=C1	REAL300013431250	0	44	-2.0	-95.01	400.21	9.95	-85.06
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431251	1	41	-2.0	-102.08	366.13	8.70	-93.38
CC(CN(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013431252	1	40	-2.0	-102.91	357.05	8.60	-94.31
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431253	1	44	-2.0	-105.07	377.76	10.06	-95.01
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013431254	1	44	-2.0	-101.58	374.07	9.48	-92.10
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431255	1	37	-2.0	-97.89	344.72	6.42	-91.47
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1C(=O)[O-]	REAL300013431256	1	44	-2.0	-108.69	380.44	9.76	-98.93
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCOCC1	REAL300013431257	1	45	-2.0	-110.04	384.81	6.58	-103.46
CC(C)(CCNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013431258	1	43	-2.0	-97.81	378.01	7.30	-90.51
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013431259	1	46	-2.0	-110.85	385.61	8.26	-102.59
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCC1	REAL300013431260	1	41	-2.0	-114.72	364.66	7.86	-106.86
CC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013431261	1	37	-2.0	-104.47	341.75	6.38	-98.09
CC(C)C(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013431262	1	43	-2.0	-110.27	374.25	7.71	-102.56
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431263	1	41	-2.0	-97.28	366.14	7.70	-89.58
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013431264	1	47	-2.0	-98.32	401.45	10.68	-87.64
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC=C(CC3=CC=C(F)C=C3)S1)C2	REAL300013431265	1	43	-2.0	-102.16	377.84	7.30	-94.86
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCCC1	REAL300013431266	1	44	-2.0	-111.72	381.41	8.20	-103.52
CC1CN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCC1C(=O)[O-]	REAL300013431267	1	44	-2.0	-102.51	380.48	9.78	-92.73
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCC1	REAL300013431268	1	41	-2.0	-110.89	365.20	7.77	-103.12
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C1CC1	REAL300013431269	1	44	-2.0	-110.90	390.23	8.41	-102.49
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013431270	1	44	-2.0	-101.58	374.07	9.48	-92.10
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)CC(=O)[O-]	REAL300013431271	1	49	-2.0	-113.79	411.23	8.80	-104.99
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013431272	1	38	-2.0	-110.11	350.36	7.36	-102.75
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431273	1	41	-2.0	-123.00	376.09	8.64	-114.36
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431274	1	45	-2.0	-115.20	398.29	7.72	-107.48
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431275	1	38	-2.0	-99.33	350.20	6.97	-92.36
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431277	1	41	-2.0	-106.99	360.94	9.21	-97.78
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431278	1	41	-2.0	-107.28	362.08	9.25	-98.03
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431279	1	38	-2.0	-99.34	350.18	6.97	-92.37
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431280	1	38	-2.0	-98.67	349.69	7.03	-91.64
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)=CC=C1	REAL300013431281	1	41	-2.0	-103.98	382.49	8.52	-95.46
CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013431282	1	40	-2.0	-108.72	358.71	7.19	-101.53
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431283	1	47	-2.0	-119.75	395.42	10.63	-109.12
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431284	1	49	-2.0	-95.64	430.71	9.54	-86.10
O=C([O-])CCCCCCNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431285	1	46	-2.0	-97.24	409.21	8.76	-88.48
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431286	1	40	-2.0	-107.36	364.46	9.09	-98.27
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431287	1	44	-2.0	-106.50	376.72	9.95	-96.55
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431288	1	44	-2.0	-107.88	396.11	8.45	-99.43
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431289	1	47	-2.0	-104.18	401.75	10.65	-93.53
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013431290	1	42	-2.0	-92.72	373.54	7.90	-84.82
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431291	1	44	-2.0	-105.86	376.84	9.79	-96.07
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431292	1	42	-2.0	-104.73	371.04	6.79	-97.94
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)=C1	REAL300013431293	0	38	-2.0	-104.70	359.19	9.13	-95.57
O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(CC4=CC=C(F)C=C4)S3)(C1)C2	REAL300013431294	1	39	-2.0	-102.01	359.93	7.21	-94.80
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013431295	1	44	-2.0	-103.05	380.69	8.63	-94.42
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013431296	1	47	-2.0	-96.26	403.55	8.90	-87.36
O=C([O-])CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013431297	1	44	-2.0	-98.28	379.14	9.90	-88.38
O=C([O-])COC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013431298	1	45	-2.0	-99.48	395.75	9.32	-90.16
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431299	1	44	-2.0	-99.68	385.11	8.19	-91.49
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431300	1	44	-2.0	-99.33	380.69	8.62	-90.71
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCCOC1	REAL300013431301	1	45	-2.0	-112.22	387.05	6.78	-105.44
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCOC1	REAL300013431302	1	42	-2.0	-108.08	371.86	5.75	-102.33
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431303	1	42	-2.0	-128.01	369.81	9.44	-118.57
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC=C(CC3=CC=C(F)C=C3)S1)C2	REAL300013431304	1	39	-2.0	-103.21	361.34	7.70	-95.51
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013431305	1	38	-2.0	-110.11	350.36	7.36	-102.75
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC12CCC2	REAL300013431306	1	45	-2.0	-102.92	388.90	9.82	-93.10
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCO1	REAL300013431307	1	42	-2.0	-105.02	369.28	8.46	-96.56
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431308	1	45	-2.0	-104.77	394.16	8.20	-96.57
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300013431309	1	38	-2.0	-102.88	346.98	8.11	-94.77
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC=C(CC3=CC=C(F)C=C3)S1)C2	REAL300013431310	1	39	-2.0	-101.09	360.91	7.71	-93.38
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCCCC1	REAL300013431311	1	47	-2.0	-118.79	388.88	9.61	-109.18
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300013431312	1	40	-2.0	-100.39	364.47	7.41	-92.98
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013431718	1	46	-2.0	-100.90	385.71	7.69	-93.21
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013431719	0	46	-2.0	-99.07	403.07	7.49	-91.58
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013431720	1	46	-2.0	-97.29	406.74	6.89	-90.40
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013431721	1	48	-2.0	-95.28	394.85	5.76	-89.52
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013431722	1	44	-2.0	-104.48	377.98	6.02	-98.46
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013431723	1	49	-2.0	-98.86	408.69	6.62	-92.24
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013431724	1	45	-2.0	-99.32	390.48	5.55	-93.77
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013431725	1	46	-2.0	-104.16	406.75	6.88	-97.28
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013431726	1	39	-2.0	-103.01	347.48	3.98	-99.03
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013431727	1	48	-2.0	-97.32	411.98	6.33	-90.99
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013431728	1	43	-2.0	-101.06	375.58	2.27	-98.79
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013431729	1	45	-2.0	-104.12	382.92	5.43	-98.69
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013431730	1	46	-2.0	-113.18	388.97	7.04	-106.14
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013431731	1	45	-2.0	-103.02	381.31	6.96	-96.06
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013431732	1	49	-2.0	-106.06	401.32	8.47	-97.59
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013431733	1	49	-2.0	-100.41	397.67	7.87	-92.54
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013431734	1	42	-2.0	-98.50	368.98	4.77	-93.73
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013431735	1	49	-2.0	-105.89	404.04	8.17	-97.72
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013431736	1	50	-2.0	-108.76	408.39	5.00	-103.76
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013431737	1	48	-2.0	-98.59	401.68	5.65	-92.94
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N1	REAL300013431738	1	51	-2.0	-112.28	409.87	6.62	-105.66
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013431739	1	46	-2.0	-114.02	388.24	6.26	-107.76
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013431740	1	42	-2.0	-101.58	366.19	4.82	-96.76
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013431741	1	48	-2.0	-111.34	404.77	5.93	-105.41
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013431742	1	46	-2.0	-96.45	389.74	6.12	-90.33
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013431743	1	52	-2.0	-97.93	425.02	9.08	-88.85
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013431744	1	48	-2.0	-99.79	401.45	5.71	-94.08
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013431745	1	49	-2.0	-111.36	406.76	6.88	-104.48
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013431746	1	49	-2.0	-102.68	404.74	8.15	-94.53
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013431747	1	46	-2.0	-109.81	388.80	6.19	-103.62
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013431748	1	49	-2.0	-110.59	414.49	6.76	-103.83
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013431749	1	49	-2.0	-100.41	397.67	7.87	-92.54
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013431750	1	54	-2.0	-101.44	440.90	7.38	-94.06
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013431751	1	43	-2.0	-109.29	373.93	5.77	-103.52
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013431752	1	46	-2.0	-121.72	400.35	7.00	-114.72
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)=N1	REAL300013431753	1	50	-2.0	-115.79	422.55	6.08	-109.71
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013431754	1	43	-2.0	-97.90	373.42	5.39	-92.51
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013431756	1	46	-2.0	-104.03	384.51	7.62	-96.41
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013431757	1	46	-2.0	-105.87	386.34	7.62	-98.25
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013431758	1	43	-2.0	-99.80	374.45	5.34	-94.46
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013431759	1	43	-2.0	-97.34	373.28	5.45	-91.89
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013431760	1	46	-2.0	-104.16	406.75	6.88	-97.28
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC(CC)C(=O)[O-])=N1	REAL300013431761	1	45	-2.0	-111.15	387.98	5.44	-105.71
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013431762	1	52	-2.0	-117.88	418.42	9.00	-108.88
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013431763	1	54	-2.0	-96.34	454.97	7.89	-88.45
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013431764	1	51	-2.0	-97.68	433.48	7.11	-90.57
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013431765	1	49	-2.0	-103.85	400.32	8.36	-95.49
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013431766	1	52	-2.0	-103.73	426.00	9.01	-94.72
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013431767	1	47	-2.0	-92.11	397.15	6.31	-85.80
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013431768	1	49	-2.0	-106.55	400.44	8.20	-98.35
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013431769	1	47	-2.0	-102.23	394.64	5.21	-97.02
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013431770	0	43	-2.0	-102.47	382.79	7.55	-94.92
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013431771	1	44	-2.0	-101.60	384.19	5.58	-96.02
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013431772	1	49	-2.0	-102.77	404.29	7.04	-95.73
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013431773	1	52	-2.0	-97.33	427.80	7.28	-90.05
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013431774	1	49	-2.0	-98.09	402.71	8.30	-89.79
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013431775	1	50	-2.0	-99.06	419.31	7.73	-91.33
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013431776	1	49	-2.0	-98.56	408.71	6.62	-91.94
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013431777	1	49	-2.0	-98.59	403.74	7.02	-91.57
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013431778	1	50	-2.0	-112.13	411.31	5.14	-106.99
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013431779	1	47	-2.0	-109.93	396.12	4.10	-105.83
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013431780	1	47	-2.0	-125.09	393.41	7.86	-117.23
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013431781	1	44	-2.0	-102.43	384.95	6.11	-96.32
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013431782	1	43	-2.0	-109.29	373.93	5.77	-103.52
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013431783	1	50	-2.0	-104.52	413.16	8.17	-96.35
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013431784	1	47	-2.0	-103.99	393.55	6.82	-97.17
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013431785	1	50	-2.0	-102.00	417.76	6.62	-95.38
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013431786	1	43	-2.0	-100.73	370.18	6.52	-94.21
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013431787	1	44	-2.0	-99.22	384.46	6.14	-93.08
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013431788	1	52	-2.0	-118.38	412.45	8.01	-110.37
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013431789	1	45	-2.0	-100.98	388.74	5.78	-95.20
CC(C)C1=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)N=CS1	REAL300013432497	1	34	-2.0	-107.37	312.11	6.72	-100.65
COC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300013432593	0	42	-2.0	-97.99	378.90	7.24	-90.75
COC1=CC=C(SC2=NSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2)C=C1	REAL300013432594	0	44	-2.0	-92.57	388.01	5.30	-87.27
COC1=CC=C(SC2=NSC([N-]C(=O)N3CCOC(C(=O)[O-])C3)=N2)C=C1	REAL300013432595	0	40	-2.0	-99.13	370.39	5.59	-93.54
COC1=CC=C(SC2=NSC([N-]C(=O)NCCCCC(=O)[O-])=N2)C=C1	REAL300013432596	0	41	-2.0	-94.82	382.97	5.15	-89.67
COC1=CC=C(SC2=NSC([N-]C(=O)NCCC(=O)[O-])=N2)C=C1	REAL300013432597	0	35	-2.0	-97.48	339.97	3.57	-93.91
COC1=CC=C(SC2=NSC([N-]C(=O)NCCCCCC(=O)[O-])=N2)C=C1	REAL300013432598	0	44	-2.0	-92.98	404.47	5.93	-87.05
COC1=CC=C(SC2=NSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2)C=C1	REAL300013432599	0	39	-2.0	-95.59	368.07	1.86	-93.73
COC1=CC=C(SC2=NSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2)C=C1	REAL300013432600	0	41	-2.0	-98.70	375.41	5.03	-93.67
COC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300013432601	0	42	-2.0	-97.16	383.45	6.54	-90.62
COC1=CC=C(SC2=NSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N2)C=C1	REAL300013432602	0	41	-2.0	-103.14	374.86	6.82	-96.32
COC1=CC=C(SC2=NSC([N-]C(=O)NCCCC(=O)[O-])=N2)C=C1	REAL300013432603	0	38	-2.0	-93.60	361.47	4.37	-89.23
COC1=CC=C(SC2=NSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2)C=C1	REAL300013432604	0	44	-2.0	-93.67	394.18	5.23	-88.44
COC1=CC=C(SC2=NSC([N-]C(=O)NC3(CC(=O)[O-])CCC3)=N2)C=C1	REAL300013432605	0	42	-2.0	-107.44	381.05	5.81	-101.63
COC1=CC=C(SC2=NSC([N-]C(=O)NCC(C)C(=O)[O-])=N2)C=C1	REAL300013432606	0	38	-2.0	-97.97	359.33	4.36	-93.61
COC1=CC=C(SC2=NSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N2)C=C1	REAL300013432607	0	44	-2.0	-105.28	397.26	5.51	-99.77
COC1=CC=C(SC2=NSC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432608	0	42	-2.0	-93.72	382.88	5.66	-88.06
COC1=CC=C(SC2=NSC([N-]C(=O)NCC3(C(=O)[O-])CCC3)=N2)C=C1	REAL300013432609	0	42	-2.0	-104.91	382.85	5.57	-99.34
COC1=CC=C(SC2=NSC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)C=C1	REAL300013432610	0	39	-2.0	-104.97	367.11	5.31	-99.66
COC1=CC=C(SC2=NSC([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432611	0	39	-2.0	-95.15	366.60	4.93	-90.22
COC1=CC=C(SC2=NSC([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432612	0	42	-2.0	-100.48	378.39	7.19	-93.29
COC1=CC=C(SC2=NSC([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432613	0	42	-2.0	-100.70	378.84	7.20	-93.50
COC1=CC=C(SC2=NSC([N-]C(=O)NC3CC(C(=O)[O-])C3)=N2)C=C1	REAL300013432614	0	39	-2.0	-95.06	366.94	4.93	-90.13
COC1=CC=C(SC2=NSC([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432615	0	39	-2.0	-94.33	366.76	4.98	-89.35
CCC(CNC(=O)[N-]C1=NC(SC2=CC=C(OC)C=C2)=NS1)C(=O)[O-]	REAL300013432616	0	41	-2.0	-104.30	380.47	5.03	-99.27
COC1=CC=C(SC2=NSC([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)=N2)C=C1	REAL300013432617	0	40	-2.0	-97.22	376.68	5.15	-92.07
COC1=CC=C(SC2=NSC([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)C=C1	REAL300013432618	0	40	-2.0	-98.93	378.35	5.65	-93.28
COC1=CC=C(SC2=NSC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)C=C1	REAL300013432619	0	39	-2.0	-104.97	367.11	5.31	-99.66
COC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C(=O)[O-])C3)=N2)C=C1	REAL300013432620	0	39	-2.0	-97.19	363.38	6.05	-91.14
COC1=CC=C(SC2=NSC([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)C=C1	REAL300013432621	0	40	-2.0	-96.52	377.35	5.68	-90.84
COC1=CC=C(SC2=NSC([N-]C(=O)NC(C)CCC(=O)[O-])=N2)C=C1	REAL300013432622	0	41	-2.0	-96.51	381.23	5.37	-91.14
COC(C)C1=NSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013432700	0	37	-2.0	-96.43	321.44	3.98	-92.45
COC(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013432701	0	37	-2.0	-92.93	338.11	3.83	-89.10
COC(C)C1=NSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013432702	0	37	-2.0	-91.95	341.77	3.22	-88.73
COC(C)C1=NSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013432703	0	39	-2.0	-91.39	330.55	2.04	-89.35
COC(C)C1=NSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013432704	0	35	-2.0	-98.27	313.05	2.34	-95.93
COC(C)C1=NSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013432705	0	40	-2.0	-95.31	344.42	2.90	-92.41
COC(C)C1=NSC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013432706	0	36	-2.0	-93.95	325.51	1.88	-92.07
COC(C)C1=NSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013432707	0	37	-2.0	-98.88	341.78	3.21	-95.67
COC(C)C1=NSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013432708	0	39	-2.0	-91.94	347.01	2.66	-89.28
COC(C)C1=NSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013432709	0	34	-2.0	-94.55	310.61	-1.39	-95.94
COC(C)C1=NSC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013432710	0	47	-2.0	-98.74	392.81	7.23	-91.51
COC(C)C1=NSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013432711	0	36	-2.0	-97.47	317.37	1.77	-95.70
COC(C)C1=NSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013432712	0	40	-2.0	-90.35	359.22	4.67	-85.68
COC(C)C1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013432713	0	37	-2.0	-94.99	325.42	3.39	-91.60
COC(C)C1=NSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013432714	0	36	-2.0	-102.43	317.45	3.55	-98.88
COC(C)C1=NSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013432715	0	40	-2.0	-100.43	336.41	4.73	-95.70
COC(C)C1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013432716	0	40	-2.0	-96.44	333.36	4.16	-92.28
COC(C)C1=NSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013432717	0	40	-2.0	-101.33	339.73	4.45	-96.88
COC(C)C1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013432718	0	41	-2.0	-102.65	344.10	1.26	-101.39
COC(C)C1=NSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013432719	0	39	-2.0	-92.52	337.30	1.99	-90.53
CCC(CC)(CNC(=O)[N-]C1=NC(C(C)OC)=NS1)C(=O)[O-]	REAL300013432720	0	42	-2.0	-103.95	346.95	3.12	-100.83
COC(C)C1=NSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013432721	0	37	-2.0	-110.01	324.55	2.51	-107.50
COC(C)C1=NSC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013432722	0	48	-2.0	-93.53	400.28	4.73	-88.80
COC(C)C1=NSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013432723	0	39	-2.0	-103.61	339.80	2.25	-101.36
COC(C)C1=NSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013432724	0	46	-2.0	-100.79	379.41	4.24	-96.55
COC(C)C1=NSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013432725	0	43	-2.0	-105.41	367.51	4.66	-100.75
COC(C)C1=NSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013432726	0	37	-2.0	-92.15	325.43	2.39	-89.76
COC(C)C1=NSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013432727	0	43	-2.0	-94.37	360.75	5.36	-89.01
COC(C)C1=NSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013432728	0	39	-2.0	-95.04	337.14	1.99	-93.05
COC(C)C1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013432729	0	40	-2.0	-104.99	342.47	3.15	-101.84
COC(C)C1=NSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013432730	0	40	-2.0	-96.91	339.78	4.47	-92.44
COC(C)C1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013432731	0	37	-2.0	-102.94	325.40	2.31	-100.63
COC(C)C1=NSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013432732	0	40	-2.0	-103.24	349.52	3.09	-100.15
COC(C)C1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013432733	0	40	-2.0	-96.44	333.36	4.16	-92.28
COC(C)C1=NSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013432734	0	45	-2.0	-105.11	370.51	3.53	-101.58
COC(C)C1=NSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013432735	0	34	-2.0	-102.89	309.66	2.04	-100.85
COC(C)C1=NSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013432736	0	37	-2.0	-114.73	335.38	3.33	-111.40
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C(C)OC)=NS2)C1	REAL300013432737	0	41	-2.0	-104.13	356.03	2.42	-101.71
COC(C)C1=NSC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013432738	0	34	-2.0	-93.67	309.09	1.67	-92.00
COC(C)C1=NSC([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)=N1	REAL300013432739	0	42	-2.0	-90.94	357.51	0.74	-90.20
COC(C)C1=NSC([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013432740	0	47	-2.0	-119.43	398.62	5.35	-114.08
COC(C)C1=NSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013432741	0	37	-2.0	-99.72	320.93	3.91	-95.81
COC(C)C1=NSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013432742	0	37	-2.0	-99.92	321.38	3.94	-95.98
COC(C)C1=NSC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013432743	0	34	-2.0	-93.84	309.48	1.67	-92.17
COC(C)C1=NSC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013432744	0	34	-2.0	-93.06	308.95	1.72	-91.34
COC(C)C1=NSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013432745	0	37	-2.0	-98.88	341.78	3.21	-95.67
CCC(CNC(=O)[N-]C1=NC(C(C)OC)=NS1)C(=O)[O-]	REAL300013432746	0	36	-2.0	-102.65	323.01	1.77	-100.88
COC(C)C1=NSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013432747	0	43	-2.0	-114.34	354.10	5.27	-109.07
COC(C)C1=NSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013432748	0	45	-2.0	-91.46	390.01	4.23	-87.23
COC(C)C1=NSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013432749	0	42	-2.0	-92.77	368.51	3.44	-89.33
COC(C)C1=NSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013432750	0	40	-2.0	-99.50	336.02	4.65	-94.85
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C(C)OC)=NS2)C1	REAL300013432751	0	44	-2.0	-102.39	367.10	4.44	-97.95
COC(C)C1=NSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013432752	0	43	-2.0	-98.73	361.08	5.34	-93.39
COC(C)C1=NSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013432753	0	41	-2.0	-118.68	353.59	6.48	-112.20
COC(C)C1=NSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013432754	0	38	-2.0	-88.00	332.84	2.58	-85.42
COC(C)C1=NSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013432755	0	40	-2.0	-101.30	337.34	4.53	-96.77
COC(C)C1=NSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013432756	0	44	-2.0	-114.75	382.85	6.32	-108.43
COC(C)C1=NSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013432757	0	38	-2.0	-98.02	330.34	1.46	-96.56
COC(C)C1=NSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013432758	0	41	-2.0	-94.37	359.97	4.21	-90.16
COC(C)C1=NSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013432759	0	44	-2.0	-126.08	370.08	3.42	-122.66
COC(C)C1=NSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013432760	0	34	-2.0	-98.29	318.48	3.84	-94.45
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C(C)OC)=NS2)CC1	REAL300013432761	0	44	-2.0	-99.21	365.55	3.34	-95.87
COC(C)C1=NSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013432762	0	35	-2.0	-96.16	319.22	1.89	-94.27
COC(C)C1=NSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013432763	0	46	-2.0	-107.77	365.27	3.89	-103.88
COC(C)C1=NSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013432764	0	40	-2.0	-98.37	338.65	3.27	-95.10
COC(C)C1=NSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013432765	0	43	-2.0	-92.59	364.16	3.61	-88.98
COC(C)C1=NSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013432766	0	40	-2.0	-93.72	338.44	4.59	-89.13
COC(C)C1=NSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013432767	0	41	-2.0	-95.34	355.04	4.01	-91.33
COC(C)C1=NSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013432768	0	40	-2.0	-93.77	343.88	2.88	-90.89
COC(C)C1=NSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013432769	0	40	-2.0	-94.25	344.40	2.89	-91.36
COC(C)C1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013432770	0	41	-2.0	-104.15	346.35	1.46	-102.69
COC(C)C1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013432771	0	38	-2.0	-99.21	330.45	0.59	-98.62
COC(C)C1=NSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013432772	0	38	-2.0	-120.17	329.10	4.13	-116.04
COC(C)C1=NSC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013432773	0	49	-2.0	-89.80	416.41	5.60	-84.20
COC(C)C1=NSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013432774	0	35	-2.0	-97.21	320.89	2.39	-94.82
COC(C)C1=NSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013432775	0	34	-2.0	-102.89	309.66	2.04	-100.85
COC(C)C1=NSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013432776	0	41	-2.0	-96.80	348.26	4.50	-92.30
COC(C)C1=NSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013432777	0	37	-2.0	-100.79	341.03	3.57	-97.22
COC(C)C1=NSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013432778	0	38	-2.0	-98.10	328.57	3.13	-94.97
COC(C)C1=NSC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013432779	0	41	-2.0	-97.48	353.45	2.89	-94.59
COC(C)C1=NSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013432780	0	41	-2.0	-97.78	371.36	5.32	-92.46
COC(C)C1=NSC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013432781	0	34	-2.0	-96.02	305.92	2.78	-93.24
COC(C)C1=NSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013432782	0	35	-2.0	-95.47	319.90	2.42	-93.05
COC(C)C1=NSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013432783	0	43	-2.0	-112.31	348.17	4.29	-108.02
COC(C)C1=NSC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013432784	0	36	-2.0	-95.12	323.77	2.11	-93.01
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300013432785	0	41	-2.0	-97.64	355.23	6.93	-90.71
COC1=CC=C(C2=NSC([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)=N2)C=C1	REAL300013432786	0	41	-2.0	-94.08	371.89	6.78	-87.30
COC1=CC=C(C2=NSC([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=N2)C=C1	REAL300013432787	0	41	-2.0	-92.97	375.55	6.17	-86.80
COC1=CC=C(C2=NSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2)C=C1	REAL300013432788	0	43	-2.0	-92.47	364.33	4.99	-87.48
COC1=CC=C(C2=NSC([N-]C(=O)N3CCOC(C(=O)[O-])C3)=N2)C=C1	REAL300013432789	0	39	-2.0	-99.52	346.84	5.29	-94.23
COC1=CC=C(C2=NSC([N-]C(=O)N(C)CCC(=O)[O-])=N2)C=C1	REAL300013432790	0	37	-2.0	-101.10	336.04	5.92	-95.18
COC1=CC=C(C2=NSC([N-]C(=O)NC3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300013432791	0	44	-2.0	-96.36	378.19	5.85	-90.51
COC1=CC=C(C2=NSC([N-]C(=O)NCCCCC(=O)[O-])=N2)C=C1	REAL300013432792	0	40	-2.0	-94.98	359.30	4.83	-90.15
COC1=CC=C(C2=NSC([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300013432793	0	41	-2.0	-99.92	375.56	6.16	-93.76
COC1=CC=C(C2=NSC([N-]C(=O)NCCC(=O)[O-])=N2)C=C1	REAL300013432794	0	34	-2.0	-97.79	316.30	3.26	-94.53
COC1=CC=C(C2=NSC([N-]C(=O)NCCCCCC(=O)[O-])=N2)C=C1	REAL300013432795	0	43	-2.0	-92.91	380.79	5.61	-87.30
COC1=CC=C(C2=NSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2)C=C1	REAL300013432796	0	38	-2.0	-95.80	344.39	1.54	-94.26
COC1=CC=C(C2=NSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2)C=C1	REAL300013432797	0	40	-2.0	-98.78	351.15	4.72	-94.06
COC1=CC=C(C2=NSC([N-]C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)=N2)C=C1	REAL300013432798	0	44	-2.0	-91.54	393.29	7.58	-83.96
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300013432799	0	41	-2.0	-96.27	359.21	6.33	-89.94
COC1=CC=C(C2=NSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N2)C=C1	REAL300013432800	0	40	-2.0	-98.16	349.24	6.19	-91.97
COC1=CC=C(C2=NSC([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)=N2)C=C1	REAL300013432801	0	44	-2.0	-102.17	375.51	7.43	-94.74
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)C=C1	REAL300013432802	0	44	-2.0	-97.87	367.14	7.10	-90.77
COC1=CC=C(C2=NSC([N-]C(=O)NCCCC(=O)[O-])=N2)C=C1	REAL300013432803	0	37	-2.0	-93.52	337.80	4.05	-89.47
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)=N2)C=C1	REAL300013432804	0	44	-2.0	-102.18	365.91	7.12	-95.06
COC1=CC=C(C2=NSC([N-]C(=O)NCC3(C(=O)[O-])CCOCC3)=N2)C=C1	REAL300013432805	0	45	-2.0	-102.41	378.87	4.03	-98.38
COC1=CC=C(C2=NSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2)C=C1	REAL300013432806	0	43	-2.0	-93.66	370.50	4.92	-88.74
CCC(CC)(CNC(=O)[N-]C1=NC(C2=CC=C(OC)C=C2)=NS1)C(=O)[O-]	REAL300013432807	0	46	-2.0	-105.77	380.74	6.07	-99.70
COC1=CC=C(C2=NSC([N-]C(=O)NC3(CC(=O)[O-])CCC3)=N2)C=C1	REAL300013432808	0	41	-2.0	-109.61	357.74	5.49	-104.12
COC1=CC=C(C2=NSC([N-]C(=O)NCC(C)C(=O)[O-])=N2)C=C1	REAL300013432809	0	37	-2.0	-98.31	334.84	4.01	-94.30
COC1=CC=C(C2=NSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N2)C=C1	REAL300013432810	0	43	-2.0	-103.88	368.33	5.31	-98.57
COC1=CC=C(C2=NSC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432811	0	41	-2.0	-93.73	359.21	5.34	-88.39
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)=N2)C=C1	REAL300013432812	0	47	-2.0	-95.28	394.53	8.31	-86.97
COC1=CC=C(C2=NSC([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=N2)C=C1	REAL300013432813	0	43	-2.0	-108.65	371.62	4.84	-103.81
COC1=CC=C(C2=NSC([N-]C(=O)NCC3(C(=O)[O-])CCCC3)=N2)C=C1	REAL300013432814	0	44	-2.0	-106.62	376.25	6.10	-100.52
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)=N2)C=C1	REAL300013432815	0	44	-2.0	-95.56	367.12	7.58	-87.98
COC1=CC=C(C2=NSC([N-]C(=O)NCC3(C(=O)[O-])CCC3)=N2)C=C1	REAL300013432816	0	41	-2.0	-104.79	359.18	5.26	-99.53
COC1=CC=C(C2=NSC([N-]C(=O)NCC(CC(=O)[O-])C3CC3)=N2)C=C1	REAL300013432817	0	44	-2.0	-104.65	383.30	6.04	-98.61
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)C=C1	REAL300013432818	0	44	-2.0	-97.87	367.14	7.10	-90.77
COC1=CC=C(C2=NSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N2)C=C1	REAL300013432819	0	49	-2.0	-107.72	404.30	6.43	-101.29
COC1=CC=C(C2=NSC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)C=C1	REAL300013432820	0	38	-2.0	-104.24	343.08	4.88	-99.36
COC1=CC=C(C2=NSC([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])=N2)C=C1	REAL300013432821	0	41	-2.0	-116.21	369.16	6.28	-109.93
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=C(OC)C=C3)=NS2)C1	REAL300013432822	0	45	-2.0	-105.52	389.81	5.37	-100.15
COC1=CC=C(C2=NSC([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432823	0	38	-2.0	-94.94	343.24	4.62	-90.32
COC1=CC=C(C2=NSC([N-]C(=O)NC3CCN(CC(=O)[O-])CC3)=N2)C=C1	REAL300013432824	0	46	-2.0	-91.99	391.29	3.69	-88.30
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432825	0	41	-2.0	-100.89	354.02	6.84	-94.05
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432826	0	41	-2.0	-101.14	355.17	6.89	-94.25
COC1=CC=C(C2=NSC([N-]C(=O)NC3CC(C(=O)[O-])C3)=N2)C=C1	REAL300013432827	0	38	-2.0	-95.07	343.26	4.62	-90.45
COC1=CC=C(C2=NSC([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432828	0	38	-2.0	-94.26	342.78	4.67	-89.59
COC1=CC=C(C2=NSC([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300013432829	0	41	-2.0	-99.92	375.56	6.16	-93.76
CCC(CNC(=O)[N-]C1=NC(C2=CC=C(OC)C=C2)=NS1)C(=O)[O-]	REAL300013432830	0	40	-2.0	-103.44	351.88	4.94	-98.50
COC1=CC=C(C2=NSC([N-]C(=O)N3CCCCC3CCC(=O)[O-])=N2)C=C1	REAL300013432831	0	47	-2.0	-115.53	388.50	8.26	-107.27
COC1=CC=C(C2=NSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N2)C=C1	REAL300013432832	0	49	-2.0	-92.27	423.79	7.18	-85.09
COC1=CC=C(C2=NSC([N-]C(=O)NCCCCCCC(=O)[O-])=N2)C=C1	REAL300013432833	0	46	-2.0	-93.64	402.29	6.39	-87.25
COC1=CC=C(C2=NSC([N-]C(=O)N(C)CCCC(=O)[O-])=N2)C=C1	REAL300013432834	0	40	-2.0	-103.32	357.54	6.72	-96.60
COC1=CC=C(C2=NSC([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300013432835	0	44	-2.0	-100.62	369.48	7.58	-93.04
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(C2=CC=C(OC)C=C2)=NS1	REAL300013432836	0	44	-2.0	-105.54	389.23	6.08	-99.46
COC1=CC=C(C2=NSC([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)=N2)C=C1	REAL300013432837	0	47	-2.0	-99.75	394.86	8.29	-91.46
COC1=CC=C(C2=NSC([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)=N2)C=C1	REAL300013432838	0	42	-2.0	-89.21	366.62	5.53	-83.68
COC1=CC=C(C2=NSC([N-]C(=O)N3CC(C(=O)[O-])CCC3C)=N2)C=C1	REAL300013432839	0	44	-2.0	-103.14	371.13	7.48	-95.66
COC1=CC=C(C2=NSC([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)=N2)C=C1	REAL300013432840	0	42	-2.0	-99.19	364.12	4.41	-94.78
COC1=CC=C(C2=NSC([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)=N2)C=C1	REAL300013432841	0	38	-2.0	-99.58	352.26	6.77	-92.81
COC1=CC=C(C2=NSC([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)=N2)C=C1	REAL300013432842	0	39	-2.0	-97.36	353.01	4.84	-92.52
COC1=CC=C(C2=NSC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=N2)C=C1	REAL300013432843	0	44	-2.0	-100.06	373.76	6.27	-93.79
COC1=CC=C(C2=NSC([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)=N2)C=C1	REAL300013432844	0	47	-2.0	-93.60	397.94	6.56	-87.04
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(CC(=O)[O-])CC3)=N2)C=C1	REAL300013432845	0	44	-2.0	-95.00	372.22	7.53	-87.47
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)=N2)C=C1	REAL300013432846	0	45	-2.0	-96.24	388.82	6.96	-89.28
COC1=CC=C(C2=NSC([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432847	0	44	-2.0	-95.37	378.18	5.84	-89.53
COC1=CC=C(C2=NSC([N-]C(=O)NC3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300013432848	0	44	-2.0	-95.28	373.24	6.25	-89.03
COC1=CC=C(C2=NSC([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)=N2)C=C1	REAL300013432849	0	45	-2.0	-105.87	380.13	4.41	-101.46
COC1=CC=C(C2=NSC([N-]C(=O)NCC3(C(=O)[O-])CCOC3)=N2)C=C1	REAL300013432850	0	42	-2.0	-100.95	364.23	3.53	-97.42
COC1=CC=C(C2=NSC([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)=N2)C=C1	REAL300013432851	0	42	-2.0	-122.11	362.88	7.08	-115.03
COC1=CC=C(C2=NSC([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)C=C1	REAL300013432852	0	39	-2.0	-98.84	354.72	5.34	-93.50
COC1=CC=C(C2=NSC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)C=C1	REAL300013432853	0	38	-2.0	-104.24	343.08	4.88	-99.36
COC1=CC=C(C2=NSC([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=N2)C=C1	REAL300013432854	0	45	-2.0	-98.46	382.04	7.45	-91.01
COC1=CC=C(C2=NSC([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300013432855	0	42	-2.0	-99.33	362.37	6.09	-93.24
COC1=CC=C(C2=NSC([N-]C(=O)N3CC(OC)CC(C(=O)[O-])C3)=N2)C=C1	REAL300013432856	0	45	-2.0	-98.72	387.23	5.84	-92.88
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C(=O)[O-])C3)=N2)C=C1	REAL300013432857	0	38	-2.0	-97.33	339.70	5.73	-91.60
COC1=CC=C(C2=NSC([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)C=C1	REAL300013432858	0	39	-2.0	-96.54	353.68	5.36	-91.18
COC1=CC=C(C2=NSC([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)=N2)C=C1	REAL300013432859	0	47	-2.0	-113.83	381.96	7.24	-106.59
COC1=CC=C(C2=NSC([N-]C(=O)NC(C)CCC(=O)[O-])=N2)C=C1	REAL300013432860	0	40	-2.0	-96.37	357.55	5.06	-91.31
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300013432861	0	41	-2.0	-96.99	365.93	8.65	-88.34
CSC1=CC=C(C2=NSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2)C=C1	REAL300013432862	0	43	-2.0	-91.84	375.04	6.71	-85.13
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCOC(C(=O)[O-])C3)=N2)C=C1	REAL300013432863	0	39	-2.0	-98.79	357.55	7.02	-91.77
CSC1=CC=C(C2=NSC([N-]C(=O)NC3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300013432864	0	44	-2.0	-95.67	388.89	7.56	-88.11
CSC1=CC=C(C2=NSC([N-]C(=O)NCCCCC(=O)[O-])=N2)C=C1	REAL300013432865	0	40	-2.0	-94.38	370.00	6.56	-87.82
CSC1=CC=C(C2=NSC([N-]C(=O)NCCC(=O)[O-])=N2)C=C1	REAL300013432866	0	34	-2.0	-97.05	327.00	4.98	-92.07
CSC1=CC=C(C2=NSC([N-]C(=O)NCCCCCC(=O)[O-])=N2)C=C1	REAL300013432867	0	43	-2.0	-92.20	391.50	7.34	-84.86
CSC1=CC=C(C2=NSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2)C=C1	REAL300013432868	0	38	-2.0	-95.16	355.10	3.27	-91.89
CSC1=CC=C(C2=NSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2)C=C1	REAL300013432869	0	40	-2.0	-98.09	361.86	6.44	-91.65
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300013432870	0	41	-2.0	-95.62	369.91	8.06	-87.56
CSC1=CC=C(C2=NSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N2)C=C1	REAL300013432871	0	40	-2.0	-97.70	360.83	7.95	-89.75
CSC1=CC=C(C2=NSC([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)=N2)C=C1	REAL300013432872	0	44	-2.0	-101.50	386.21	9.16	-92.34
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)C=C1	REAL300013432873	0	44	-2.0	-97.19	377.84	8.83	-88.36
CSC1=CC=C(C2=NSC([N-]C(=O)NCCCC(=O)[O-])=N2)C=C1	REAL300013432874	0	37	-2.0	-92.83	348.50	5.78	-87.05
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)=N2)C=C1	REAL300013432875	0	44	-2.0	-101.50	376.61	8.84	-92.66
CSC1=CC=C(C2=NSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2)C=C1	REAL300013432876	0	43	-2.0	-92.95	381.20	6.64	-86.31
CCC(CC)(CNC(=O)[N-]C1=NC(C2=CC=C(SC)C=C2)=NS1)C(=O)[O-]	REAL300013432877	0	46	-2.0	-104.32	389.39	7.62	-96.70
CSC1=CC=C(C2=NSC([N-]C(=O)NC3(CC(=O)[O-])CCC3)=N2)C=C1	REAL300013432878	0	41	-2.0	-108.92	368.44	7.22	-101.70
CSC1=CC=C(C2=NSC([N-]C(=O)NCC(C)C(=O)[O-])=N2)C=C1	REAL300013432879	0	37	-2.0	-97.63	346.36	5.77	-91.86
CSC1=CC=C(C2=NSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N2)C=C1	REAL300013432880	0	43	-2.0	-104.63	384.29	6.92	-97.71
CSC1=CC=C(C2=NSC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432881	0	41	-2.0	-93.19	369.91	7.08	-86.11
CSC1=CC=C(C2=NSC([N-]C(=O)NCC3(C(=O)[O-])CCCC3)=N2)C=C1	REAL300013432882	0	44	-2.0	-105.96	386.96	7.83	-98.13
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)=N2)C=C1	REAL300013432883	0	44	-2.0	-94.85	377.82	9.30	-85.55
CSC1=CC=C(C2=NSC([N-]C(=O)NCC3(C(=O)[O-])CCC3)=N2)C=C1	REAL300013432884	0	41	-2.0	-104.10	369.88	6.98	-97.12
CSC1=CC=C(C2=NSC([N-]C(=O)NCC(CC(=O)[O-])C3CC3)=N2)C=C1	REAL300013432885	0	44	-2.0	-103.93	394.00	7.77	-96.16
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)C=C1	REAL300013432886	0	44	-2.0	-97.19	377.84	8.83	-88.36
CSC1=CC=C(C2=NSC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)C=C1	REAL300013432887	0	38	-2.0	-103.54	353.78	6.60	-96.94
CSC1=CC=C(C2=NSC([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432888	0	38	-2.0	-94.16	353.94	6.34	-87.82
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432889	0	41	-2.0	-100.22	364.73	8.56	-91.66
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432890	0	41	-2.0	-100.47	365.87	8.62	-91.85
CSC1=CC=C(C2=NSC([N-]C(=O)NC3CC(C(=O)[O-])C3)=N2)C=C1	REAL300013432891	0	38	-2.0	-94.36	353.97	6.34	-88.02
CSC1=CC=C(C2=NSC([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432892	0	38	-2.0	-93.64	353.48	6.39	-87.25
CCC(CNC(=O)[N-]C1=NC(C2=CC=C(SC)C=C2)=NS1)C(=O)[O-]	REAL300013432893	0	40	-2.0	-103.54	367.50	6.44	-97.10
CSC1=CC=C(C2=NSC([N-]C(=O)NCCCCCCC(=O)[O-])=N2)C=C1	REAL300013432894	0	46	-2.0	-93.04	412.99	8.12	-84.92
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300013432895	0	44	-2.0	-99.97	380.18	9.31	-90.66
CSC1=CC=C(C2=NSC([N-]C(=O)N3CC(C(=O)[O-])CCC3C)=N2)C=C1	REAL300013432896	0	44	-2.0	-102.42	381.83	9.20	-93.22
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)=N2)C=C1	REAL300013432897	0	42	-2.0	-98.58	374.83	6.14	-92.44
CSC1=CC=C(C2=NSC([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)=N2)C=C1	REAL300013432898	0	38	-2.0	-98.89	362.96	8.51	-90.38
CSC1=CC=C(C2=NSC([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)=N2)C=C1	REAL300013432899	0	39	-2.0	-96.64	363.71	6.56	-90.08
CSC1=CC=C(C2=NSC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=N2)C=C1	REAL300013432900	0	44	-2.0	-99.33	384.46	8.00	-91.33
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC(CC(=O)[O-])CC3)=N2)C=C1	REAL300013432901	0	44	-2.0	-94.27	382.92	9.26	-85.01
CSC1=CC=C(C2=NSC([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432902	0	44	-2.0	-94.66	388.88	7.56	-87.10
CSC1=CC=C(C2=NSC([N-]C(=O)NC3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300013432903	0	44	-2.0	-94.57	383.94	7.97	-86.60
CSC1=CC=C(C2=NSC([N-]C(=O)NCC3(C(=O)[O-])CCOC3)=N2)C=C1	REAL300013432904	0	42	-2.0	-100.23	374.93	5.26	-94.97
CSC1=CC=C(C2=NSC([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)=N2)C=C1	REAL300013432905	0	42	-2.0	-121.41	373.58	8.80	-112.61
CSC1=CC=C(C2=NSC([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)C=C1	REAL300013432906	0	39	-2.0	-98.24	365.42	7.06	-91.18
CSC1=CC=C(C2=NSC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)C=C1	REAL300013432907	0	38	-2.0	-103.54	353.78	6.60	-96.94
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300013432908	0	42	-2.0	-98.67	373.06	7.82	-90.85
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C(=O)[O-])C3)=N2)C=C1	REAL300013432909	0	38	-2.0	-96.70	350.40	7.45	-89.25
CSC1=CC=C(C2=NSC([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)C=C1	REAL300013432910	0	39	-2.0	-95.88	364.38	7.09	-88.79
CSC1=CC=C(C2=NSC([N-]C(=O)NC(C)CCC(=O)[O-])=N2)C=C1	REAL300013432911	0	40	-2.0	-95.69	368.25	6.78	-88.91
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300013432912	0	41	-2.0	-98.18	370.82	8.63	-89.55
CC1=CC=C(SC2=NSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2)C=C1	REAL300013432913	0	43	-2.0	-93.04	379.92	6.69	-86.35
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCOC(C(=O)[O-])C3)=N2)C=C1	REAL300013432914	0	39	-2.0	-99.38	362.30	6.97	-92.41
CC1=CC=C(SC2=NSC([N-]C(=O)NC3CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300013432915	0	44	-2.0	-96.34	393.77	7.54	-88.80
CC1=CC=C(SC2=NSC([N-]C(=O)NCCCCC(=O)[O-])=N2)C=C1	REAL300013432916	0	40	-2.0	-95.17	374.88	6.53	-88.64
CC1=CC=C(SC2=NSC([N-]C(=O)NCCC(=O)[O-])=N2)C=C1	REAL300013432917	0	34	-2.0	-97.84	331.89	4.96	-92.88
CC1=CC=C(SC2=NSC([N-]C(=O)NCCCCCC(=O)[O-])=N2)C=C1	REAL300013432918	0	43	-2.0	-93.37	396.38	7.31	-86.06
CC1=CC=C(SC2=NSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2)C=C1	REAL300013432919	0	38	-2.0	-95.95	359.98	3.24	-92.71
CC1=CC=C(SC2=NSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2)C=C1	REAL300013432920	0	40	-2.0	-98.82	366.74	6.43	-92.39
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300013432921	0	41	-2.0	-97.48	375.36	7.92	-89.56
CC1=CC=C(SC2=NSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N2)C=C1	REAL300013432922	0	40	-2.0	-103.08	365.95	8.17	-94.91
CC1=CC=C(SC2=NSC([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)=N2)C=C1	REAL300013432923	0	44	-2.0	-103.64	385.78	9.37	-94.27
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)C=C1	REAL300013432924	0	44	-2.0	-98.44	382.73	8.79	-89.65
CC1=CC=C(SC2=NSC([N-]C(=O)NCCCC(=O)[O-])=N2)C=C1	REAL300013432925	0	37	-2.0	-93.97	353.39	5.75	-88.22
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)=N2)C=C1	REAL300013432926	0	44	-2.0	-102.11	381.50	8.82	-93.29
CC1=CC=C(SC2=NSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2)C=C1	REAL300013432927	0	43	-2.0	-94.07	386.09	6.62	-87.45
CCC(CC)(CNC(=O)[N-]C1=NC(SC2=CC=C(C)C=C2)=NS1)C(=O)[O-]	REAL300013432928	0	46	-2.0	-106.92	398.98	7.43	-99.49
CC1=CC=C(SC2=NSC([N-]C(=O)NC3(CC(=O)[O-])CCC3)=N2)C=C1	REAL300013432929	0	41	-2.0	-107.59	372.97	7.19	-100.40
CC1=CC=C(SC2=NSC([N-]C(=O)NCC(C)C(=O)[O-])=N2)C=C1	REAL300013432930	0	37	-2.0	-98.34	350.43	5.71	-92.63
CC1=CC=C(SC2=NSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N2)C=C1	REAL300013432931	0	43	-2.0	-104.46	383.92	7.01	-97.45
CC1=CC=C(SC2=NSC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432932	0	41	-2.0	-93.94	374.81	7.04	-86.90
CC1=CC=C(SC2=NSC([N-]C(=O)NCC3(C(=O)[O-])CCCC3)=N2)C=C1	REAL300013432933	0	44	-2.0	-107.24	391.84	7.80	-99.44
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)=N2)C=C1	REAL300013432934	0	44	-2.0	-96.13	382.70	9.28	-86.85
CC1=CC=C(SC2=NSC([N-]C(=O)NCC3(C(=O)[O-])CCC3)=N2)C=C1	REAL300013432935	0	41	-2.0	-105.91	373.87	7.10	-98.81
CC1=CC=C(SC2=NSC([N-]C(=O)NCC(CC(=O)[O-])C3CC3)=N2)C=C1	REAL300013432936	0	44	-2.0	-104.64	399.40	7.82	-96.82
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)C=C1	REAL300013432937	0	44	-2.0	-98.44	382.73	8.79	-89.65
CC1=CC=C(SC2=NSC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)C=C1	REAL300013432938	0	38	-2.0	-105.55	359.03	6.69	-98.86
CC1=CC=C(SC2=NSC([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432939	0	38	-2.0	-95.58	358.51	6.32	-89.26
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432940	0	41	-2.0	-100.84	370.29	8.56	-92.28
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432941	0	41	-2.0	-101.07	370.75	8.59	-92.48
CC1=CC=C(SC2=NSC([N-]C(=O)NC3CC(C(=O)[O-])C3)=N2)C=C1	REAL300013432942	0	38	-2.0	-95.48	358.85	6.32	-89.16
CC1=CC=C(SC2=NSC([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432943	0	38	-2.0	-94.55	358.68	6.36	-88.19
CCC(CNC(=O)[N-]C1=NC(SC2=CC=C(C)C=C2)=NS1)C(=O)[O-]	REAL300013432944	0	40	-2.0	-104.00	367.21	6.62	-97.38
CC1=CC=C(SC2=NSC([N-]C(=O)NCCCCCCC(=O)[O-])=N2)C=C1	REAL300013432945	0	46	-2.0	-93.89	417.88	8.09	-85.80
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300013432946	0	44	-2.0	-100.55	385.39	9.30	-91.25
CC1=CC=C(SC2=NSC([N-]C(=O)N3CC(C(=O)[O-])CCC3C)=N2)C=C1	REAL300013432947	0	44	-2.0	-104.20	385.50	9.12	-95.08
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)=N2)C=C1	REAL300013432948	0	42	-2.0	-99.25	379.64	6.10	-93.15
CC1=CC=C(SC2=NSC([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)=N2)C=C1	REAL300013432949	0	38	-2.0	-99.55	367.85	8.46	-91.09
CC1=CC=C(SC2=NSC([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)=N2)C=C1	REAL300013432950	0	39	-2.0	-97.17	368.59	6.55	-90.62
CC1=CC=C(SC2=NSC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=N2)C=C1	REAL300013432951	0	44	-2.0	-100.56	388.03	7.93	-92.63
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(CC(=O)[O-])CC3)=N2)C=C1	REAL300013432952	0	44	-2.0	-95.89	387.81	9.23	-86.66
CC1=CC=C(SC2=NSC([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300013432953	0	44	-2.0	-95.80	393.78	7.54	-88.26
CC1=CC=C(SC2=NSC([N-]C(=O)NC3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300013432954	0	44	-2.0	-95.99	388.82	7.95	-88.04
CC1=CC=C(SC2=NSC([N-]C(=O)NCC3(C(=O)[O-])CCOC3)=N2)C=C1	REAL300013432955	0	42	-2.0	-103.66	380.53	5.08	-98.58
CC1=CC=C(SC2=NSC([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)=N2)C=C1	REAL300013432956	0	42	-2.0	-122.06	378.47	8.78	-113.28
CC1=CC=C(SC2=NSC([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)C=C1	REAL300013432957	0	39	-2.0	-99.38	370.26	7.04	-92.34
CC1=CC=C(SC2=NSC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)C=C1	REAL300013432958	0	38	-2.0	-105.55	359.03	6.69	-98.86
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300013432959	0	42	-2.0	-99.16	377.95	7.79	-91.37
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C(=O)[O-])C3)=N2)C=C1	REAL300013432960	0	38	-2.0	-97.46	355.27	7.44	-90.02
CC1=CC=C(SC2=NSC([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)C=C1	REAL300013432961	0	39	-2.0	-96.68	369.27	7.06	-89.62
CC1=CC=C(SC2=NSC([N-]C(=O)NC(C)CCC(=O)[O-])=N2)C=C1	REAL300013432962	0	40	-2.0	-96.95	373.14	6.76	-90.19
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013433667	0	39	-2.0	-104.87	329.90	6.00	-98.87
CC(C)(C)C1=NN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013433668	0	39	-2.0	-101.42	346.56	5.86	-95.56
CC(C)(C)C1=NN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013433669	0	39	-2.0	-98.80	350.23	5.25	-93.55
CC(C)(C)C1=NN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013433670	0	41	-2.0	-98.92	339.00	4.07	-94.85
CC(C)(C)C1=NN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013433671	0	37	-2.0	-109.08	321.48	4.36	-104.72
CC(C)(C)C1=NN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013433672	0	42	-2.0	-104.17	352.86	4.92	-99.25
CC(C)(C)C1=NN=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013433673	0	38	-2.0	-102.69	333.97	3.92	-98.77
CC(C)(C)C1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013433674	0	39	-2.0	-106.83	350.24	5.24	-101.59
CC(C)(C)C1=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013433675	0	41	-2.0	-99.74	355.46	4.70	-95.04
CC(C)(C)C1=NN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013433676	0	36	-2.0	-104.86	319.47	0.68	-104.18
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013433677	0	49	-2.0	-108.28	404.67	9.38	-98.90
CC(C)(C)C1=NN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013433678	0	38	-2.0	-108.47	325.82	3.81	-104.66
CC(C)(C)C1=NN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013433679	0	42	-2.0	-98.22	367.96	6.66	-91.56
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013433680	0	39	-2.0	-105.35	333.88	5.42	-99.93
CC(CN(C)C(=O)[N-]C1=NN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013433681	0	38	-2.0	-113.18	325.04	5.54	-107.64
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C(C)(C)C)S2)C1	REAL300013433682	0	42	-2.0	-107.54	344.86	6.75	-100.79
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013433683	0	42	-2.0	-105.43	342.60	6.23	-99.20
CC1CCN(C(=O)[N-]C2=NN=C(C(C)(C)C)S2)CC1C(=O)[O-]	REAL300013433684	0	42	-2.0	-112.54	348.19	6.47	-106.07
CC(C)(C)C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013433685	0	43	-2.0	-110.88	353.54	3.12	-107.76
CC(C)(C)C1=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013433686	0	41	-2.0	-100.77	345.17	4.01	-96.76
CCC(CC)(CNC(=O)[N-]C1=NN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013433687	0	44	-2.0	-113.87	353.36	4.98	-108.89
CC(C)(C)C1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013433688	0	39	-2.0	-118.32	332.42	4.57	-113.75
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013433689	0	50	-2.0	-101.50	408.73	6.75	-94.75
CC(C)C(CNC(=O)[N-]C1=NN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013433690	0	41	-2.0	-114.14	348.25	4.28	-109.86
CC(NC(=O)[N-]C1=NN=C(C(C)(C)C)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013433691	0	48	-2.0	-110.30	387.41	6.29	-104.01
CC(C)(C)C1=NN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013433692	0	45	-2.0	-116.22	375.96	6.69	-109.53
CC(C)(C)C1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013433693	0	39	-2.0	-100.31	333.89	4.42	-95.89
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013433694	0	45	-2.0	-101.60	369.21	7.39	-94.21
CC(C)(C)C1=NN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013433695	0	41	-2.0	-118.63	346.29	3.92	-114.71
CC(C)(C)C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013433696	0	42	-2.0	-115.27	350.93	5.19	-110.08
CC1CN(C(=O)[N-]C2=NN=C(C(C)(C)C)S2)CCC1C(=O)[O-]	REAL300013433697	0	42	-2.0	-102.17	341.80	6.65	-95.52
CC(C)(C)C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013433698	0	39	-2.0	-112.87	333.86	4.34	-108.53
CC(C)(C)C1=NN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013433699	0	42	-2.0	-114.74	357.98	5.13	-109.61
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013433700	0	42	-2.0	-105.43	342.60	6.23	-99.20
CC(C)C[C@H](CNC(=O)[N-]C1=NN=C(C(C)(C)C)S1)CC(=O)[O-]	REAL300013433701	0	47	-2.0	-117.66	378.99	5.51	-112.15
CC(C)(C)C1=NN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013433702	0	39	-2.0	-126.21	343.87	5.33	-120.88
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C(C)(C)C)S2)C1	REAL300013433703	0	43	-2.0	-115.68	364.47	4.45	-111.23
CC(C)(C)C1=NN=C([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300013433704	0	44	-2.0	-98.86	365.96	2.76	-96.10
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NN=C(C(C)(C)C)S3)C2)C=N1	REAL300013433705	0	49	-2.0	-111.73	411.86	7.22	-104.51
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013433706	0	39	-2.0	-110.86	329.38	5.94	-104.92
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013433707	0	39	-2.0	-111.04	329.83	5.96	-105.08
CC(C)(C)C1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013433708	0	39	-2.0	-106.83	350.24	5.24	-101.59
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NN=C(C(C)(C)C)S1)CC2C(=O)[O-]	REAL300013433709	0	49	-2.0	-109.15	412.55	7.26	-101.89
CCC(CNC(=O)[N-]C1=NN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013433710	0	38	-2.0	-112.82	331.47	3.80	-109.02
CC(C)(C)C1=NN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013433711	0	45	-2.0	-126.07	362.56	7.30	-118.77
CC(C)(C)C1=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013433712	0	47	-2.0	-98.85	398.46	6.26	-92.59
CC(C)(C)C1=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013433713	0	44	-2.0	-100.76	376.96	5.48	-95.28
CN(CCCC(=O)[O-])C(=O)[N-]C1=NN=C(C(C)(C)C)S1	REAL300013433714	0	38	-2.0	-111.70	332.21	5.80	-105.90
CC(C)(C)C1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013433715	0	42	-2.0	-110.44	344.44	6.66	-103.78
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C(C)(C)C)S2)C1	REAL300013433716	0	46	-2.0	-113.23	375.55	6.46	-106.77
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C(C)(C)C)S1	REAL300013433717	0	42	-2.0	-110.33	363.90	5.16	-105.17
CC(C)(C)C1=NN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013433718	0	45	-2.0	-108.38	369.49	7.36	-101.02
CC(C)(C)C1=NN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013433719	0	43	-2.0	-131.82	362.05	8.54	-123.28
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NN=C(C(C)(C)C)S2)CCO1	REAL300013433720	0	50	-2.0	-102.46	417.54	5.59	-96.87
CC(C)(C)C1=NN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013433721	0	40	-2.0	-95.67	341.29	4.61	-91.06
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(C(C)(C)C)S1	REAL300013433722	0	42	-2.0	-108.77	345.80	6.55	-102.22
CC(C)(C)C1=NN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013433723	0	46	-2.0	-110.01	391.64	8.36	-101.65
CC(C)(C)C1=NN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013433724	0	40	-2.0	-108.49	338.80	3.49	-105.00
CC(C)(C)C1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013433725	0	43	-2.0	-104.35	372.91	6.46	-97.89
CC(C)(C)C1=NN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013433726	0	46	-2.0	-138.32	378.53	5.44	-132.88
CC(C)(C)C1=NN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013433727	0	36	-2.0	-108.71	326.93	5.86	-102.85
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C(C)(C)C)S2)CC1	REAL300013433728	0	46	-2.0	-107.59	372.78	6.09	-101.50
CC(C)(C)C1=NN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013433729	0	37	-2.0	-105.97	327.68	3.92	-102.05
CC(C)(C)C1=NN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013433730	0	48	-2.0	-119.63	373.72	5.93	-113.70
CC(C)(C)C1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013433731	0	42	-2.0	-105.84	347.11	5.30	-100.54
CC(C)(C)C1=NN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013433732	0	45	-2.0	-99.36	371.29	5.62	-93.74
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013433733	0	42	-2.0	-101.20	346.89	6.61	-94.59
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013433734	0	43	-2.0	-102.67	363.50	6.03	-96.64
CC(C)(C)C1=NN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013433735	0	42	-2.0	-102.70	352.86	4.91	-97.79
CC(C)(C)C1=NN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013433736	0	42	-2.0	-102.40	352.35	4.90	-97.50
CC(C)(C)C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013433737	0	43	-2.0	-114.94	354.81	3.49	-111.45
CC(C)(C)C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013433738	0	40	-2.0	-110.94	339.61	2.47	-108.47
CC(C)(C)C1=NN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013433739	0	40	-2.0	-105.29	333.68	6.06	-99.23
CC(C)(C)C1=NN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013433740	0	51	-2.0	-96.81	424.86	7.62	-89.19
CC(C)(C)C1=NN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013433741	0	37	-2.0	-105.93	329.39	4.41	-101.52
CC(C)(C)C1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013433742	0	43	-2.0	-105.28	356.66	6.54	-98.74
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013433743	0	39	-2.0	-111.44	349.49	5.60	-105.84
CC(C)(C)C1=NN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013433744	0	40	-2.0	-108.68	337.04	5.16	-103.52
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C(C)(C)C)S2)C1	REAL300013433745	0	43	-2.0	-108.39	361.91	4.91	-103.48
CC(C)(C)C1=NN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013433746	0	43	-2.0	-107.12	379.83	7.36	-99.76
CC(C)(C)C1=NN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013433747	0	37	-2.0	-104.53	328.36	4.44	-100.09
CC(C)(C)C1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013433748	0	45	-2.0	-122.79	356.63	6.31	-116.48
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C(C)(C)C)S1	REAL300013433749	0	38	-2.0	-103.43	332.22	4.13	-99.30
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435295	0	34	-2.0	-103.37	319.04	6.25	-97.12
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)=C1	REAL300013435296	0	34	-2.0	-99.81	335.71	6.10	-93.71
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C=C1	REAL300013435297	0	34	-2.0	-97.42	339.37	5.49	-91.93
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435298	0	36	-2.0	-97.37	328.15	4.32	-93.05
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CCO1	REAL300013435299	0	32	-2.0	-107.35	310.53	4.59	-102.76
CN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435300	0	30	-2.0	-108.99	299.86	5.24	-103.75
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435301	0	37	-2.0	-102.57	342.01	5.16	-97.41
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435302	0	33	-2.0	-101.10	323.11	4.16	-96.94
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)=CC=C1	REAL300013435303	0	34	-2.0	-105.27	339.38	5.48	-99.79
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435304	0	36	-2.0	-98.12	344.61	4.94	-93.18
CC(O)(CNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300013435305	0	31	-2.0	-103.18	308.21	0.87	-102.31
CC(C)(CNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300013435306	0	33	-2.0	-106.93	315.55	4.03	-102.90
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)=C1	REAL300013435307	0	37	-2.0	-96.64	357.11	6.91	-89.73
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435308	0	34	-2.0	-104.95	323.59	5.56	-99.39
CC(CN(C)C(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300013435309	0	33	-2.0	-111.45	314.18	5.79	-105.66
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435310	0	37	-2.0	-105.88	334.00	6.99	-98.89
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435311	0	37	-2.0	-103.53	330.96	6.43	-97.10
O=C([O-])CCCNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435312	0	30	-2.0	-99.36	301.61	3.38	-95.98
CC1CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1C(=O)[O-]	REAL300013435313	0	37	-2.0	-110.42	329.72	6.43	-103.99
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CCOCC1	REAL300013435314	0	38	-2.0	-110.77	341.69	3.53	-107.24
CC(C)(CCNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300013435315	0	36	-2.0	-99.16	334.31	4.25	-94.91
CCC(CC)(CNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300013435316	0	39	-2.0	-113.00	347.21	5.06	-107.94
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CCC1	REAL300013435317	0	34	-2.0	-116.24	321.56	4.82	-111.42
CC(CNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300013435318	0	30	-2.0	-106.04	298.66	3.34	-102.70
CC(C)C(CNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300013435319	0	36	-2.0	-110.70	332.15	4.64	-106.06
CC(NC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013435320	0	43	-2.0	-108.54	373.99	5.93	-102.61
CC(CNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013435321	0	40	-2.0	-115.45	370.49	6.70	-108.75
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435322	0	34	-2.0	-98.77	323.03	4.66	-94.11
O=C([O-])CCC1CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435323	0	40	-2.0	-100.13	358.35	7.63	-92.50
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NN=C(C3=CSC=C3)S1)C2	REAL300013435324	0	36	-2.0	-116.75	335.44	4.16	-112.59
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CCCC1	REAL300013435325	0	37	-2.0	-113.35	340.07	5.43	-107.92
CC1CN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CCC1C(=O)[O-]	REAL300013435326	0	37	-2.0	-100.82	330.94	6.90	-93.92
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CCC1	REAL300013435327	0	34	-2.0	-111.56	322.09	4.73	-106.83
O=C([O-])CC(CNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C1CC1	REAL300013435328	0	37	-2.0	-112.78	347.12	5.37	-107.41
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435329	0	37	-2.0	-103.53	330.96	6.43	-97.10
CC(C)C[C@H](CNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)CC(=O)[O-]	REAL300013435330	0	42	-2.0	-101.24	373.52	5.98	-95.26
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435331	0	31	-2.0	-110.67	307.25	4.32	-106.35
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435332	0	34	-2.0	-123.94	332.98	5.60	-118.34
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435333	0	38	-2.0	-116.77	355.18	4.68	-112.09
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435334	0	31	-2.0	-100.76	306.73	3.94	-96.82
O=C([O-])CN1CCC(NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435335	0	39	-2.0	-97.26	355.11	3.00	-94.26
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435336	0	34	-2.0	-109.09	318.52	6.18	-102.91
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435337	0	34	-2.0	-109.21	318.98	6.21	-103.00
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435338	0	31	-2.0	-100.71	307.08	3.94	-96.77
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435339	0	31	-2.0	-100.29	306.97	3.99	-96.30
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)=CC=C1	REAL300013435340	0	34	-2.0	-105.27	339.38	5.48	-99.79
CCC(CNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300013435341	0	33	-2.0	-110.89	320.61	4.05	-106.84
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435342	0	40	-2.0	-124.28	351.71	7.55	-116.73
O=C([O-])CCCCCCCNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435343	0	42	-2.0	-97.38	387.60	6.50	-90.88
O=C([O-])CCCCCCNC(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435344	0	39	-2.0	-99.14	366.11	5.72	-93.42
CN(CCCC(=O)[O-])C(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435345	0	33	-2.0	-110.15	321.35	6.04	-104.11
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435346	0	37	-2.0	-108.63	333.61	6.91	-101.72
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435347	0	41	-2.0	-112.90	365.62	6.08	-106.82
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435348	0	37	-2.0	-108.83	353.05	5.40	-103.43
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435349	0	40	-2.0	-106.72	358.64	7.61	-99.11
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC2=CC=CC=C21	REAL300013435350	0	38	-2.0	-129.68	351.27	8.79	-120.89
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435351	0	35	-2.0	-94.21	330.44	4.85	-89.36
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435352	0	37	-2.0	-107.18	334.94	6.80	-100.38
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435353	0	35	-2.0	-106.79	327.94	3.73	-103.06
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C2=CC=CC=C21	REAL300013435354	0	38	-2.0	-101.13	357.57	6.47	-94.66
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1=O	REAL300013435355	0	41	-2.0	-136.50	367.67	5.69	-130.81
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)=C1	REAL300013435356	0	31	-2.0	-106.91	316.08	6.10	-100.81
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435357	0	41	-2.0	-106.12	363.15	5.60	-100.52
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(C4=CSC=C4)S3)(C1)C2	REAL300013435358	0	32	-2.0	-104.41	316.82	4.17	-100.24
O=C([O-])CC1(CNC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CCCCC1	REAL300013435359	0	43	-2.0	-117.61	362.86	6.17	-111.44
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435360	0	37	-2.0	-104.63	337.57	5.59	-99.04
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435361	0	40	-2.0	-97.85	360.44	5.87	-91.98
O=C([O-])CC1CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435362	0	37	-2.0	-99.65	336.04	6.85	-92.80
O=C([O-])COC1CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435363	0	38	-2.0	-101.26	352.63	6.28	-94.98
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435364	0	37	-2.0	-101.04	342.00	5.16	-95.88
O=C([O-])C1CCCC(NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435365	0	37	-2.0	-100.68	341.48	5.14	-95.54
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CCCOC1	REAL300013435366	0	38	-2.0	-112.81	343.95	3.74	-109.07
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CCOC1	REAL300013435367	0	35	-2.0	-109.08	328.76	2.71	-106.37
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435368	0	35	-2.0	-130.93	326.70	6.41	-124.52
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NN=C(C3=CSC=C3)S1)C2	REAL300013435369	0	32	-2.0	-104.13	318.49	4.65	-99.48
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC1	REAL300013435370	0	31	-2.0	-110.67	307.25	4.32	-106.35
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CC12CCC2	REAL300013435371	0	38	-2.0	-103.63	345.80	6.78	-96.85
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435372	0	34	-2.0	-109.68	338.63	5.85	-103.83
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CCO1	REAL300013435373	0	35	-2.0	-106.95	326.18	5.41	-101.54
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435374	0	38	-2.0	-106.58	351.06	5.16	-101.42
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NN=C(C4=CSC=C4)S3)=CC=C21	REAL300013435375	0	38	-2.0	-105.43	368.97	7.60	-97.83
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=CSC=C3)S2)C1	REAL300013435376	0	31	-2.0	-104.88	303.49	5.07	-99.81
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(C3=CSC=C3)S1)C2	REAL300013435377	0	32	-2.0	-102.92	317.50	4.68	-98.24
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3=CSC=C3)S2)CCCCC1	REAL300013435378	0	40	-2.0	-120.68	345.77	6.56	-114.12
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=CSC=C2)S1	REAL300013435379	0	33	-2.0	-101.79	321.37	4.38	-97.41
CCC1=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)SC=N1	REAL300013439121	1	34	-2.0	-89.82	309.87	4.65	-85.17
CCC1=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)SC=N1	REAL300013439125	1	37	-2.0	-86.94	331.27	5.45	-81.49
CCC1=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])SC=N1	REAL300013439159	1	38	-2.0	-94.09	343.39	6.11	-87.98
CN1N=CN=C1[N-]C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300013439441	1	35	-2.0	-104.46	315.17	8.42	-96.04
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013439667	0	39	-2.0	-108.61	346.77	5.84	-102.77
CCOC(=O)CC1=NN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013439668	0	39	-2.0	-104.73	363.44	5.69	-99.04
CCOC(=O)CC1=NN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013439669	0	39	-2.0	-102.12	367.10	5.08	-97.04
CCOC(=O)CC1=NN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013439670	0	41	-2.0	-102.09	355.88	3.90	-98.19
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013439671	0	37	-2.0	-112.05	338.38	4.20	-107.85
CCOC(=O)CC1=NN=C([N-]C(=O)N(C)CCC(=O)[O-])S1	REAL300013439672	0	35	-2.0	-113.59	327.59	4.82	-108.77
CCOC(=O)CC1=NN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013439673	0	42	-2.0	-107.42	369.75	4.75	-102.67
CCOC(=O)CC1=NN=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013439674	0	38	-2.0	-105.92	350.84	3.75	-102.17
CCOC(=O)CC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013439675	0	39	-2.0	-110.68	367.11	5.07	-105.61
CCOC(=O)CC1=NN=C([N-]C(=O)NCCC(=O)[O-])S1	REAL300013439676	0	32	-2.0	-110.27	307.84	2.17	-108.10
CCOC(=O)CC1=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013439677	0	41	-2.0	-102.93	372.34	4.53	-98.40
CCOC(=O)CC1=NN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013439678	0	36	-2.0	-107.89	336.35	0.52	-107.37
CCOC(=O)CC1=NN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013439679	0	38	-2.0	-111.43	342.70	3.64	-107.79
CCOC(=O)CC1=NN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013439680	0	42	-2.0	-101.40	384.84	6.50	-94.90
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013439681	0	39	-2.0	-108.56	350.75	5.25	-103.31
CCOC(=O)CC1=NN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013439682	0	38	-2.0	-116.59	342.72	5.41	-111.18
CCOC(=O)CC1=NN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013439683	0	42	-2.0	-111.24	367.05	6.34	-104.90
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013439684	0	42	-2.0	-107.71	358.69	6.02	-101.69
CCOC(=O)CC1=NN=C([N-]C(=O)NCCCC(=O)[O-])S1	REAL300013439685	0	35	-2.0	-104.10	329.34	2.97	-101.13
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013439686	0	42	-2.0	-115.76	365.06	6.30	-109.46
CCOC(=O)CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013439687	0	43	-2.0	-116.39	369.42	3.12	-113.27
CCOC(=O)CC1=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013439688	0	41	-2.0	-103.90	362.63	3.85	-100.05
CCOC(=O)CC1=NN=C([N-]C(=O)NCC(CC)(CC)C(=O)[O-])S1	REAL300013439689	0	44	-2.0	-118.51	374.94	4.65	-113.86
CCOC(=O)CC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013439690	0	39	-2.0	-122.25	349.29	4.41	-117.84
CCOC(=O)CC1=NN=C([N-]C(=O)NCC(C)C(=O)[O-])S1	REAL300013439691	0	35	-2.0	-110.57	325.51	2.91	-107.66
CCOC(=O)CC1=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013439692	0	41	-2.0	-117.62	365.13	4.12	-113.50
CCOC(=O)CC1=NN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013439693	0	48	-2.0	-113.97	404.74	6.10	-107.87
CCOC(=O)CC1=NN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013439694	0	45	-2.0	-119.52	392.84	6.53	-112.99
CCOC(=O)CC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013439695	0	39	-2.0	-103.48	350.76	4.25	-99.23
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013439696	0	45	-2.0	-105.28	386.08	7.23	-98.05
CCOC(=O)CC1=NN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013439697	0	41	-2.0	-108.69	362.47	3.85	-104.84
CCOC(=O)CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013439698	0	42	-2.0	-119.01	367.80	5.02	-113.99
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013439699	0	42	-2.0	-104.95	358.67	6.49	-98.46
CCOC(=O)CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013439700	0	39	-2.0	-117.18	349.82	4.32	-112.86
CCOC(=O)CC1=NN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013439701	0	42	-2.0	-117.21	374.84	4.96	-112.25
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013439702	0	42	-2.0	-107.71	358.69	6.02	-101.69
CCOC(=O)CC1=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013439703	0	47	-2.0	-119.95	395.86	5.35	-114.60
CCOC(=O)CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013439704	0	36	-2.0	-116.14	334.99	3.91	-112.23
CCOC(=O)CC1=NN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013439705	0	39	-2.0	-130.19	360.71	5.20	-124.99
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)S1	REAL300013439706	0	43	-2.0	-118.39	381.35	4.28	-114.11
CCOC(=O)CC1=NN=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013439707	0	36	-2.0	-105.69	334.80	3.52	-102.17
CCOC(=O)CC1=NN=C([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300013439708	0	44	-2.0	-102.07	382.84	2.59	-99.48
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013439709	0	39	-2.0	-113.77	346.26	5.77	-108.00
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013439710	0	39	-2.0	-114.21	346.70	5.79	-108.42
CCOC(=O)CC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013439711	0	36	-2.0	-105.68	334.81	3.53	-102.15
CCOC(=O)CC1=NN=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013439712	0	36	-2.0	-105.14	334.32	3.57	-101.57
CCOC(=O)CC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013439713	0	39	-2.0	-110.68	367.11	5.07	-105.61
CCOC(=O)CC1=NN=C([N-]C(=O)NCC(CC)C(=O)[O-])S1	REAL300013439714	0	38	-2.0	-116.30	348.34	3.63	-112.67
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013439715	0	45	-2.0	-128.93	379.43	7.14	-121.79
CCOC(=O)CC1=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013439716	0	47	-2.0	-102.12	415.34	6.09	-96.03
CCOC(=O)CC1=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013439717	0	44	-2.0	-103.99	393.84	5.31	-98.68
CCOC(=O)CC1=NN=C([N-]C(=O)N(C)CCCC(=O)[O-])S1	REAL300013439718	0	38	-2.0	-114.14	349.08	5.63	-108.51
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013439719	0	42	-2.0	-113.51	361.31	6.50	-107.01
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)S1	REAL300013439720	0	46	-2.0	-117.62	393.35	5.66	-111.96
CCOC(=O)CC1=NN=C([N-]C(=O)N(CCOC)CCC(=O)[O-])S1	REAL300013439721	0	42	-2.0	-113.75	380.77	4.99	-108.76
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013439722	0	45	-2.0	-111.57	386.41	7.21	-104.36
CCOC(=O)CC1=NN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013439723	0	43	-2.0	-133.60	378.92	8.37	-125.23
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013439724	0	40	-2.0	-99.39	358.55	4.54	-94.85
CCOC(=O)CC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013439725	0	42	-2.0	-111.78	361.46	6.34	-105.44
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013439726	0	40	-2.0	-111.36	355.67	3.32	-108.04
CCOC(=O)CC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013439727	0	43	-2.0	-107.27	389.78	6.29	-100.98
CCOC(=O)CC1=NN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013439728	0	46	-2.0	-139.57	395.41	5.27	-134.30
CCOC(=O)CC1=NN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013439729	0	36	-2.0	-111.45	343.81	5.68	-105.77
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)S1	REAL300013439730	0	46	-2.0	-111.45	389.65	5.94	-105.51
CCOC(=O)CC1=NN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013439731	0	37	-2.0	-109.15	344.55	3.75	-105.40
CCOC(=O)CC1=NN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013439732	0	48	-2.0	-123.27	390.75	5.72	-117.55
CCOC(=O)CC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013439733	0	42	-2.0	-108.88	365.30	5.19	-103.69
CCOC(=O)CC1=NN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013439734	0	45	-2.0	-102.65	388.17	5.45	-97.20
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013439735	0	42	-2.0	-104.67	363.77	6.45	-98.22
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013439736	0	43	-2.0	-106.51	380.37	5.87	-100.64
CCOC(=O)CC1=NN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013439737	0	42	-2.0	-105.73	369.21	4.73	-101.00
CCOC(=O)CC1=NN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013439738	0	42	-2.0	-106.14	369.73	4.74	-101.40
CCOC(=O)CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013439739	0	43	-2.0	-118.39	371.68	3.32	-115.07
CCOC(=O)CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013439740	0	40	-2.0	-113.49	356.49	2.30	-111.19
CCOC(=O)CC1=NN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013439741	0	40	-2.0	-108.63	350.55	5.89	-102.74
CCOC(=O)CC1=NN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013439742	0	37	-2.0	-109.36	346.21	4.24	-105.12
CCOC(=O)CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013439743	0	36	-2.0	-116.14	334.99	3.91	-112.23
CCOC(=O)CC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013439744	0	43	-2.0	-108.54	373.58	6.37	-102.17
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013439745	0	39	-2.0	-115.47	366.36	5.43	-110.04
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013439746	0	40	-2.0	-111.80	353.91	5.00	-106.80
CCOC(=O)CC1=NN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013439747	0	43	-2.0	-111.48	378.78	4.74	-106.74
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013439748	0	36	-2.0	-109.77	331.25	4.64	-105.13
CCOC(=O)CC1=NN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013439749	0	37	-2.0	-107.46	345.23	4.27	-103.19
CCOC(=O)CC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013439750	0	45	-2.0	-126.80	373.50	6.15	-120.65
CCOC(=O)CC1=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013439751	0	38	-2.0	-107.05	349.10	3.96	-103.09
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])CC1)S2	REAL300013441231	1	44	-2.0	-102.57	351.41	7.76	-94.81
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC(=O)[O-])=C1)S2	REAL300013441232	0	44	-2.0	-99.04	368.01	7.63	-91.41
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC1=CC=C(C(=O)[O-])C=C1)S2	REAL300013441233	1	44	-2.0	-97.00	371.67	7.03	-89.97
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013441234	1	46	-2.0	-97.02	360.44	5.85	-91.17
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCOC(C(=O)[O-])C1)S2	REAL300013441235	1	42	-2.0	-104.45	342.96	6.15	-98.30
CN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013441236	1	40	-2.0	-105.96	332.15	6.79	-99.17
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1CCC(C(=O)[O-])CC1)S2	REAL300013441237	1	47	-2.0	-100.13	374.31	6.69	-93.44
CC1(C)CCCC2=C1N=C([N-]C(=O)NCCCCC(=O)[O-])S2	REAL300013441238	1	43	-2.0	-99.19	355.41	5.70	-93.49
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)S2	REAL300013441239	1	44	-2.0	-104.70	371.67	7.02	-97.68
CC1(C)CCCC2=C1N=C([N-]C(=O)NCCCCCC(=O)[O-])S2	REAL300013441240	1	46	-2.0	-96.94	376.90	6.48	-90.46
CC(O)(CNC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013441241	1	41	-2.0	-101.20	340.50	2.41	-98.79
CC(C)(CNC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013441242	1	43	-2.0	-104.34	347.84	5.58	-98.76
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1=CC=CC(CCC(=O)[O-])=C1)S2	REAL300013441243	0	47	-2.0	-95.73	389.41	8.44	-87.29
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1	REAL300013441244	1	44	-2.0	-101.44	353.94	7.13	-94.31
CC(CN(C)C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013441245	1	43	-2.0	-107.97	346.48	7.34	-100.63
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1	REAL300013441246	1	47	-2.0	-109.00	366.30	8.53	-100.47
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)S2	REAL300013441247	1	47	-2.0	-103.16	364.11	8.02	-95.14
CC1(C)CCCC2=C1N=C([N-]C(=O)NCCCC(=O)[O-])S2	REAL300013441248	1	40	-2.0	-98.50	333.91	4.92	-93.58
CC1CCN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)CC1C(=O)[O-]	REAL300013441249	1	47	-2.0	-106.18	366.03	8.13	-98.05
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCOCC1)S2	REAL300013441250	1	48	-2.0	-111.30	374.00	5.08	-106.22
CC(C)(CCNC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013441251	1	46	-2.0	-98.60	367.19	5.80	-92.80
CCC(CC)(CNC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013441252	1	49	-2.0	-113.61	379.49	6.60	-107.01
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(CC(=O)[O-])CCC1)S2	REAL300013441253	1	44	-2.0	-118.51	354.45	6.31	-112.20
CC(CNC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013441254	1	40	-2.0	-103.63	331.76	4.91	-98.72
CC(C)C(CNC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013441255	1	46	-2.0	-112.67	369.68	6.06	-106.61
CC(NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013441256	1	53	-2.0	-106.15	409.30	8.04	-98.11
CC(CNC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013441257	1	50	-2.0	-114.75	397.39	8.48	-106.27
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)S2	REAL300013441258	1	44	-2.0	-98.32	355.33	6.20	-92.12
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC(CCC(=O)[O-])CC1)S2	REAL300013441259	1	50	-2.0	-99.13	390.72	9.15	-89.98
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)S2	REAL300013441260	1	46	-2.0	-114.68	367.80	5.69	-108.99
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCCC1)S2	REAL300013441261	1	47	-2.0	-113.97	372.36	6.97	-107.00
CC1CN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)CCC1C(=O)[O-]	REAL300013441262	1	47	-2.0	-100.15	363.28	8.44	-91.71
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCC1)S2	REAL300013441263	1	44	-2.0	-112.19	355.30	6.12	-106.07
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC(CC(=O)[O-])C1CC1)S2	REAL300013441264	1	47	-2.0	-110.37	379.41	6.91	-103.46
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)S2	REAL300013441265	1	47	-2.0	-103.16	364.11	8.02	-95.14
CC(C)C[C@H](CNC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)CC(=O)[O-]	REAL300013441266	1	52	-2.0	-101.39	405.82	7.51	-93.88
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CC1)S2	REAL300013441267	1	41	-2.0	-112.08	339.56	5.86	-106.22
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC1=CC=CC=C1C(=O)[O-])S2	REAL300013441268	1	44	-2.0	-123.61	365.28	7.14	-116.47
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1	REAL300013441269	1	48	-2.0	-111.11	385.91	6.22	-104.89
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)S2	REAL300013441270	1	41	-2.0	-99.98	339.34	5.48	-94.50
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC[C@@H](C(=O)[O-])C1)S2	REAL300013441272	1	44	-2.0	-105.82	350.13	7.69	-98.13
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC[C@H](C(=O)[O-])C1)S2	REAL300013441273	1	44	-2.0	-106.14	351.26	7.74	-98.40
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1CC(C(=O)[O-])C1)S2	REAL300013441274	1	41	-2.0	-100.09	339.38	5.47	-94.62
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)S2	REAL300013441275	1	41	-2.0	-99.09	338.87	5.53	-93.56
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)S2	REAL300013441276	1	44	-2.0	-104.70	371.67	7.02	-97.68
CCC(CNC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013441277	1	43	-2.0	-110.50	347.98	5.80	-104.70
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCCCC1CCC(=O)[O-])S2	REAL300013441278	1	50	-2.0	-118.83	384.00	9.09	-109.74
CC1(C)CCCC2=C1N=C([N-]C(=O)NCCCCCCCC(=O)[O-])S2	REAL300013441279	1	52	-2.0	-95.98	419.90	8.04	-87.94
CC1(C)CCCC2=C1N=C([N-]C(=O)NCCCCCCC(=O)[O-])S2	REAL300013441280	1	49	-2.0	-97.27	398.40	7.26	-90.01
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013441281	1	43	-2.0	-107.63	353.65	7.59	-100.04
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCCC(C)(C(=O)[O-])C1)S2	REAL300013441282	1	47	-2.0	-105.34	365.59	8.45	-96.89
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1	REAL300013441283	1	51	-2.0	-108.19	396.99	8.24	-99.95
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013441284	1	47	-2.0	-112.44	385.35	6.94	-105.50
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCCC(CCC(=O)[O-])C1)S2	REAL300013441285	1	50	-2.0	-103.56	390.97	9.15	-94.41
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CC3=CC=CC=C3C(C(=O)[O-])C1)S2	REAL300013441286	1	48	-2.0	-126.52	383.49	10.27	-116.25
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCN(C(=O)C(=O)[O-])CC1)S2	REAL300013441287	1	45	-2.0	-94.27	363.20	6.50	-87.77
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013441288	1	47	-2.0	-109.95	367.24	8.33	-101.62
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C1)S2	REAL300013441289	1	51	-2.0	-124.02	412.82	10.12	-113.90
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCCC(O)(C(=O)[O-])C1)S2	REAL300013441290	1	45	-2.0	-104.08	360.24	5.27	-98.81
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1CC(C(=O)[O-])C3=CC=CC=C31)S2	REAL300013441291	1	48	-2.0	-101.95	394.35	8.24	-93.71
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1CCCCN(CC(=O)[O-])C1=O)S2	REAL300013441292	1	51	-2.0	-132.94	399.97	7.22	-125.72
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1=CN(CC(=O)[O-])C=N1)S2	REAL300013441293	0	41	-2.0	-104.39	348.38	7.64	-96.75
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)CC1	REAL300013441294	1	51	-2.0	-105.40	394.30	7.88	-97.52
CC1(C)CCCC2=C1N=C([N-]C(=O)NC13CC(C(=O)[O-])(C1)C3)S2	REAL300013441295	1	42	-2.0	-101.39	349.18	5.71	-95.68
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC1(CC(=O)[O-])CCCCC1)S2	REAL300013441296	1	53	-2.0	-100.84	395.03	7.70	-93.14
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)S2	REAL300013441297	1	47	-2.0	-105.11	368.55	7.08	-98.03
CC1(C)CCCC2=C1N=C([N-]C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)S2	REAL300013441298	1	50	-2.0	-97.64	394.10	7.43	-90.21
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC(CC(=O)[O-])CC1)S2	REAL300013441299	1	47	-2.0	-98.98	368.41	8.37	-90.61
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC(OCC(=O)[O-])CC1)S2	REAL300013441300	1	48	-2.0	-100.16	385.03	7.79	-92.37
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)S2	REAL300013441301	1	47	-2.0	-99.87	373.77	6.68	-93.19
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1CCCC(C(=O)[O-])C1)S2	REAL300013441302	1	47	-2.0	-100.31	374.31	6.69	-93.62
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCCOC1)S2	REAL300013441303	1	48	-2.0	-113.40	376.25	5.26	-108.14
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCOC1)S2	REAL300013441304	1	45	-2.0	-108.05	360.34	4.39	-103.66
CC1(C)CCCC2=C1N=C([N-]C(=O)N1C3CCC1C(C(=O)[O-])C3)S2	REAL300013441305	1	45	-2.0	-101.23	354.95	7.86	-93.37
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)S2	REAL300013441306	1	42	-2.0	-104.43	350.85	6.20	-98.23
CC1(C)CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CC1)S2	REAL300013441307	1	41	-2.0	-112.08	339.56	5.86	-106.22
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CC(C(=O)[O-])C3(CCC3)C1)S2	REAL300013441308	1	48	-2.0	-105.00	378.15	8.31	-96.69
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)S2	REAL300013441309	1	44	-2.0	-101.96	370.27	7.37	-94.59
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCOC(C)(C(=O)[O-])C1)S2	REAL300013441310	1	45	-2.0	-104.02	358.45	6.94	-97.08
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C1	REAL300013441311	1	48	-2.0	-103.67	383.35	6.69	-96.98
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1=CC=C3C(=C1)C=CN3CC(=O)[O-])S2	REAL300013441312	0	48	-2.0	-102.83	401.27	9.13	-93.70
CC1(C)CCCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])C1)S2	REAL300013441313	1	41	-2.0	-102.36	336.12	6.60	-95.76
CC1(C)CCCC2=C1N=C([N-]C(=O)N[C@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)S2	REAL300013441314	1	42	-2.0	-100.96	349.80	6.22	-94.74
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1(CC(=O)[O-])CCCCC1)S2	REAL300013441315	1	50	-2.0	-120.54	378.07	8.10	-112.44
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300013441316	1	43	-2.0	-101.49	353.66	5.91	-95.58
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013443445	1	43	-2.0	-101.91	364.54	6.72	-95.19
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013443446	0	43	-2.0	-97.25	380.57	6.64	-90.61
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013443447	1	43	-2.0	-97.31	384.87	5.98	-91.33
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013443448	1	45	-2.0	-95.38	372.99	4.84	-90.54
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013443449	1	41	-2.0	-102.72	355.43	5.15	-97.57
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013443450	1	46	-2.0	-98.93	386.83	5.70	-93.23
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013443451	1	42	-2.0	-99.37	368.61	4.64	-94.73
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013443452	1	43	-2.0	-103.35	384.19	6.02	-97.33
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013443453	1	36	-2.0	-102.95	325.61	3.07	-99.88
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013443454	1	45	-2.0	-97.27	390.11	5.43	-91.84
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013443455	1	40	-2.0	-100.97	353.71	1.36	-99.61
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013443456	1	42	-2.0	-104.09	361.05	4.53	-99.56
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013443457	0	46	-2.0	-94.16	401.96	7.44	-86.72
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013443458	1	43	-2.0	-113.09	367.11	6.12	-106.97
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013443459	1	42	-2.0	-102.96	359.44	6.04	-96.92
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013443460	1	46	-2.0	-108.03	380.15	7.51	-100.52
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013443461	1	46	-2.0	-100.49	375.81	6.95	-93.54
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013443462	1	39	-2.0	-98.50	347.11	3.86	-94.64
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013443463	1	46	-2.0	-105.90	382.18	7.26	-98.64
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013443464	1	47	-2.0	-108.74	386.52	4.07	-104.67
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013443465	1	45	-2.0	-98.69	380.40	4.75	-93.94
CCC(CC)(CNC(=O)[N-]C1=NC(C(C)(C)C(=O)OC)=CS1)C(=O)[O-]	REAL300013443466	1	48	-2.0	-113.32	392.70	5.55	-107.77
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013443467	1	43	-2.0	-113.97	366.38	5.34	-108.63
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013443468	1	39	-2.0	-101.64	344.32	3.91	-97.73
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013443469	1	45	-2.0	-111.22	382.90	5.02	-106.20
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013443470	1	52	-2.0	-104.28	418.84	6.46	-97.82
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013443471	1	43	-2.0	-96.47	367.88	5.19	-91.28
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013443472	1	49	-2.0	-99.13	403.84	8.12	-91.01
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013443473	1	45	-2.0	-99.82	379.59	4.79	-95.03
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013443474	1	46	-2.0	-110.41	383.15	5.69	-104.72
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013443475	1	46	-2.0	-101.71	382.19	7.28	-94.43
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013443476	1	43	-2.0	-109.74	366.94	5.27	-104.47
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013443477	1	46	-2.0	-107.97	391.93	5.92	-102.05
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013443478	1	46	-2.0	-100.49	375.81	6.95	-93.54
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013443479	1	51	-2.0	-111.05	412.94	6.28	-104.77
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013443480	1	40	-2.0	-109.14	352.08	4.84	-104.30
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013443481	1	43	-2.0	-121.07	377.79	6.14	-114.93
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C(C)(C)C(=O)OC)=CS2)C1	REAL300013443482	1	47	-2.0	-115.62	400.68	5.17	-110.45
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013443483	1	40	-2.0	-98.00	351.56	4.47	-93.53
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013443485	1	43	-2.0	-105.78	363.34	6.66	-99.12
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013443486	1	43	-2.0	-105.90	364.48	6.71	-99.19
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013443487	1	40	-2.0	-98.35	351.89	4.47	-93.88
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013443488	1	40	-2.0	-97.46	351.41	4.52	-92.94
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013443489	1	43	-2.0	-103.35	384.19	6.02	-97.33
CCC(CNC(=O)[N-]C1=NC(C(C)(C)C(=O)OC)=CS1)C(=O)[O-]	REAL300013443490	1	42	-2.0	-109.82	361.10	4.63	-105.19
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013443491	1	49	-2.0	-118.86	397.82	8.07	-110.79
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013443492	1	51	-2.0	-96.37	433.11	6.99	-89.38
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013443493	1	48	-2.0	-97.72	411.61	6.21	-91.51
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013443494	1	46	-2.0	-103.87	378.46	7.44	-96.43
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C(C)(C)C(=O)OC)=CS2)C1	REAL300013443495	1	50	-2.0	-108.10	410.47	6.61	-101.49
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013443496	1	49	-2.0	-102.49	403.46	8.16	-94.33
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013443497	1	44	-2.0	-92.16	375.29	5.39	-86.77
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013443498	1	46	-2.0	-108.75	379.23	7.24	-101.51
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013443499	1	44	-2.0	-102.30	372.78	4.29	-98.01
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013443500	0	40	-2.0	-102.56	360.90	6.64	-95.92
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C(C)(C)C(=O)OC)=CS2)CC1	REAL300013443501	1	50	-2.0	-103.98	406.80	6.90	-97.08
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013443502	1	41	-2.0	-101.62	362.32	4.66	-96.96
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013443503	1	52	-2.0	-114.40	407.85	6.66	-107.74
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013443504	1	46	-2.0	-102.88	382.42	6.13	-96.75
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013443505	1	49	-2.0	-97.34	405.94	6.36	-90.98
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013443506	1	46	-2.0	-99.84	381.53	7.34	-92.50
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013443507	1	47	-2.0	-100.04	398.13	6.76	-93.28
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013443508	1	46	-2.0	-98.65	386.85	5.69	-92.96
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013443509	1	46	-2.0	-98.63	381.88	6.10	-92.53
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013443510	1	47	-2.0	-111.94	389.45	4.23	-107.71
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013443511	1	44	-2.0	-106.75	373.57	3.24	-103.51
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013443512	1	44	-2.0	-125.01	371.55	6.94	-118.07
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013443513	1	41	-2.0	-102.41	363.08	5.20	-97.21
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013443514	1	40	-2.0	-109.14	352.08	4.84	-104.30
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013443515	1	47	-2.0	-102.86	391.81	7.36	-95.50
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013443516	1	44	-2.0	-103.99	371.68	5.90	-98.09
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013443517	1	47	-2.0	-102.10	395.91	5.70	-96.40
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013443518	1	40	-2.0	-100.46	348.72	5.60	-94.86
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013443519	1	41	-2.0	-101.48	363.30	5.17	-96.31
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013443520	1	49	-2.0	-118.61	391.27	7.04	-111.57
COC(=O)C(C)(C)C1=CSC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013443521	1	42	-2.0	-100.94	366.87	4.86	-96.08
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])CC1)S2	REAL300013443586	1	47	-2.0	-102.14	389.11	8.48	-93.66
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S2	REAL300013443587	1	49	-2.0	-96.44	398.20	6.54	-89.90
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCOC(C(=O)[O-])C1)S2	REAL300013443588	1	45	-2.0	-103.57	380.69	6.85	-96.72
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NC1CCC(C(=O)[O-])CC1)S2	REAL300013443589	1	50	-2.0	-99.57	412.04	7.39	-92.18
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCCCCC(=O)[O-])S2	REAL300013443590	1	46	-2.0	-98.62	393.16	6.39	-92.23
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCCC(=O)[O-])S2	REAL300013443591	1	40	-2.0	-102.39	350.16	4.82	-97.57
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCCCCCC(=O)[O-])S2	REAL300013443592	1	49	-2.0	-96.54	414.66	7.18	-89.36
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S2	REAL300013443593	1	44	-2.0	-100.35	378.67	3.15	-97.20
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S2	REAL300013443594	1	46	-2.0	-103.20	385.02	6.29	-96.91
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCC(C)(C(=O)[O-])C1)S2	REAL300013443595	1	47	-2.0	-100.73	391.68	7.82	-92.91
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S2	REAL300013443596	1	46	-2.0	-106.85	384.23	8.03	-98.82
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CC(C)CC(C(=O)[O-])C1)S2	REAL300013443597	1	50	-2.0	-107.91	404.02	9.22	-98.69
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)S2	REAL300013443598	1	50	-2.0	-102.30	401.00	8.66	-93.64
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCCCC(=O)[O-])S2	REAL300013443599	1	43	-2.0	-97.88	371.66	5.61	-92.27
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCC(C)C(C(=O)[O-])C1)S2	REAL300013443600	1	50	-2.0	-105.18	403.77	8.84	-96.34
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S2	REAL300013443601	1	49	-2.0	-98.05	404.95	6.50	-91.55
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCC(CC)(CC)C(=O)[O-])S2	REAL300013443602	1	52	-2.0	-112.15	414.60	7.63	-104.52
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NC1(CC(=O)[O-])CCC1)S2	REAL300013443603	1	47	-2.0	-114.45	391.59	7.04	-107.41
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCC(C)C(=O)[O-])S2	REAL300013443604	1	43	-2.0	-102.76	368.71	5.57	-97.19
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S2	REAL300013443605	1	49	-2.0	-111.88	407.45	6.76	-105.12
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)S2	REAL300013443606	1	47	-2.0	-97.18	393.05	6.81	-90.37
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCCC1)S2	REAL300013443607	1	50	-2.0	-113.24	410.15	7.66	-105.58
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])C(C)C1)S2	REAL300013443608	1	50	-2.0	-99.76	401.00	9.14	-90.62
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCC1)S2	REAL300013443609	1	47	-2.0	-111.67	392.14	6.97	-104.70
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCC(CC(=O)[O-])C1CC1)S2	REAL300013443610	1	50	-2.0	-109.03	417.20	7.61	-101.42
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)S2	REAL300013443611	1	50	-2.0	-102.30	401.00	8.66	-93.64
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CC1)S2	REAL300013443612	1	44	-2.0	-111.28	377.34	6.54	-104.74
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)S2	REAL300013443613	1	44	-2.0	-99.40	376.77	6.17	-93.23
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCC[C@@H](C(=O)[O-])C1)S2	REAL300013443614	1	47	-2.0	-104.98	387.89	8.39	-96.59
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCC[C@H](C(=O)[O-])C1)S2	REAL300013443615	1	47	-2.0	-105.25	389.02	8.44	-96.81
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NC1CC(C(=O)[O-])C1)S2	REAL300013443616	1	44	-2.0	-99.37	376.73	6.17	-93.20
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)S2	REAL300013443617	1	44	-2.0	-98.56	376.56	6.22	-92.34
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCC(CC)C(=O)[O-])S2	REAL300013443618	1	46	-2.0	-110.03	390.66	6.28	-103.75
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCCCCCCC(=O)[O-])S2	REAL300013443619	1	52	-2.0	-96.84	436.16	7.96	-88.88
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCCC(C)(C(=O)[O-])C1)S2	REAL300013443620	1	50	-2.0	-104.40	403.34	9.14	-95.26
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CC(C(=O)[O-])CCC1C)S2	REAL300013443621	1	50	-2.0	-108.53	403.76	8.97	-99.56
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCCC(O)(C(=O)[O-])C1)S2	REAL300013443622	1	48	-2.0	-103.09	397.98	5.96	-97.13
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NC1=CN(CC(=O)[O-])C=N1)S2	REAL300013443623	0	44	-2.0	-103.36	386.16	8.34	-95.02
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NC13CC(C(=O)[O-])(C1)C3)S2	REAL300013443624	1	45	-2.0	-100.66	386.91	6.40	-94.26
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)S2	REAL300013443625	1	50	-2.0	-104.99	407.64	7.82	-97.17
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCC(CC(=O)[O-])CC1)S2	REAL300013443626	1	50	-2.0	-99.48	406.11	9.09	-90.39
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)S2	REAL300013443627	1	50	-2.0	-99.51	412.07	7.39	-92.12
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NC1CCCC(C(=O)[O-])C1)S2	REAL300013443628	1	50	-2.0	-99.73	412.04	7.39	-92.34
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCOC1)S2	REAL300013443629	1	48	-2.0	-108.62	398.80	4.95	-103.67
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1C3CCC1C(C(=O)[O-])C3)S2	REAL300013443630	1	48	-2.0	-100.25	392.72	8.56	-91.69
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)S2	REAL300013443631	1	45	-2.0	-103.88	388.32	6.90	-96.98
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CC1)S2	REAL300013443632	1	44	-2.0	-111.28	377.34	6.54	-104.74
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCOC(C)(C(=O)[O-])C1)S2	REAL300013443633	1	48	-2.0	-103.20	396.26	7.65	-95.55
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])C1)S2	REAL300013443634	1	44	-2.0	-101.55	373.87	7.30	-94.25
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)N[C@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)S2	REAL300013443635	1	45	-2.0	-100.53	387.86	6.92	-93.61
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)NC(C)CCC(=O)[O-])S2	REAL300013443636	1	46	-2.0	-100.97	391.42	6.61	-94.36
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446649	0	30	-2.0	-96.83	282.50	4.41	-92.42
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NN=C(C(F)F)S2)=C1	REAL300013446650	0	30	-2.0	-93.58	299.17	4.27	-89.31
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NN=C(C(F)F)S2)C=C1	REAL300013446651	0	30	-2.0	-93.56	302.45	3.68	-89.88
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C(F)F)S1	REAL300013446652	0	32	-2.0	-91.19	291.61	2.49	-88.70
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C(F)F)S2)CCO1	REAL300013446653	0	28	-2.0	-100.32	274.08	2.77	-97.55
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446654	0	33	-2.0	-96.02	305.48	3.32	-92.70
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C(F)F)S2)=CC=C1	REAL300013446655	0	30	-2.0	-101.22	302.46	3.67	-97.55
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(C(F)F)S1	REAL300013446656	0	32	-2.0	-92.15	308.07	3.11	-89.04
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446657	0	40	-2.0	-101.98	353.49	7.68	-94.30
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NN=C(C(F)F)S2)=C1	REAL300013446658	0	33	-2.0	-90.65	320.28	5.12	-85.53
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446659	0	30	-2.0	-110.09	284.68	3.82	-106.27
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446660	0	33	-2.0	-101.12	302.40	4.93	-96.19
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446661	0	33	-2.0	-98.69	294.04	4.62	-94.07
CC1CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)CC1C(=O)[O-]	REAL300013446662	0	33	-2.0	-106.13	300.40	4.90	-101.23
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C(F)F)S2)CCOCC1	REAL300013446663	0	34	-2.0	-102.84	303.54	1.74	-101.10
CC(C)(CCNC(=O)[N-]C1=NN=C(C(F)F)S1)C(=O)[O-]	REAL300013446664	0	32	-2.0	-92.79	298.36	2.43	-90.36
CCC(CC)(CNC(=O)[N-]C1=NN=C(C(F)F)S1)C(=O)[O-]	REAL300013446665	0	35	-2.0	-105.65	310.67	3.23	-102.42
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C(F)F)S2)CCC1	REAL300013446666	0	30	-2.0	-111.12	284.64	3.00	-108.12
O=C([O-])C1CC(=O)N(C2CCN(C(=O)[N-]C3=NN=C(C(F)F)S3)CC2)C1	REAL300013446667	0	41	-2.0	-93.81	361.34	5.17	-88.64
CC(C)C(CNC(=O)[N-]C1=NN=C(C(F)F)S1)C(=O)[O-]	REAL300013446668	0	32	-2.0	-103.68	294.60	2.84	-100.84
CC(NC(=O)[N-]C1=NN=C(C(F)F)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013446669	0	39	-2.0	-104.22	340.08	4.69	-99.53
CC(CNC(=O)[N-]C1=NN=C(C(F)F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013446670	0	36	-2.0	-106.47	328.57	5.11	-101.36
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446671	0	30	-2.0	-94.40	286.10	2.84	-91.56
O=C([O-])CCC1CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446672	0	36	-2.0	-94.11	321.81	5.80	-88.31
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NN=C(C(F)F)S1)C2	REAL300013446673	0	32	-2.0	-109.10	298.90	2.33	-106.77
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C(F)F)S2)CCCC1	REAL300013446674	0	33	-2.0	-108.08	303.15	3.61	-104.47
CC1CN(C(=O)[N-]C2=NN=C(C(F)F)S2)CCC1C(=O)[O-]	REAL300013446675	0	33	-2.0	-95.94	294.02	5.09	-90.85
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C(F)F)S2)CCC1	REAL300013446676	0	30	-2.0	-105.82	286.07	2.77	-103.05
O=C([O-])CC(CNC(=O)[N-]C1=NN=C(C(F)F)S1)C1CC1	REAL300013446677	0	33	-2.0	-94.14	302.83	4.14	-90.00
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446678	0	33	-2.0	-98.69	294.04	4.62	-94.07
CC(C)C[C@H](CNC(=O)[N-]C1=NN=C(C(F)F)S1)CC(=O)[O-]	REAL300013446679	0	38	-2.0	-107.94	331.59	3.93	-104.01
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NN=C(C(F)F)S1	REAL300013446680	0	30	-2.0	-118.95	296.05	3.79	-115.16
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446681	0	34	-2.0	-108.83	316.70	2.88	-105.95
O=C([O-])CN1CCC(NC(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446682	0	35	-2.0	-91.16	318.57	1.17	-89.99
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NN=C(C(F)F)S3)C2)C=N1	REAL300013446683	0	40	-2.0	-120.89	359.30	5.80	-115.09
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446684	0	30	-2.0	-101.74	281.99	4.35	-97.39
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446685	0	30	-2.0	-101.96	282.44	4.37	-97.59
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C(F)F)S2)=CC=C1	REAL300013446686	0	30	-2.0	-101.22	302.46	3.67	-97.55
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NN=C(C(F)F)S1)CC2C(=O)[O-]	REAL300013446687	0	40	-2.0	-101.40	364.96	5.67	-95.73
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NN=C(C(F)F)S1	REAL300013446688	0	36	-2.0	-119.04	314.78	5.73	-113.31
O=C([O-])CCCCCCCNC(=O)[N-]C1=NN=C(C(F)F)S1	REAL300013446689	0	38	-2.0	-91.45	351.07	4.67	-86.78
O=C([O-])CCCCCCNC(=O)[N-]C1=NN=C(C(F)F)S1	REAL300013446690	0	35	-2.0	-93.10	329.57	3.89	-89.21
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446691	0	33	-2.0	-101.39	297.04	5.08	-96.31
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446692	0	37	-2.0	-105.70	329.08	4.24	-101.46
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C(F)F)S1	REAL300013446693	0	33	-2.0	-102.20	316.51	3.57	-98.63
O=C([O-])[C@]12CN(C(=O)[N-]C3=NN=C(C(F)F)S3)C[C@H]1C1=CC=CC=C1OC2	REAL300013446694	0	39	-2.0	-108.38	353.46	5.64	-102.74
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446695	0	36	-2.0	-99.82	322.10	5.77	-94.05
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C(F)F)S2)CC2=CC=CC=C21	REAL300013446696	0	34	-2.0	-123.38	314.27	6.97	-116.41
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NN=C(C(F)F)S2)CCO1	REAL300013446697	0	41	-2.0	-94.56	369.40	3.96	-90.60
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446698	0	31	-2.0	-88.14	293.90	3.02	-85.12
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(C(F)F)S1	REAL300013446699	0	33	-2.0	-100.54	298.41	4.96	-95.58
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NN=C(C(F)F)S2)C[C@H]1C1=CC=CC=C1	REAL300013446700	0	37	-2.0	-103.08	343.86	6.79	-96.29
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446701	0	31	-2.0	-99.70	291.34	1.89	-97.81
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C(F)F)S2)C2=CC=CC=C21	REAL300013446702	0	34	-2.0	-98.20	325.13	4.89	-93.31
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NN=C(C(F)F)S2)C1=O	REAL300013446703	0	37	-2.0	-127.80	331.14	3.86	-123.94
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C(C(F)F)S2)=C1	REAL300013446704	0	27	-2.0	-99.85	279.54	4.27	-95.58
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446705	0	37	-2.0	-99.60	326.61	3.76	-95.84
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(C(F)F)S3)(C1)C2	REAL300013446706	0	28	-2.0	-97.40	280.28	2.34	-95.06
O=C([O-])CC1(CNC(=O)[N-]C2=NN=C(C(F)F)S2)CCCCC1	REAL300013446707	0	39	-2.0	-109.88	326.32	4.34	-105.54
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446708	0	33	-2.0	-97.86	299.72	3.71	-94.15
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446709	0	36	-2.0	-92.51	325.22	4.06	-88.45
O=C([O-])CC1CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446710	0	33	-2.0	-93.47	299.50	5.02	-88.45
O=C([O-])COC1CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)CC1	REAL300013446711	0	34	-2.0	-95.26	316.10	4.44	-90.82
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446712	0	33	-2.0	-94.23	304.95	3.31	-90.92
O=C([O-])C1CCCC(NC(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446713	0	33	-2.0	-94.60	305.47	3.32	-91.28
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C(F)F)S2)CCCOC1	REAL300013446714	0	34	-2.0	-107.58	307.02	1.92	-105.66
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C(F)F)S2)CCOC1	REAL300013446715	0	31	-2.0	-100.16	291.51	1.03	-99.13
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NN=C(C(F)F)S1	REAL300013446716	0	31	-2.0	-96.55	286.28	4.47	-92.08
CC(C)(CC1=CC=C(CNC(=O)[N-]C2=NN=C(C(F)F)S2)C=C1)C(=O)[O-]	REAL300013446717	0	42	-2.0	-91.52	377.09	6.06	-85.46
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NN=C(C(F)F)S1)C2	REAL300013446718	0	28	-2.0	-99.71	281.56	2.84	-96.87
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C(F)F)S2)CC12CCC2	REAL300013446719	0	34	-2.0	-96.97	309.31	4.95	-92.02
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446720	0	30	-2.0	-104.95	301.71	4.03	-100.92
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C(F)F)S2)CCO1	REAL300013446721	0	31	-2.0	-99.93	289.64	3.58	-96.35
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C(F)F)S2)C1	REAL300013446722	0	34	-2.0	-102.08	314.13	3.34	-98.74
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NN=C(C(F)F)S3)=CC=C21	REAL300013446723	0	34	-2.0	-101.08	332.04	5.79	-95.29
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(C(F)F)S1)C2	REAL300013446724	0	28	-2.0	-96.21	280.96	2.85	-93.36
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C(F)F)S2)CCCCC1	REAL300013446725	0	36	-2.0	-112.68	309.23	4.72	-107.96
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450755	0	41	-2.0	-104.55	344.23	5.02	-99.53
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)=C1	REAL300013450756	0	41	-2.0	-101.19	360.90	4.88	-96.31
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NN=C(C3CCOCC3)S2)C=C1	REAL300013450757	0	41	-2.0	-98.53	364.56	4.27	-94.26
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450758	0	43	-2.0	-98.59	353.34	3.09	-95.50
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CCO1	REAL300013450759	0	39	-2.0	-109.01	335.81	3.38	-105.63
CN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450760	0	37	-2.0	-110.55	325.05	4.01	-106.54
O=C([N-]C1=NN=C(C2CCOCC2)S1)NC1CCC(C(=O)[O-])CC1	REAL300013450761	0	44	-2.0	-104.09	367.20	3.94	-100.15
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450762	0	40	-2.0	-102.61	348.30	2.94	-99.67
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C3CCOCC3)S2)=CC=C1	REAL300013450763	0	41	-2.0	-106.51	364.57	4.26	-102.25
O=C([O-])CCNC(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450764	0	34	-2.0	-107.02	305.30	1.36	-105.66
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450765	0	43	-2.0	-99.44	369.80	3.72	-95.72
CC(O)(CNC(=O)[N-]C1=NN=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013450766	0	38	-2.0	-104.63	333.81	-0.30	-104.93
CC(C)(CNC(=O)[N-]C1=NN=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013450767	0	40	-2.0	-108.33	340.16	2.82	-105.51
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)=C1	REAL300013450768	0	44	-2.0	-98.03	382.30	5.68	-92.35
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450769	0	41	-2.0	-117.12	346.79	4.41	-112.71
CC(CN(C)C(=O)[N-]C1=NN=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013450770	0	40	-2.0	-106.94	339.13	4.33	-102.61
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450771	0	44	-2.0	-106.89	359.84	5.78	-101.11
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450772	0	44	-2.0	-104.79	356.15	5.21	-99.58
O=C([O-])CCCNC(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450773	0	37	-2.0	-100.70	326.80	2.15	-98.55
CC1CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1C(=O)[O-]	REAL300013450774	0	44	-2.0	-112.40	362.52	5.49	-106.91
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CCOCC1	REAL300013450775	0	45	-2.0	-111.50	365.27	2.35	-109.15
CC(C)(CCNC(=O)[N-]C1=NN=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013450776	0	43	-2.0	-100.46	359.51	3.02	-97.44
CCC(CC)(CNC(=O)[N-]C1=NN=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013450777	0	46	-2.0	-114.42	372.40	3.84	-110.58
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CCC1	REAL300013450778	0	41	-2.0	-117.72	346.75	3.59	-114.13
CC(CNC(=O)[N-]C1=NN=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013450779	0	37	-2.0	-107.23	322.98	2.10	-105.13
CC(C)C(CNC(=O)[N-]C1=NN=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013450780	0	43	-2.0	-113.50	362.59	3.30	-110.20
CC(NC(=O)[N-]C1=NN=C(C2CCOCC2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013450781	0	50	-2.0	-109.79	402.20	5.28	-104.51
CC(CNC(=O)[N-]C1=NN=C(C2CCOCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013450782	0	47	-2.0	-115.48	390.30	5.71	-109.77
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450783	0	41	-2.0	-100.01	348.23	3.44	-96.57
O=C([O-])CCC1CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450784	0	47	-2.0	-101.32	383.54	6.41	-94.91
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NN=C(C3CCOCC3)S1)C2	REAL300013450785	0	43	-2.0	-118.34	360.63	2.94	-115.40
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CCCC1	REAL300013450786	0	44	-2.0	-114.78	365.26	4.21	-110.57
CC1CN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CCC1C(=O)[O-]	REAL300013450787	0	44	-2.0	-101.94	356.13	5.68	-96.26
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CCC1	REAL300013450788	0	41	-2.0	-112.33	348.18	3.36	-108.97
O=C([O-])CC(CNC(=O)[N-]C1=NN=C(C2CCOCC2)S1)C1CC1	REAL300013450789	0	44	-2.0	-114.52	372.31	4.15	-110.37
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450790	0	44	-2.0	-104.79	356.15	5.21	-99.58
CC(C)C[C@H](CNC(=O)[N-]C1=NN=C(C2CCOCC2)S1)CC(=O)[O-]	REAL300013450791	0	49	-2.0	-116.27	393.30	4.58	-111.69
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450792	0	38	-2.0	-112.00	332.45	3.09	-108.91
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450793	0	41	-2.0	-125.60	358.17	4.38	-121.22
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450794	0	45	-2.0	-118.30	380.37	3.46	-114.84
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450795	0	38	-2.0	-101.93	331.88	2.71	-99.22
O=C([O-])CN1CCC(NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450796	0	46	-2.0	-98.64	380.31	1.78	-96.86
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450797	0	41	-2.0	-110.76	343.72	4.96	-105.80
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450798	0	41	-2.0	-110.91	344.17	4.98	-105.93
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450799	0	38	-2.0	-102.08	332.27	2.71	-99.37
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450800	0	38	-2.0	-101.51	332.10	2.75	-98.76
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C3CCOCC3)S2)=CC=C1	REAL300013450801	0	41	-2.0	-106.51	364.57	4.26	-102.25
CCC(CNC(=O)[N-]C1=NN=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013450802	0	40	-2.0	-112.22	345.80	2.82	-109.40
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450803	0	47	-2.0	-126.23	376.89	6.32	-119.91
O=C([O-])CCCCCCCNC(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450804	0	49	-2.0	-98.74	412.80	5.28	-93.46
O=C([O-])CCCCCCNC(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450805	0	46	-2.0	-100.57	391.30	4.50	-96.07
CN(CCCC(=O)[O-])C(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450806	0	40	-2.0	-111.61	346.55	4.82	-106.79
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450807	0	44	-2.0	-110.30	358.77	5.69	-104.61
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450808	0	48	-2.0	-114.52	390.81	4.85	-109.67
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450809	0	44	-2.0	-109.57	378.23	4.18	-105.39
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450810	0	47	-2.0	-108.34	383.83	6.38	-101.96
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC2=CC=CC=C21	REAL300013450811	0	45	-2.0	-131.50	376.39	7.56	-123.94
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450812	0	42	-2.0	-95.76	356.01	3.73	-92.03
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450813	0	44	-2.0	-108.09	360.13	5.57	-102.52
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450814	0	42	-2.0	-108.37	353.14	2.50	-105.87
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)C2=CC=CC=C21	REAL300013450815	0	45	-2.0	-104.00	387.25	5.48	-98.52
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1=O	REAL300013450816	0	48	-2.0	-138.04	392.87	4.46	-133.58
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)=C1	REAL300013450817	0	38	-2.0	-108.63	341.27	4.88	-103.75
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450818	0	48	-2.0	-107.29	387.11	5.11	-102.18
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(C4CCOCC4)S3)(C1)C2	REAL300013450819	0	39	-2.0	-105.97	342.01	2.94	-103.03
O=C([O-])CC1(CNC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CCCCC1	REAL300013450820	0	50	-2.0	-119.16	388.05	4.95	-114.21
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450821	0	44	-2.0	-105.44	361.46	4.32	-101.12
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450822	0	47	-2.0	-99.10	385.62	4.64	-94.46
O=C([O-])CC1CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450823	0	44	-2.0	-100.84	361.22	5.63	-95.21
O=C([O-])COC1CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450824	0	45	-2.0	-102.44	377.83	5.05	-97.39
O=C([N-]C1=NN=C(C2CCOCC2)S1)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013450825	0	44	-2.0	-102.41	367.20	3.93	-98.48
O=C([N-]C1=NN=C(C2CCOCC2)S1)NC1CCCC(C(=O)[O-])C1	REAL300013450826	0	44	-2.0	-102.09	366.68	3.92	-98.17
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CCCOC1	REAL300013450827	0	45	-2.0	-114.31	369.14	2.51	-111.80
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CCOC1	REAL300013450828	0	42	-2.0	-110.42	353.95	1.49	-108.93
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450829	0	42	-2.0	-105.13	348.01	5.08	-100.05
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NN=C(C3CCOCC3)S1)C2	REAL300013450830	0	39	-2.0	-105.36	343.68	3.43	-101.93
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC1	REAL300013450831	0	38	-2.0	-112.00	332.45	3.09	-108.91
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CC12CCC2	REAL300013450832	0	45	-2.0	-104.88	371.04	5.56	-99.32
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450833	0	41	-2.0	-104.81	363.14	4.62	-100.19
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)CCO1	REAL300013450834	0	42	-2.0	-108.58	351.37	4.19	-104.39
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450835	0	45	-2.0	-108.22	376.25	3.93	-104.29
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3CCOCC3)S2)C1	REAL300013450836	0	38	-2.0	-106.51	328.71	3.83	-102.68
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(C3CCOCC3)S1)C2	REAL300013450837	0	39	-2.0	-104.37	342.69	3.46	-100.91
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3CCOCC3)S2)CCCCC1	REAL300013450838	0	47	-2.0	-122.08	370.97	5.33	-116.75
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2CCOCC2)S1	REAL300013450839	0	40	-2.0	-103.08	346.56	3.15	-99.93
O=C([O-])C1CCN(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC1	REAL300013451172	1	34	-2.0	-97.22	310.94	6.14	-91.08
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)=C1	REAL300013451173	0	34	-2.0	-93.84	327.61	5.98	-87.86
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C=C1	REAL300013451174	1	34	-2.0	-92.20	331.26	5.38	-86.82
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013451175	1	36	-2.0	-91.66	320.04	4.19	-87.47
O=C([O-])C1CN(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCO1	REAL300013451176	1	32	-2.0	-98.30	302.52	4.50	-93.80
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC1	REAL300013451177	1	37	-2.0	-94.48	333.92	5.03	-89.45
O=C([O-])CCCCNC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013451178	1	33	-2.0	-93.64	315.00	4.04	-89.60
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)=CC=C1	REAL300013451179	1	34	-2.0	-99.60	331.27	5.37	-94.23
O=C([O-])CCCCCNC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300013451180	1	36	-2.0	-91.90	336.50	4.82	-87.08
CC(O)(CNC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013451181	1	31	-2.0	-95.17	300.09	0.75	-94.42
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CC1=C(C2CCCCC2)N=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013453717	1	48	-2.0	-108.69	384.27	5.18	-103.51
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013453718	1	48	-2.0	-126.63	384.02	8.94	-117.69
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013453719	1	45	-2.0	-103.17	373.74	7.13	-96.04
CC1=C(C2CCCCC2)N=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013453720	1	44	-2.0	-110.87	362.77	6.79	-104.08
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013453721	1	51	-2.0	-103.92	402.75	9.30	-94.62
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013453722	1	48	-2.0	-102.46	383.08	7.95	-94.51
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCCCC3)=C(C)S2)C1	REAL300013453723	1	51	-2.0	-102.17	406.57	7.64	-94.53
CC1=C(C2CCCCC2)N=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013453724	1	44	-2.0	-100.91	360.73	7.61	-93.30
CC1=C(C2CCCCC2)N=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013453725	1	45	-2.0	-99.70	374.72	7.21	-92.49
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013453726	1	53	-2.0	-119.03	401.28	9.03	-110.00
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013453727	1	46	-2.0	-100.24	376.88	6.85	-93.39
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013454360	1	45	-2.0	-91.78	385.76	5.37	-86.41
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300013454361	1	47	-2.0	-96.18	398.33	3.72	-92.46
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300013454362	1	43	-2.0	-89.98	377.35	3.75	-86.23
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N(C)CCC(=O)[O-])=C1	REAL300013454363	1	41	-2.0	-111.32	368.00	4.38	-106.94
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NCCCCC(=O)[O-])=C1	REAL300013454364	1	44	-2.0	-103.85	393.28	3.57	-100.28
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NCCC(=O)[O-])=C1	REAL300013454365	1	38	-2.0	-105.05	350.29	1.99	-103.06
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NCCCCCC(=O)[O-])=C1	REAL300013454366	1	47	-2.0	-99.56	414.79	4.35	-95.21
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300013454367	0	42	-2.0	-102.01	378.79	0.33	-101.68
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013454368	0	44	-2.0	-107.52	385.72	3.45	-104.07
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300013454369	1	45	-2.0	-101.06	389.90	4.89	-96.17
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300013454370	1	44	-2.0	-112.73	381.55	4.90	-107.83
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NCCCC(=O)[O-])=C1	REAL300013454371	1	41	-2.0	-97.96	371.78	2.78	-95.18
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013454372	1	47	-2.0	-97.62	404.49	3.66	-93.96
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300013454373	1	45	-2.0	-89.94	390.26	3.99	-85.95
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NCC(C)C(=O)[O-])=C1	REAL300013454374	1	41	-2.0	-106.32	368.83	2.75	-103.57
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013454375	1	47	-2.0	-103.03	407.57	3.94	-99.09
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013454376	1	45	-2.0	-85.92	392.90	4.09	-81.83
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013454377	0	45	-2.0	-93.70	393.19	3.99	-89.71
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013454378	0	42	-2.0	-94.02	377.07	3.61	-90.41
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013454379	1	42	-2.0	-95.78	376.87	3.35	-92.43
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013454380	1	45	-2.0	-111.00	385.72	5.24	-105.76
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013454381	1	45	-2.0	-109.29	386.73	5.32	-103.97
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013454382	1	42	-2.0	-95.98	377.27	3.35	-92.63
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013454383	1	42	-2.0	-86.68	376.88	3.43	-83.25
CCC(CNC(=O)NC1=CC(C)=CC(C[N-]C(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300013454384	1	44	-2.0	-100.80	385.61	3.66	-97.14
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N(C)CCCC(=O)[O-])=C1	REAL300013454385	1	44	-2.0	-108.81	389.21	5.17	-103.64
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NC2=CN(CC(=O)[O-])C=N2)=C1	REAL300013454386	0	42	-2.0	-108.67	386.27	5.51	-103.16
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013454387	1	43	-2.0	-109.68	386.73	3.62	-106.06
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300013454388	1	46	-2.0	-115.00	395.03	5.77	-109.23
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013454389	1	43	-2.0	-96.45	388.75	4.08	-92.37
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013454390	0	42	-2.0	-94.02	377.07	3.61	-90.41
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013454391	1	42	-2.0	-100.83	372.62	4.35	-96.48
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013454392	1	43	-2.0	-104.33	387.70	4.09	-100.24
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)NC(C)CCC(=O)[O-])=C1	REAL300013454393	1	44	-2.0	-100.08	391.54	3.79	-96.29
CC(C)C1=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)SC=N1	REAL300013454470	1	37	-2.0	-90.64	330.04	5.34	-85.30
CC(C)C1=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)SC=N1	REAL300013454475	1	40	-2.0	-87.64	351.44	6.14	-81.50
CC(C)C1=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)SC=N1	REAL300013454513	0	34	-2.0	-96.22	310.67	5.30	-90.92
CC(C)C1=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])SC=N1	REAL300013454531	1	41	-2.0	-94.89	363.57	6.80	-88.09
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013454617	1	40	-2.0	-98.25	331.15	6.76	-91.49
CC(C)(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013454618	0	40	-2.0	-94.99	347.81	6.61	-88.38
CC(C)(C)C1=CSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013454619	1	40	-2.0	-93.23	351.48	6.01	-87.22
CC(C)(C)C1=CSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013454620	1	42	-2.0	-93.03	340.25	4.83	-88.20
CC(C)(C)C1=CSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013454621	1	38	-2.0	-100.04	322.74	5.14	-94.90
CC(C)(C)C1=CSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013454622	1	43	-2.0	-96.07	354.12	5.69	-90.38
CC(C)(C)C1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013454623	1	40	-2.0	-100.63	351.48	6.00	-94.63
CC(C)(C)C1=CSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013454624	1	42	-2.0	-93.14	356.72	5.46	-87.68
CC(C)(C)C1=CSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013454625	1	37	-2.0	-96.73	320.72	1.45	-95.28
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013454626	1	50	-2.0	-100.49	402.52	10.03	-90.46
CC(C)(C)C1=CSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013454627	0	43	-2.0	-91.89	369.21	7.42	-84.47
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013454628	1	40	-2.0	-97.19	335.13	6.17	-91.02
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C1	REAL300013454629	1	43	-2.0	-104.48	346.10	7.52	-96.96
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013454630	1	43	-2.0	-98.55	343.07	6.94	-91.61
CC1CCN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)CC1C(=O)[O-]	REAL300013454631	1	43	-2.0	-102.55	341.86	6.95	-95.60
CC(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013454632	1	44	-2.0	-106.53	353.80	4.07	-102.46
CC(C)(C)C1=CSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013454633	1	42	-2.0	-94.49	347.00	4.78	-89.71
CCC(CC)(CNC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013454634	1	45	-2.0	-108.82	359.31	5.58	-103.24
CC(C)(C)C1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013454635	1	40	-2.0	-111.25	333.66	5.33	-105.92
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013454636	1	51	-2.0	-94.52	409.98	7.53	-86.99
CC(C)C(CNC(=O)[N-]C1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013454637	1	42	-2.0	-107.81	349.51	5.06	-102.75
CC(NC(=O)[N-]C1=NC(C(C)(C)C)=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013454638	1	49	-2.0	-102.02	386.09	6.45	-95.57
CC(C)(C)C1=CSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013454639	1	46	-2.0	-111.10	382.60	7.22	-103.88
CC(C)(C)C1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013454640	1	40	-2.0	-94.26	335.14	5.18	-89.08
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013454641	1	46	-2.0	-95.49	370.45	8.15	-87.34
CC(C)(C)C1=CSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013454642	1	42	-2.0	-97.24	346.85	4.78	-92.46
CC(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013454643	1	43	-2.0	-108.20	350.41	5.67	-102.53
CC1CN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)CCC1C(=O)[O-]	REAL300013454644	1	43	-2.0	-99.04	349.49	7.28	-91.76
CC(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013454645	1	40	-2.0	-107.55	334.20	5.24	-102.31
CC(C)(C)C1=CSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013454646	1	43	-2.0	-105.76	359.22	5.88	-99.88
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013454647	1	43	-2.0	-98.55	343.07	6.94	-91.61
CC(C)C[C@H](CNC(=O)[N-]C1=NC(C(C)(C)C)=CS1)CC(=O)[O-]	REAL300013454648	1	48	-2.0	-109.05	380.23	6.28	-102.77
CC(C)(C)C1=CSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013454649	1	40	-2.0	-118.37	345.08	6.11	-112.26
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C1	REAL300013454650	1	44	-2.0	-110.72	367.28	5.19	-105.53
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NC(C(C)(C)C)=CS3)C2)C=N1	REAL300013454652	1	50	-2.0	-108.20	413.09	7.99	-100.21
CC(C)(C)C1=CSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013454653	1	40	-2.0	-101.37	330.63	6.71	-94.66
CC(C)(C)C1=CSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013454654	1	40	-2.0	-101.59	331.09	6.74	-94.85
CC(C)(C)C1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013454655	1	40	-2.0	-100.63	351.48	6.00	-94.63
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC(C(C)(C)C)=CS1)CC2C(=O)[O-]	REAL300013454656	1	50	-2.0	-104.80	413.82	8.02	-96.78
CC(C)(C)C1=CSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013454657	1	46	-2.0	-114.15	363.81	8.07	-106.08
CC(C)(C)C1=CSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013454658	1	48	-2.0	-92.25	399.71	7.02	-85.23
CC(C)(C)C1=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013454659	1	45	-2.0	-93.49	378.21	6.24	-87.25
CC(C)(C)C1=CSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013454660	1	43	-2.0	-100.97	345.72	7.42	-93.55
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C1	REAL300013454661	1	47	-2.0	-103.85	376.51	7.22	-96.63
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013454662	1	43	-2.0	-107.74	365.15	5.93	-101.81
CC(C)(C)C1=CSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013454663	1	46	-2.0	-99.43	370.75	8.14	-91.29
CC(C)(C)C1=CSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013454664	1	44	-2.0	-121.10	363.30	9.26	-111.84
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)CCO1	REAL300013454665	1	51	-2.0	-94.56	418.06	6.33	-88.23
CC(C)(C)C1=CSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013454666	1	41	-2.0	-89.97	342.54	5.37	-84.60
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300013454667	1	43	-2.0	-105.08	345.84	7.27	-97.81
CC(C)(C)C1=CSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013454668	1	47	-2.0	-118.96	392.55	9.10	-109.86
CC(C)(C)C1=CSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013454669	1	41	-2.0	-99.65	340.04	4.27	-95.38
CC(C)(C)C1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013454670	1	44	-2.0	-97.94	374.16	7.23	-90.71
CC(C)(C)C1=CSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013454671	1	47	-2.0	-127.61	379.78	6.22	-121.39
CC(C)(C)C1=CSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013454672	0	37	-2.0	-100.12	328.18	6.62	-93.50
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)CC1	REAL300013454673	1	47	-2.0	-101.14	374.02	6.86	-94.28
CC(C)(C)C1=CSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013454674	1	38	-2.0	-97.23	328.93	4.69	-92.54
CC(C)(C)C1=CSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013454675	1	49	-2.0	-111.21	374.97	6.69	-104.52
CC(C)(C)C1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013454676	1	43	-2.0	-100.87	348.36	6.07	-94.80
CC(C)(C)C1=CSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013454677	1	46	-2.0	-93.85	373.87	6.41	-87.44
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013454678	1	43	-2.0	-96.01	348.14	7.37	-88.64
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013454679	1	44	-2.0	-96.36	364.74	6.80	-89.56
CC(C)(C)C1=CSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013454680	1	43	-2.0	-96.17	354.12	5.68	-90.49
CC(C)(C)C1=CSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013454681	1	43	-2.0	-96.41	349.16	6.09	-90.32
CC(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013454682	1	44	-2.0	-108.39	356.06	4.27	-104.12
CC(C)(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013454683	1	41	-2.0	-105.22	340.86	3.23	-101.99
CC(C)(C)C1=CSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013454684	1	41	-2.0	-123.10	338.82	6.93	-116.17
CC(C)(C)C1=CSC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013454685	1	52	-2.0	-90.78	426.11	8.38	-82.40
CC(C)(C)C1=CSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013454686	1	38	-2.0	-99.98	330.59	5.17	-94.81
CC(C)(C)C1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013454687	1	44	-2.0	-100.50	357.95	7.29	-93.21
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013454688	1	40	-2.0	-97.39	350.06	6.37	-91.02
CC(C)(C)C1=CSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013454689	1	41	-2.0	-99.70	338.30	5.95	-93.75
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C1	REAL300013454690	1	44	-2.0	-99.27	363.16	5.69	-93.58
CC(C)(C)C1=CSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013454691	0	44	-2.0	-98.75	381.08	8.11	-90.64
CC(C)(C)C1=CSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013454692	1	38	-2.0	-96.85	329.59	5.20	-91.65
CC(C)(C)C1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013454693	1	46	-2.0	-115.38	357.88	7.08	-108.30
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455472	1	41	-2.0	-101.83	331.49	7.35	-94.48
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)=C1	REAL300013455473	0	41	-2.0	-98.32	348.16	7.19	-91.13
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC3=C(CCCCC3)S2)C=C1	REAL300013455474	1	41	-2.0	-99.38	353.87	6.99	-92.39
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013455475	1	43	-2.0	-96.30	340.59	5.41	-90.89
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CCO1	REAL300013455476	1	39	-2.0	-103.60	323.10	5.72	-97.88
O=C([O-])C1CCC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455477	1	44	-2.0	-104.12	356.50	6.65	-97.47
O=C([O-])CCCCNC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013455478	1	40	-2.0	-98.42	335.55	5.26	-93.16
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(CCCCC3)S2)=CC=C1	REAL300013455479	1	41	-2.0	-107.60	353.88	6.98	-100.62
O=C([O-])CCCCCNC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013455480	1	43	-2.0	-96.31	357.05	6.04	-90.27
CC(O)(CNC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013455481	1	38	-2.0	-100.41	320.65	1.97	-98.44
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455482	1	51	-2.0	-103.86	402.86	10.60	-93.26
CC(C)(CNC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013455483	1	40	-2.0	-103.35	328.00	5.14	-98.21
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)=C1	REAL300013455484	0	44	-2.0	-94.99	369.56	8.00	-86.99
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455485	1	41	-2.0	-100.55	334.09	6.69	-93.86
CC(CN(C)C(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013455486	1	40	-2.0	-101.82	326.39	6.65	-95.17
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455487	1	44	-2.0	-108.17	346.46	8.10	-100.07
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455488	1	44	-2.0	-101.89	343.41	7.54	-94.35
CC1CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1C(=O)[O-]	REAL300013455489	1	44	-2.0	-106.64	349.80	7.81	-98.83
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCOCC1	REAL300013455490	1	45	-2.0	-112.78	357.19	4.86	-107.92
CC(C)(CCNC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013455491	1	43	-2.0	-97.85	347.34	5.36	-92.49
CCC(CC)(CNC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013455492	1	46	-2.0	-111.26	354.95	6.32	-104.94
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCC1	REAL300013455493	1	41	-2.0	-115.55	334.01	5.91	-109.64
CC(C)C(CNC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013455494	1	43	-2.0	-109.95	344.59	5.73	-104.22
CC(NC(=O)[N-]C1=NC2=C(CCCCC2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013455495	1	50	-2.0	-110.18	391.50	8.00	-102.18
CC(CNC(=O)[N-]C1=NC2=C(CCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013455496	1	47	-2.0	-118.34	379.60	8.45	-109.89
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455497	1	41	-2.0	-100.85	337.53	6.07	-94.78
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455498	1	47	-2.0	-98.74	370.80	8.74	-90.00
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC3=C(CCCCC3)S1)C2	REAL300013455499	1	43	-2.0	-119.95	349.94	5.64	-114.31
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCCC1	REAL300013455500	1	44	-2.0	-113.16	352.51	6.53	-106.63
CC1CN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CCC1C(=O)[O-]	REAL300013455501	1	44	-2.0	-99.28	343.41	8.02	-91.26
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCC1	REAL300013455502	1	41	-2.0	-115.61	336.59	6.23	-109.38
O=C([O-])CC(CNC(=O)[N-]C1=NC2=C(CCCCC2)S1)C1CC1	REAL300013455503	1	44	-2.0	-109.37	359.57	6.47	-102.90
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455504	1	44	-2.0	-101.89	343.41	7.54	-94.35
CC(C)C[C@H](CNC(=O)[N-]C1=NC2=C(CCCCC2)S1)CC(=O)[O-]	REAL300013455505	1	49	-2.0	-112.74	380.57	6.86	-105.88
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455506	1	38	-2.0	-111.21	319.70	5.42	-105.79
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013455507	1	41	-2.0	-127.87	347.48	7.10	-120.77
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455508	1	45	-2.0	-110.11	366.07	5.78	-104.33
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455509	1	38	-2.0	-103.14	321.18	5.44	-97.70
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455511	1	41	-2.0	-111.23	332.33	7.67	-103.56
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455512	1	41	-2.0	-111.45	333.48	7.71	-103.74
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455513	1	38	-2.0	-103.22	321.19	5.44	-97.78
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455514	1	38	-2.0	-102.59	321.10	5.49	-97.10
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(CCCCC3)S2)=CC=C1	REAL300013455515	1	41	-2.0	-107.60	353.88	6.98	-100.62
CCC(CNC(=O)[N-]C1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013455516	1	40	-2.0	-110.24	333.06	5.14	-105.10
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013455517	1	47	-2.0	-124.86	366.20	9.06	-115.80
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013455518	1	49	-2.0	-95.37	400.05	7.60	-87.77
O=C([O-])CCCCCCNC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013455519	1	46	-2.0	-96.62	378.55	6.82	-89.80
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013455520	1	40	-2.0	-106.62	333.80	7.15	-99.47
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455521	1	44	-2.0	-104.49	345.75	8.01	-96.48
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455522	1	48	-2.0	-108.22	377.80	7.17	-101.05
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013455523	1	44	-2.0	-111.44	365.49	6.51	-104.93
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455524	1	47	-2.0	-102.81	371.08	8.71	-94.10
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC2=CC=CC=C21	REAL300013455525	1	45	-2.0	-125.12	363.65	9.84	-115.28
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455526	1	42	-2.0	-93.29	342.89	5.96	-87.33
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013455527	1	44	-2.0	-110.64	348.23	8.25	-102.39
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C[C@H]1C1=CC=CC=C1	REAL300013455528	1	48	-2.0	-112.13	395.25	10.10	-102.03
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455529	1	42	-2.0	-103.19	340.39	4.84	-98.35
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C2=CC=CC=C21	REAL300013455530	1	45	-2.0	-103.83	372.12	7.98	-95.85
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C1=O	REAL300013455531	1	48	-2.0	-139.03	382.18	7.18	-131.85
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)=C1	REAL300013455532	0	38	-2.0	-103.48	328.52	7.20	-96.28
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455533	1	48	-2.0	-104.79	374.37	7.44	-97.35
O=C([O-])C12CC(NC(=O)[N-]C3=NC4=C(CCCCC4)S3)(C1)C2	REAL300013455534	1	39	-2.0	-100.65	329.28	5.27	-95.38
O=C([O-])CC1(CNC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCCCC1	REAL300013455535	1	50	-2.0	-103.63	377.23	7.66	-95.97
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455536	1	44	-2.0	-107.71	352.05	7.09	-100.62
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455537	1	47	-2.0	-96.43	372.87	6.95	-89.48
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455538	1	44	-2.0	-99.47	348.49	7.96	-91.51
O=C([O-])COC1CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455539	1	45	-2.0	-99.72	365.09	7.38	-92.34
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455540	1	44	-2.0	-103.59	356.51	6.65	-96.94
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455541	1	44	-2.0	-103.24	351.55	7.07	-96.17
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCCOC1	REAL300013455542	1	45	-2.0	-117.04	358.45	5.25	-111.79
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCOC1	REAL300013455543	1	42	-2.0	-113.07	343.26	4.21	-108.86
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013455544	1	42	-2.0	-127.69	339.57	7.51	-120.18
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC3=C(CCCCC3)S1)C2	REAL300013455545	1	39	-2.0	-107.31	332.74	6.16	-101.15
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCCC3)S2)CC1	REAL300013455546	1	38	-2.0	-111.21	319.70	5.42	-105.79
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CC12CCC2	REAL300013455547	1	45	-2.0	-104.10	358.25	7.87	-96.23
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455548	1	41	-2.0	-101.17	350.42	6.93	-94.24
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)CCO1	REAL300013455549	1	42	-2.0	-103.20	338.62	6.52	-96.68
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455550	1	45	-2.0	-108.96	365.55	6.66	-102.30
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NC4=C(CCCCC4)S3)=CC=C21	REAL300013455551	0	45	-2.0	-107.04	383.47	9.10	-97.94
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(CCCCC3)S2)C1	REAL300013455552	1	38	-2.0	-101.53	316.27	6.17	-95.36
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC3=C(CCCCC3)S1)C2	REAL300013455553	1	39	-2.0	-105.02	332.31	6.17	-98.85
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(CCCCC3)S2)CCCCC1	REAL300013455554	1	47	-2.0	-123.94	360.27	8.07	-115.87
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CCCCC2)S1	REAL300013455555	1	40	-2.0	-100.75	333.81	5.47	-95.28
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300013461568	1	35	-2.0	-91.06	319.88	5.51	-85.55
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300013461573	1	38	-2.0	-88.00	341.27	6.32	-81.68
O=C([O-])CN1C=NC(NC(=O)[N-]C2=C(C3CC3)N=CS2)=C1	REAL300013461611	0	32	-2.0	-96.39	300.24	5.51	-90.88
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=C(C4CC4)N=CS3)=CC=C21	REAL300013461629	1	39	-2.0	-95.12	353.14	7.01	-88.11
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC1	REAL300013461817	1	49	-2.0	-104.70	378.18	7.34	-97.36
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013461818	1	51	-2.0	-98.68	386.49	5.38	-93.30
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCO1	REAL300013461819	1	47	-2.0	-108.54	369.00	5.69	-102.85
CN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013461820	1	45	-2.0	-110.16	358.18	6.31	-103.85
O=C([N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)NC1CCC(C(=O)[O-])CC1	REAL300013461821	1	52	-2.0	-103.14	400.33	6.23	-96.91
O=C([O-])CCCCNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013461822	1	48	-2.0	-101.99	381.45	5.22	-96.77
O=C([O-])CCNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013461823	1	42	-2.0	-107.04	338.45	3.64	-103.40
O=C([O-])CCCCCNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013461824	1	51	-2.0	-99.21	402.94	6.00	-93.21
CC(O)(CNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013461825	1	46	-2.0	-104.84	366.54	1.93	-102.91
CC(C)(CNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013461826	1	48	-2.0	-108.18	373.30	5.11	-103.07
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013461827	1	49	-2.0	-104.97	380.80	6.69	-98.28
CC(CN(C)C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013461828	1	48	-2.0	-106.12	371.39	6.59	-99.53
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013461829	1	52	-2.0	-109.57	397.49	7.81	-101.76
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC1	REAL300013461830	1	52	-2.0	-105.19	389.55	7.50	-97.69
O=C([O-])CCCNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013461831	1	45	-2.0	-100.90	359.95	4.44	-96.46
CC1CCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC1C(=O)[O-]	REAL300013461832	1	52	-2.0	-111.85	395.70	7.77	-104.08
CC(C)(CCNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013461833	1	51	-2.0	-100.71	392.65	5.31	-95.40
CCC(CC)(CNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013461834	1	54	-2.0	-115.18	402.88	6.46	-108.72
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCC1	REAL300013461835	1	49	-2.0	-118.37	380.70	5.91	-112.46
CC(CNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013461836	1	45	-2.0	-107.55	357.81	4.43	-103.12
CC(C)C(CNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013461837	1	51	-2.0	-115.27	395.73	5.59	-109.68
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013461838	1	49	-2.0	-99.91	381.35	5.64	-94.27
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCCC1	REAL300013461839	1	52	-2.0	-116.46	398.42	6.50	-109.96
CC1CN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCC1C(=O)[O-]	REAL300013461840	1	52	-2.0	-102.27	389.26	7.95	-94.32
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCC1	REAL300013461841	1	49	-2.0	-114.66	380.45	5.80	-108.86
O=C([O-])CC(CNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C1CC1	REAL300013461842	1	52	-2.0	-114.74	405.44	6.44	-108.30
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC1	REAL300013461843	1	52	-2.0	-105.19	389.55	7.50	-97.69
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC1	REAL300013461844	1	46	-2.0	-114.01	365.58	5.38	-108.63
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013461845	1	46	-2.0	-102.20	365.42	5.01	-97.19
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013461846	1	49	-2.0	-110.25	376.16	7.23	-103.02
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013461847	1	49	-2.0	-110.43	377.30	7.28	-103.15
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013461848	1	46	-2.0	-102.37	365.01	5.01	-97.36
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013461849	1	46	-2.0	-101.62	365.24	5.05	-96.57
CCC(CNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013461850	1	48	-2.0	-113.65	378.95	5.10	-108.55
O=C([O-])CCCCCCNC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013461851	1	54	-2.0	-99.89	424.44	6.78	-93.11
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013461852	1	48	-2.0	-111.05	379.69	7.11	-103.94
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013461853	1	52	-2.0	-109.72	391.63	7.97	-101.75
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013461854	1	52	-2.0	-111.79	411.38	6.47	-105.32
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013461855	1	52	-2.0	-108.15	391.92	7.85	-100.30
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013461856	1	50	-2.0	-108.04	386.28	4.80	-103.24
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)=C1	REAL300013461857	0	46	-2.0	-108.01	374.58	7.18	-100.83
O=C([O-])C12CC(NC(=O)[N-]C3=NC4=C(CC5(CCOCC5)CC4)S3)(C1)C2	REAL300013461858	1	47	-2.0	-105.05	375.96	5.26	-99.79
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC1	REAL300013461859	1	52	-2.0	-106.75	395.93	6.66	-100.09
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC1	REAL300013461860	1	52	-2.0	-101.48	395.17	7.95	-93.53
O=C([N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013461861	1	52	-2.0	-102.56	401.17	6.24	-96.32
O=C([N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)NC1CCCC(C(=O)[O-])C1	REAL300013461862	1	52	-2.0	-102.32	395.40	6.64	-95.68
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCOC1	REAL300013461863	1	50	-2.0	-112.16	387.11	3.78	-108.38
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013461864	1	50	-2.0	-104.93	381.75	7.42	-97.51
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC3=C(CC4(CCOCC4)CC3)S1)C2	REAL300013461865	1	47	-2.0	-106.25	377.70	5.74	-100.51
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC1	REAL300013461866	1	46	-2.0	-114.01	365.58	5.38	-108.63
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCO1	REAL300013461867	1	50	-2.0	-108.10	384.50	6.49	-101.61
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C1	REAL300013461868	1	46	-2.0	-106.15	362.15	6.14	-100.01
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC3=C(CC4(CCOCC4)CC3)S1)C2	REAL300013461869	1	47	-2.0	-104.06	376.71	5.78	-98.28
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300013461870	1	48	-2.0	-103.30	379.70	5.44	-97.86
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013462069	1	44	-2.0	-105.86	382.26	9.88	-95.98
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013462070	1	46	-2.0	-99.88	391.37	7.95	-91.93
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013462071	1	42	-2.0	-109.30	377.71	8.40	-100.90
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013462072	1	43	-2.0	-103.03	386.33	7.79	-95.24
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013462073	1	37	-2.0	-107.83	343.33	6.21	-101.62
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013462074	1	46	-2.0	-100.30	407.83	8.57	-91.73
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013462075	1	41	-2.0	-105.67	371.43	4.50	-101.17
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013462076	1	43	-2.0	-109.14	378.77	7.67	-101.47
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013462077	1	44	-2.0	-105.94	388.71	9.37	-96.57
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013462078	1	43	-2.0	-106.76	376.27	9.17	-97.59
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013462079	1	40	-2.0	-102.04	364.83	7.01	-95.03
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013462080	1	46	-2.0	-101.98	398.12	7.89	-94.09
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013462081	1	44	-2.0	-119.50	384.74	8.45	-111.05
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013462082	1	40	-2.0	-107.93	361.00	6.96	-100.97
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013462083	1	46	-2.0	-114.98	395.37	8.26	-106.72
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013462084	1	44	-2.0	-101.05	386.26	8.21	-92.84
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013462085	1	44	-2.0	-115.93	385.31	8.36	-107.57
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462086	1	41	-2.0	-115.22	373.74	8.08	-107.14
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013462087	1	41	-2.0	-103.51	374.18	7.71	-95.80
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013462088	1	44	-2.0	-110.60	384.30	9.94	-100.66
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013462089	1	44	-2.0	-110.91	385.63	9.98	-100.93
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013462090	1	41	-2.0	-103.63	373.75	7.71	-95.92
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013462091	1	41	-2.0	-102.57	373.27	7.74	-94.83
CCC(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013462092	1	43	-2.0	-113.88	378.82	7.78	-106.10
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013462093	1	42	-2.0	-105.41	383.27	7.93	-97.48
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013462094	1	42	-2.0	-107.51	381.47	8.29	-99.22
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462095	1	41	-2.0	-115.22	373.74	8.08	-107.14
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013462096	1	41	-2.0	-107.05	370.88	8.86	-98.19
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013462097	1	42	-2.0	-104.96	384.88	8.45	-96.51
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013462098	1	43	-2.0	-104.62	384.59	8.01	-96.61
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013462099	1	44	-2.0	-103.94	376.36	9.60	-94.34
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013462100	0	44	-2.0	-100.44	392.99	9.45	-90.99
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013462101	1	44	-2.0	-97.82	400.04	8.97	-88.85
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013462102	1	46	-2.0	-97.81	388.82	7.79	-90.02
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013462103	1	42	-2.0	-108.00	368.00	7.96	-100.04
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013462104	1	47	-2.0	-102.68	399.28	8.50	-94.18
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013462105	1	43	-2.0	-101.49	383.78	7.63	-93.86
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013462106	1	44	-2.0	-106.06	400.04	8.95	-97.11
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013462107	1	37	-2.0	-106.36	340.78	6.06	-100.30
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013462108	1	46	-2.0	-98.53	405.27	8.41	-90.12
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013462109	1	41	-2.0	-104.06	369.28	4.40	-99.66
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013462110	1	43	-2.0	-107.76	376.22	7.51	-100.25
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013462111	1	44	-2.0	-104.11	379.00	8.94	-95.17
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013462112	1	43	-2.0	-111.78	374.86	9.27	-102.51
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013462113	1	47	-2.0	-107.30	396.59	10.10	-97.20
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013462114	1	47	-2.0	-103.90	388.27	9.76	-94.14
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013462115	1	40	-2.0	-100.13	362.28	6.85	-93.28
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013462116	1	47	-2.0	-111.35	394.70	10.06	-101.29
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013462117	1	46	-2.0	-99.97	394.98	7.73	-92.24
CCC(CC)(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013462118	1	49	-2.0	-113.39	403.17	8.70	-104.69
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013462119	1	44	-2.0	-117.20	378.83	8.16	-109.04
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013462120	1	40	-2.0	-106.97	359.33	6.81	-100.16
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013462121	1	46	-2.0	-113.72	398.07	8.00	-105.72
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013462122	1	44	-2.0	-99.05	380.37	7.92	-91.13
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013462123	1	47	-2.0	-114.98	397.34	8.77	-106.21
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013462124	1	47	-2.0	-100.96	388.21	10.26	-90.70
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013462125	1	44	-2.0	-113.13	379.36	8.07	-105.06
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013462126	1	47	-2.0	-113.69	407.78	8.84	-104.85
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013462127	1	47	-2.0	-103.90	388.27	9.76	-94.14
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462128	1	41	-2.0	-112.28	364.52	7.66	-104.62
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013462129	1	44	-2.0	-125.59	393.64	9.07	-116.52
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013462130	1	41	-2.0	-101.35	364.33	7.28	-94.07
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013462131	1	44	-2.0	-109.28	375.16	9.51	-99.77
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013462132	1	44	-2.0	-109.53	376.26	9.56	-99.97
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013462133	1	41	-2.0	-101.35	364.04	7.28	-94.07
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013462134	1	41	-2.0	-100.72	364.24	7.32	-93.40
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013462135	1	44	-2.0	-106.06	400.04	8.95	-97.11
CCC(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013462136	1	43	-2.0	-111.21	376.27	7.62	-103.59
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013462137	1	49	-2.0	-99.43	426.77	9.19	-90.24
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013462138	1	47	-2.0	-109.05	390.64	10.25	-98.80
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013462139	1	47	-2.0	-107.73	391.00	10.09	-97.64
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013462140	1	45	-2.0	-107.22	385.29	7.08	-100.14
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013462141	0	41	-2.0	-107.21	373.34	9.45	-97.76
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013462142	1	42	-2.0	-104.47	374.14	7.51	-96.96
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013462143	1	47	-2.0	-106.31	393.61	8.89	-97.42
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013462144	1	47	-2.0	-100.32	396.70	10.32	-90.00
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013462145	1	47	-2.0	-101.77	399.35	8.50	-93.27
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013462146	1	47	-2.0	-101.09	394.40	8.91	-92.18
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013462147	1	45	-2.0	-110.47	389.42	6.18	-104.29
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013462148	1	45	-2.0	-131.24	384.40	9.76	-121.48
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013462149	1	42	-2.0	-105.37	378.91	8.13	-97.24
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462150	1	41	-2.0	-112.28	364.52	7.66	-104.62
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013462151	1	45	-2.0	-107.50	383.45	8.76	-98.74
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013462152	1	41	-2.0	-105.69	360.77	8.42	-97.27
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013462153	1	42	-2.0	-103.54	375.18	8.03	-95.51
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013462154	1	43	-2.0	-102.51	382.03	7.85	-94.66
CC1=C(CC2=CC=CC(Br)=C2)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013462155	1	37	-2.0	-105.72	355.67	6.60	-99.12
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013462156	1	44	-2.0	-106.82	376.06	9.59	-97.23
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013462157	0	44	-2.0	-103.30	392.72	9.44	-93.86
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013462158	1	44	-2.0	-100.84	396.39	8.83	-92.01
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013462159	1	46	-2.0	-100.83	385.17	7.65	-93.18
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013462160	1	42	-2.0	-109.97	371.54	8.10	-101.87
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013462161	1	47	-2.0	-104.69	399.03	8.49	-96.20
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013462162	1	43	-2.0	-103.78	380.13	7.50	-96.28
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013462163	1	44	-2.0	-108.90	396.40	8.82	-100.08
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013462164	1	37	-2.0	-108.45	337.13	5.92	-102.53
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013462165	1	46	-2.0	-101.24	401.63	8.28	-92.96
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013462166	1	41	-2.0	-106.41	365.23	4.21	-102.20
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013462167	1	43	-2.0	-109.49	371.99	7.39	-102.10
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013462168	1	44	-2.0	-106.66	382.54	9.08	-97.58
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013462169	1	43	-2.0	-107.47	370.07	8.88	-98.59
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013462170	1	47	-2.0	-111.88	391.02	10.34	-101.54
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013462171	1	47	-2.0	-106.93	391.90	9.92	-97.01
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013462172	1	40	-2.0	-102.86	358.63	6.71	-96.15
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013462173	1	47	-2.0	-113.11	398.25	10.20	-102.91
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013462174	1	46	-2.0	-102.81	391.33	7.58	-95.23
CCC(CC)(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013462175	1	49	-2.0	-117.37	401.57	8.73	-108.64
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013462176	1	44	-2.0	-120.40	378.55	8.15	-112.25
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013462177	1	40	-2.0	-108.98	355.68	6.68	-102.30
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013462178	1	46	-2.0	-115.88	389.17	7.97	-107.91
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013462179	1	44	-2.0	-101.95	380.05	7.91	-94.04
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013462180	1	47	-2.0	-118.82	401.01	8.91	-109.91
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013462181	1	47	-2.0	-104.39	391.83	10.40	-93.99
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013462182	1	44	-2.0	-116.80	379.11	8.07	-108.73
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013462183	1	47	-2.0	-116.04	404.14	8.71	-107.33
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013462184	1	47	-2.0	-106.93	391.90	9.92	-97.01
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462185	1	41	-2.0	-116.37	368.20	7.79	-108.58
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013462186	1	44	-2.0	-128.45	390.00	8.94	-119.51
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013462187	1	41	-2.0	-104.27	367.94	7.42	-96.85
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013462188	1	44	-2.0	-111.38	378.77	9.64	-101.74
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013462189	1	44	-2.0	-111.73	379.90	9.70	-102.03
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013462190	1	41	-2.0	-104.46	367.58	7.42	-97.04
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013462191	1	41	-2.0	-103.58	367.50	7.47	-96.11
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013462192	1	44	-2.0	-108.90	396.40	8.82	-100.08
CCC(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013462193	1	43	-2.0	-115.86	377.63	7.38	-108.48
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013462194	1	49	-2.0	-101.74	423.13	9.06	-92.68
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013462195	1	47	-2.0	-111.06	394.19	10.39	-100.67
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013462196	1	47	-2.0	-111.39	394.46	10.28	-101.11
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013462197	1	45	-2.0	-109.47	388.83	7.22	-102.25
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013462198	0	41	-2.0	-109.09	377.02	9.58	-99.51
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013462199	1	42	-2.0	-106.26	377.76	7.64	-98.62
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013462200	1	47	-2.0	-109.02	398.50	9.07	-99.95
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013462201	1	47	-2.0	-103.99	393.05	10.20	-93.79
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013462202	1	47	-2.0	-104.67	402.93	8.63	-96.04
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013462203	1	47	-2.0	-104.70	397.94	9.05	-95.65
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013462204	1	45	-2.0	-114.19	385.78	6.05	-108.14
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013462205	1	45	-2.0	-133.40	384.12	9.75	-123.65
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013462206	1	42	-2.0	-108.42	375.26	8.00	-100.42
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462207	1	41	-2.0	-116.37	368.20	7.79	-108.58
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013462208	1	45	-2.0	-109.46	387.12	8.89	-100.57
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013462209	1	41	-2.0	-107.74	364.72	8.57	-99.17
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013462210	1	42	-2.0	-105.76	378.82	8.16	-97.60
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013462211	1	43	-2.0	-105.49	378.39	7.71	-97.78
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013462212	1	44	-2.0	-103.36	386.68	10.04	-93.32
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013462213	1	46	-2.0	-97.35	399.14	8.23	-89.12
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013462214	1	42	-2.0	-107.47	378.32	8.41	-99.06
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013462215	1	43	-2.0	-100.93	394.10	8.07	-92.86
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013462216	1	37	-2.0	-105.80	351.10	6.50	-99.30
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013462217	1	46	-2.0	-98.04	415.60	8.85	-89.19
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013462218	1	41	-2.0	-103.53	379.61	4.84	-98.69
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013462219	1	43	-2.0	-107.03	385.96	7.97	-99.06
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013462220	1	44	-2.0	-103.50	389.32	9.39	-94.11
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013462221	1	43	-2.0	-111.17	385.18	9.71	-101.46
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013462222	1	40	-2.0	-99.65	372.60	7.29	-92.36
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013462223	1	46	-2.0	-99.50	405.30	8.17	-91.33
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013462224	1	44	-2.0	-116.75	389.15	8.60	-108.15
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013462225	1	40	-2.0	-106.44	369.65	7.25	-99.19
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013462226	1	46	-2.0	-111.84	403.13	8.55	-103.29
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013462227	1	44	-2.0	-98.54	390.69	8.37	-90.17
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013462228	1	44	-2.0	-112.75	389.68	8.52	-104.23
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462229	1	41	-2.0	-111.99	374.85	8.10	-103.89
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013462230	1	41	-2.0	-100.83	374.65	7.72	-93.11
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013462231	1	44	-2.0	-108.82	385.48	9.96	-98.86
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013462232	1	44	-2.0	-109.00	386.57	10.00	-99.00
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013462233	1	41	-2.0	-100.85	374.36	7.73	-93.12
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013462234	1	41	-2.0	-100.19	374.56	7.77	-92.42
CCC(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013462235	1	43	-2.0	-110.78	386.59	8.06	-102.72
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013462236	1	42	-2.0	-103.86	384.46	7.95	-95.91
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013462237	1	42	-2.0	-104.92	389.23	8.58	-96.34
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462238	1	41	-2.0	-111.99	374.85	8.10	-103.89
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013462239	1	41	-2.0	-105.19	371.09	8.86	-96.33
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013462240	1	42	-2.0	-102.99	385.50	8.47	-94.52
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013462241	1	43	-2.0	-102.01	392.36	8.29	-93.72
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013462242	1	46	-2.0	-108.48	405.18	7.50	-100.98
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCCC(=O)[O-])S1	REAL300013462243	1	40	-2.0	-113.75	362.18	5.92	-107.83
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013462244	1	44	-2.0	-111.37	390.69	4.26	-107.11
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013462245	1	46	-2.0	-114.90	397.04	7.39	-107.51
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013462246	1	46	-2.0	-113.08	396.01	8.89	-104.19
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCCCC(=O)[O-])S1	REAL300013462247	1	43	-2.0	-107.37	383.68	6.72	-100.65
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC(C)C(=O)[O-])S1	REAL300013462248	1	43	-2.0	-114.31	380.73	6.68	-107.63
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013462249	1	44	-2.0	-120.99	389.33	7.66	-113.33
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013462250	1	44	-2.0	-108.88	389.11	7.28	-101.60
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013462251	1	44	-2.0	-108.97	389.15	7.27	-101.70
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013462252	1	44	-2.0	-108.24	388.63	7.32	-100.92
CCC(CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=C(CC(=O)OC)S1)C(=O)[O-]	REAL300013462253	1	46	-2.0	-119.27	397.67	7.49	-111.78
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013462254	1	44	-2.0	-120.99	389.33	7.66	-113.33
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013462255	1	44	-2.0	-113.18	385.52	8.41	-104.77
COC(=O)CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013462256	1	46	-2.0	-110.39	403.44	7.71	-102.68
O=C([O-])CCNC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013462257	1	41	-2.0	-106.64	372.93	7.50	-99.14
O=C([O-])CCCNC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1	REAL300013462258	1	44	-2.0	-101.65	397.13	8.39	-93.26
CC(CNC(=O)[N-]C1=NC(C2CC2)=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013462259	1	44	-2.0	-107.16	391.48	8.26	-98.90
CC1=C(CC2=CC=C(F)C(F)=C2F)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013462260	1	37	-2.0	-108.82	353.63	6.19	-102.63
CC1=C(CC2=CC=C(F)C(F)=C2F)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013462261	1	40	-2.0	-103.62	375.13	6.98	-96.64
CC1=C(CC2=CC=C(F)C(F)=C2F)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013462262	1	40	-2.0	-109.33	372.99	6.97	-102.36
CC1=C(CC2=CC=C(F)C(F)=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462263	1	41	-2.0	-117.02	380.78	7.92	-109.10
CC1=C(CC2=CC=C(F)C(F)=C2F)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013462264	1	41	-2.0	-105.19	380.17	7.54	-97.65
CC1=C(CC2=CC=C(F)C(F)=C2F)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013462265	1	41	-2.0	-104.87	376.29	7.39	-97.48
CC1=C(CC2=CC=C(F)C(F)=C2F)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013462266	1	41	-2.0	-104.26	380.49	7.59	-96.67
CC1=C(CC2=CC=C(F)C(F)=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462267	1	41	-2.0	-117.02	380.78	7.92	-109.10
CC1=C(CC2=CC=C(F)C(F)=C2F)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013462268	1	41	-2.0	-108.10	373.42	8.54	-99.56
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013462269	1	44	-2.0	-105.85	378.40	9.57	-96.28
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013462270	1	46	-2.0	-100.22	390.64	7.73	-92.49
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013462271	1	42	-2.0	-109.82	373.11	8.03	-101.79
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013462272	1	43	-2.0	-103.49	385.60	7.58	-95.91
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013462273	1	37	-2.0	-108.21	342.60	6.00	-102.21
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013462274	1	46	-2.0	-100.70	407.10	8.36	-92.34
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013462275	1	41	-2.0	-106.07	370.70	4.29	-101.78
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013462276	1	43	-2.0	-109.62	378.04	7.46	-102.16
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013462277	1	44	-2.0	-106.15	384.10	9.01	-97.14
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013462278	1	43	-2.0	-113.97	377.48	9.24	-104.73
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013462279	1	40	-2.0	-102.31	364.10	6.79	-95.52
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013462280	1	46	-2.0	-102.17	396.80	7.67	-94.50
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013462281	1	44	-2.0	-119.21	384.03	8.22	-110.99
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013462282	1	40	-2.0	-108.88	361.15	6.76	-102.12
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013462283	1	46	-2.0	-116.09	399.89	7.95	-108.14
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013462284	1	44	-2.0	-101.26	382.35	7.90	-93.36
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013462285	1	44	-2.0	-115.52	381.42	8.05	-107.47
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462286	1	41	-2.0	-115.32	369.74	7.73	-107.59
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013462287	1	41	-2.0	-103.72	369.51	7.34	-96.38
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013462288	1	44	-2.0	-111.31	380.31	9.58	-101.73
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013462289	1	44	-2.0	-111.43	378.34	9.54	-101.89
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013462290	1	41	-2.0	-103.67	366.02	7.26	-96.41
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013462291	1	41	-2.0	-103.23	369.08	7.40	-95.83
CCC(CNC(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013462292	1	43	-2.0	-113.60	378.09	7.57	-106.03
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013462293	1	42	-2.0	-106.35	379.30	7.57	-98.78
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013462294	1	42	-2.0	-107.89	380.70	8.07	-99.82
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462295	1	41	-2.0	-115.32	369.74	7.73	-107.59
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013462296	1	41	-2.0	-107.70	362.83	8.40	-99.30
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013462297	1	42	-2.0	-105.50	377.17	8.00	-97.50
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013462298	1	43	-2.0	-105.13	383.86	7.79	-97.34
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013462299	1	44	-2.0	-104.97	386.45	9.80	-95.17
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013462300	1	46	-2.0	-99.14	395.55	7.86	-91.28
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013462301	1	42	-2.0	-108.22	378.10	8.16	-100.06
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013462302	1	43	-2.0	-102.08	390.52	7.71	-94.37
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013462303	1	37	-2.0	-106.71	347.52	6.13	-100.58
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013462304	1	46	-2.0	-99.58	412.01	8.49	-91.09
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013462305	1	41	-2.0	-104.64	375.62	4.42	-100.22
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013462306	1	43	-2.0	-108.03	382.96	7.59	-100.44
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013462307	1	44	-2.0	-104.13	379.77	8.89	-95.24
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013462308	1	43	-2.0	-105.71	381.34	9.11	-96.60
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013462309	1	40	-2.0	-101.22	369.02	6.92	-94.30
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013462310	1	46	-2.0	-101.24	402.30	7.81	-93.43
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013462311	1	44	-2.0	-117.80	387.92	8.36	-109.44
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013462312	1	40	-2.0	-107.30	366.07	6.89	-100.41
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013462313	1	46	-2.0	-114.00	399.55	8.18	-105.82
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013462314	1	44	-2.0	-100.30	390.43	8.11	-92.19
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013462315	1	44	-2.0	-115.06	389.50	8.28	-106.78
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462316	1	41	-2.0	-114.48	374.66	7.86	-106.62
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013462317	1	41	-2.0	-102.63	374.05	7.48	-95.15
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013462318	1	44	-2.0	-109.49	381.15	9.55	-99.94
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013462319	1	44	-2.0	-109.79	386.32	9.76	-100.03
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013462320	1	41	-2.0	-101.42	365.21	7.23	-94.19
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013462321	1	41	-2.0	-101.74	374.24	7.52	-94.22
CCC(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1)C(=O)[O-]	REAL300013462322	1	43	-2.0	-114.13	388.02	7.59	-106.54
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013462323	1	42	-2.0	-104.37	384.16	7.71	-96.66
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013462324	1	42	-2.0	-106.78	385.64	8.21	-98.57
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462325	1	41	-2.0	-114.48	374.66	7.86	-106.62
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013462326	1	41	-2.0	-106.37	370.91	8.62	-97.75
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013462327	1	42	-2.0	-103.94	381.26	8.09	-95.85
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013462328	1	43	-2.0	-103.77	388.77	7.92	-95.85
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013462329	1	43	-2.0	-101.83	400.84	8.16	-93.67
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013462330	1	37	-2.0	-106.56	357.84	6.58	-99.98
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013462331	1	43	-2.0	-107.58	392.70	8.04	-99.54
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013462332	1	43	-2.0	-105.51	391.67	9.55	-95.96
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013462333	1	40	-2.0	-101.05	379.34	7.38	-93.67
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013462334	1	40	-2.0	-107.11	376.39	7.34	-99.77
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462335	1	41	-2.0	-114.39	384.98	8.32	-106.07
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013462336	1	41	-2.0	-102.41	384.37	7.93	-94.48
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013462337	1	41	-2.0	-101.19	375.54	7.68	-93.51
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013462338	1	41	-2.0	-101.56	384.57	7.97	-93.59
CCC(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1)C(=O)[O-]	REAL300013462339	1	43	-2.0	-113.95	398.34	8.04	-105.91
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462340	1	41	-2.0	-114.39	384.98	8.32	-106.07
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013462341	1	41	-2.0	-106.23	381.23	9.08	-97.15
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013462342	1	43	-2.0	-103.63	399.10	8.37	-95.26
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013462343	1	43	-2.0	-103.99	400.22	8.14	-95.85
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013462344	1	37	-2.0	-108.71	357.22	6.56	-102.15
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013462345	1	43	-2.0	-109.98	392.66	8.02	-101.96
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013462346	1	43	-2.0	-107.56	391.05	9.54	-98.02
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013462347	1	40	-2.0	-103.31	378.72	7.36	-95.95
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013462348	1	40	-2.0	-108.83	374.89	7.30	-101.53
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462349	1	41	-2.0	-116.96	384.37	8.29	-108.67
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013462350	1	41	-2.0	-104.85	384.12	7.92	-96.93
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013462351	1	41	-2.0	-104.80	384.19	7.91	-96.89
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013462352	1	41	-2.0	-104.02	384.15	7.98	-96.04
CCC(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=CC(Cl)=C2F)S1)C(=O)[O-]	REAL300013462353	1	43	-2.0	-116.31	397.72	8.02	-108.29
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013462354	1	41	-2.0	-116.96	384.37	8.29	-108.67
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013462355	1	41	-2.0	-108.37	380.60	9.05	-99.32
CC1=C(CC2=CC=CC(Cl)=C2F)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013462356	1	43	-2.0	-106.07	398.47	8.35	-97.72
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013462832	1	40	-2.0	-107.31	351.74	7.13	-100.18
CCOC(=O)CC1=CN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013462833	0	40	-2.0	-103.49	368.41	7.00	-96.49
CCOC(=O)CC1=CN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013462834	1	40	-2.0	-100.70	372.08	6.39	-94.31
CCOC(=O)CC1=CN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013462835	1	42	-2.0	-100.69	360.86	5.21	-95.48
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013462836	1	38	-2.0	-110.46	343.32	5.51	-104.95
CCOC(=O)CC1=CN=C([N-]C(=O)N(C)CCC(=O)[O-])S1	REAL300013462837	1	36	-2.0	-111.68	332.56	6.15	-105.53
CCOC(=O)CC1=CN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013462838	1	43	-2.0	-105.38	374.72	6.05	-99.33
CCOC(=O)CC1=CN=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013462839	1	39	-2.0	-104.13	355.82	5.05	-99.08
CCOC(=O)CC1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013462840	1	40	-2.0	-109.44	372.08	6.38	-103.06
CCOC(=O)CC1=CN=C([N-]C(=O)NCCC(=O)[O-])S1	REAL300013462841	1	33	-2.0	-108.87	312.82	3.49	-105.38
CCOC(=O)CC1=CN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013462842	1	42	-2.0	-101.34	377.32	5.83	-95.51
CCOC(=O)CC1=CN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013462843	1	37	-2.0	-106.65	340.91	1.77	-104.88
CCOC(=O)CC1=CN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013462844	1	39	-2.0	-110.25	348.26	4.94	-105.31
CCOC(=O)CC1=CN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013462845	0	43	-2.0	-99.97	389.81	7.80	-92.17
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013462846	1	40	-2.0	-107.21	355.73	6.56	-100.65
CCOC(=O)CC1=CN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013462847	1	39	-2.0	-108.11	346.65	6.47	-101.64
CCOC(=O)CC1=CN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013462848	1	43	-2.0	-110.71	367.36	7.94	-102.77
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013462849	1	43	-2.0	-106.38	363.67	7.32	-99.06
CCOC(=O)CC1=CN=C([N-]C(=O)NCCCC(=O)[O-])S1	REAL300013462850	1	36	-2.0	-102.81	334.32	4.27	-98.54
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013462851	1	43	-2.0	-113.92	370.04	7.63	-106.29
CCOC(=O)CC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013462852	1	44	-2.0	-114.00	375.39	4.25	-109.75
CCOC(=O)CC1=CN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013462853	1	42	-2.0	-102.69	367.61	5.17	-97.52
CCOC(=O)CC1=CN=C([N-]C(=O)NCC(CC)(CC)C(=O)[O-])S1	REAL300013462854	1	45	-2.0	-115.71	375.21	6.13	-109.58
CCOC(=O)CC1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013462855	1	40	-2.0	-121.14	354.26	5.71	-115.43
CCOC(=O)CC1=CN=C([N-]C(=O)NCC(C)C(=O)[O-])S1	REAL300013462856	1	36	-2.0	-109.10	330.48	4.22	-104.88
CCOC(=O)CC1=CN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013462857	1	42	-2.0	-117.19	370.11	5.42	-111.77
CCOC(=O)CC1=CN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013462858	1	49	-2.0	-112.22	409.28	7.42	-104.80
CCOC(=O)CC1=CN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013462859	1	46	-2.0	-120.63	403.20	7.59	-113.04
CCOC(=O)CC1=CN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013462860	1	40	-2.0	-102.37	355.73	5.55	-96.82
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013462861	1	46	-2.0	-103.73	391.05	8.52	-95.21
CCOC(=O)CC1=CN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013462862	1	42	-2.0	-107.28	367.45	5.17	-102.11
CCOC(=O)CC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013462863	1	43	-2.0	-117.55	371.01	6.06	-111.49
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013462864	1	43	-2.0	-108.01	370.08	7.64	-100.37
CCOC(=O)CC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013462865	1	40	-2.0	-116.80	354.80	5.63	-111.17
CCOC(=O)CC1=CN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013462866	1	43	-2.0	-115.81	379.83	6.26	-109.55
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013462867	1	43	-2.0	-106.38	363.67	7.32	-99.06
CCOC(=O)CC1=CN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013462868	1	48	-2.0	-117.63	400.82	6.70	-110.93
CCOC(=O)CC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013462869	1	37	-2.0	-115.30	339.60	5.10	-110.20
CCOC(=O)CC1=CN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013462870	1	40	-2.0	-129.26	365.72	6.48	-122.78
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)S1	REAL300013462871	1	44	-2.0	-120.02	387.89	5.58	-114.44
CCOC(=O)CC1=CN=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013462872	1	37	-2.0	-104.11	339.46	4.83	-99.28
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013462874	1	40	-2.0	-112.05	350.55	7.07	-104.98
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013462875	1	40	-2.0	-112.51	351.69	7.11	-105.40
CCOC(=O)CC1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013462876	1	37	-2.0	-103.79	339.27	4.88	-98.91
CCOC(=O)CC1=CN=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013462877	1	37	-2.0	-103.81	339.26	4.88	-98.93
CCOC(=O)CC1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013462878	1	40	-2.0	-109.44	372.08	6.38	-103.06
CCOC(=O)CC1=CN=C([N-]C(=O)NCC(CC)C(=O)[O-])S1	REAL300013462879	1	39	-2.0	-113.63	348.30	5.05	-108.58
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013462880	1	46	-2.0	-125.58	384.41	8.46	-117.12
CCOC(=O)CC1=CN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013462881	1	48	-2.0	-100.41	420.31	7.40	-93.01
CCOC(=O)CC1=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013462882	1	45	-2.0	-102.17	398.81	6.62	-95.55
CCOC(=O)CC1=CN=C([N-]C(=O)N(C)CCCC(=O)[O-])S1	REAL300013462883	1	39	-2.0	-112.22	354.06	6.96	-105.26
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013462884	1	43	-2.0	-111.67	366.32	7.80	-103.87
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)S1	REAL300013462885	1	47	-2.0	-115.75	398.33	6.98	-108.77
CCOC(=O)CC1=CN=C([N-]C(=O)N(CCOC)CCC(=O)[O-])S1	REAL300013462886	1	43	-2.0	-113.55	385.72	6.30	-107.25
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013462887	1	46	-2.0	-109.37	391.35	8.52	-100.85
CCOC(=O)CC1=CN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013462888	1	44	-2.0	-131.64	383.90	9.68	-121.96
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013462889	1	41	-2.0	-97.75	363.15	5.74	-92.01
CCOC(=O)CC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013462890	1	43	-2.0	-111.44	366.44	7.65	-103.79
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013462891	1	41	-2.0	-109.67	360.64	4.64	-105.03
CCOC(=O)CC1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013462892	1	44	-2.0	-104.84	390.28	7.38	-97.46
CCOC(=O)CC1=CN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013462893	1	47	-2.0	-136.98	400.38	6.58	-130.40
CCOC(=O)CC1=CN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013462894	0	37	-2.0	-109.59	348.79	7.00	-102.59
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)S1	REAL300013462895	1	47	-2.0	-110.19	394.63	7.24	-102.95
CCOC(=O)CC1=CN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013462896	1	38	-2.0	-107.13	349.53	5.06	-102.07
CCOC(=O)CC1=CN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013462897	1	49	-2.0	-120.71	395.72	7.05	-113.66
CCOC(=O)CC1=CN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013462898	1	43	-2.0	-108.79	368.96	6.45	-102.34
CCOC(=O)CC1=CN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013462899	1	46	-2.0	-101.08	393.15	6.75	-94.33
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013462900	1	43	-2.0	-103.63	368.74	7.75	-95.88
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013462901	1	44	-2.0	-104.89	385.34	7.17	-97.72
CCOC(=O)CC1=CN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013462902	1	43	-2.0	-104.87	374.71	6.05	-98.82
CCOC(=O)CC1=CN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013462903	1	43	-2.0	-104.48	369.75	6.46	-98.02
CCOC(=O)CC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013462904	1	44	-2.0	-118.01	376.66	4.65	-113.36
CCOC(=O)CC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013462905	1	41	-2.0	-113.04	361.46	3.61	-109.43
CCOC(=O)CC1=CN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013462906	1	41	-2.0	-133.14	359.41	7.30	-125.84
CCOC(=O)CC1=CN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013462907	1	38	-2.0	-108.61	350.94	5.56	-103.05
CCOC(=O)CC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013462908	1	37	-2.0	-115.30	339.60	5.10	-110.20
CCOC(=O)CC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013462909	1	44	-2.0	-108.75	379.68	7.72	-101.03
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013462910	1	40	-2.0	-114.33	371.34	6.76	-107.57
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013462911	1	41	-2.0	-110.05	358.89	6.31	-103.74
CCOC(=O)CC1=CN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013462912	1	44	-2.0	-109.81	383.77	6.06	-103.75
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013462913	1	37	-2.0	-108.09	336.58	5.97	-102.12
CCOC(=O)CC1=CN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013462914	1	38	-2.0	-105.99	350.51	5.57	-100.42
CCOC(=O)CC1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013462915	1	46	-2.0	-125.52	378.48	7.46	-118.06
CCOC(=O)CC1=CN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013462916	1	39	-2.0	-105.84	354.08	5.27	-100.57
CCC1=CSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013464222	0	34	-2.0	-93.82	309.98	5.41	-88.41
CCC1=CSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013464223	1	34	-2.0	-92.06	313.64	4.81	-87.25
CCC1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013464224	1	34	-2.0	-99.35	313.64	4.80	-94.55
CCC1=CSC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013464225	1	44	-2.0	-99.22	364.70	8.83	-90.39
CCC1=CSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013464226	0	37	-2.0	-90.84	331.38	6.22	-84.62
CCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013464227	1	38	-2.0	-104.96	315.97	2.85	-102.11
CCC1=CSC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013464228	1	45	-2.0	-93.39	372.17	6.33	-87.06
CCC1=CSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013464229	1	43	-2.0	-100.70	348.26	5.25	-95.45
CCC1=CSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013464230	1	40	-2.0	-108.05	339.37	6.26	-101.79
CCC1=CSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013464231	1	40	-2.0	-94.27	332.63	6.95	-87.32
CCC1=CSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013464232	1	36	-2.0	-95.84	309.02	3.57	-92.27
CCC1=CSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013464233	1	42	-2.0	-104.67	342.06	5.09	-99.58
CCC1=CSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013464234	1	34	-2.0	-116.69	307.29	4.89	-111.80
CCC1=CSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)=N1	REAL300013464235	1	38	-2.0	-109.06	329.46	3.99	-105.07
CCC1=CSC([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013464237	1	44	-2.0	-120.80	370.49	6.93	-113.87
CCC1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013464238	1	34	-2.0	-99.35	313.64	4.80	-94.55
CCC1=CSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013464239	1	40	-2.0	-112.71	325.97	6.87	-105.84
CCC1=CSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013464240	1	42	-2.0	-91.19	361.87	5.82	-85.37
CCC1=CSC([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)=N1	REAL300013464241	1	41	-2.0	-103.89	339.89	5.40	-98.49
CCC1=CSC([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013464242	1	43	-2.0	-105.35	364.67	6.78	-98.57
CCC1=CSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013464243	1	40	-2.0	-98.15	332.91	6.94	-91.21
CCC1=CSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013464244	1	38	-2.0	-119.35	325.55	8.06	-111.29
CCC1=CSC([N-]C(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)=N1	REAL300013464245	1	45	-2.0	-93.39	380.22	5.13	-88.26
CCC1=CSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013464246	1	35	-2.0	-88.77	304.71	4.18	-84.59
CCC1=CSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013464247	1	41	-2.0	-111.75	353.16	7.85	-103.90
CCC1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013464248	1	38	-2.0	-95.32	331.84	5.79	-89.53
CCC1=CSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013464249	1	41	-2.0	-125.68	341.94	5.01	-120.67
CCC1=CSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300013464250	1	41	-2.0	-99.87	336.20	5.67	-94.20
CCC1=CSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013464251	1	43	-2.0	-110.97	337.30	5.45	-105.52
CCC1=CSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013464252	1	40	-2.0	-92.16	334.70	5.18	-86.98
CCC1=CSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013464253	1	38	-2.0	-95.20	326.92	5.59	-89.61
CCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013464254	1	38	-2.0	-106.80	318.21	3.07	-103.73
CCC1=CSC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013464255	1	46	-2.0	-89.74	388.27	7.18	-82.56
CCC1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013464256	1	38	-2.0	-99.76	321.25	6.14	-93.62
CCC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013464257	1	34	-2.0	-95.96	312.23	5.15	-90.81
CCC1=CSC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013464258	1	38	-2.0	-97.94	325.32	4.49	-93.45
CCC1=CSC([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013464259	1	43	-2.0	-93.34	371.12	4.06	-89.28
CCC1=CSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013464260	0	38	-2.0	-97.57	343.24	6.91	-90.66
CCC1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013464261	1	40	-2.0	-113.52	320.04	5.88	-107.64
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013471235	1	40	-2.0	-105.36	348.43	6.59	-98.77
CCOC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013471236	0	40	-2.0	-101.58	365.08	6.44	-95.14
CCOC(=O)CC1=CSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013471237	1	40	-2.0	-99.66	368.76	5.83	-93.83
CCOC(=O)CC1=CSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013471238	1	42	-2.0	-99.40	357.54	4.67	-94.73
CCOC(=O)CC1=CSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013471239	1	38	-2.0	-106.13	340.01	4.98	-101.15
CCOC(=O)CC1=CSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013471240	1	43	-2.0	-102.08	371.40	5.49	-96.59
CCOC(=O)CC1=CSC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013471241	1	39	-2.0	-101.22	352.50	4.50	-96.72
CCOC(=O)CC1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013471242	1	40	-2.0	-107.79	368.77	5.82	-101.97
CCOC(=O)CC1=CSC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013471243	1	33	-2.0	-104.97	309.50	2.94	-102.03
CCOC(=O)CC1=CSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013471244	1	42	-2.0	-99.33	374.00	5.28	-94.05
CCOC(=O)CC1=CSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013471245	1	37	-2.0	-103.13	337.59	1.21	-101.92
CCOC(=O)CC1=CSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013471246	1	39	-2.0	-105.97	344.94	4.40	-101.57
CCOC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013471247	0	43	-2.0	-98.21	386.48	7.25	-90.96
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013471248	1	40	-2.0	-103.61	352.39	6.00	-97.61
CCOC(=O)CC1=CSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013471249	1	39	-2.0	-104.15	342.45	5.87	-98.28
CCOC(=O)CC1=CSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013471250	1	43	-2.0	-112.24	368.72	7.12	-105.12
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013471251	1	43	-2.0	-104.39	360.33	6.78	-97.61
CCOC(=O)CC1=CSC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013471252	1	36	-2.0	-100.83	331.00	3.72	-97.11
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013471253	1	43	-2.0	-109.09	366.69	7.07	-102.02
CCOC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013471254	1	44	-2.0	-112.25	372.05	3.70	-108.55
CCOC(=O)CC1=CSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013471255	1	42	-2.0	-100.98	364.28	4.62	-96.36
CCOC(=O)CC1=CSC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N1	REAL300013471256	1	45	-2.0	-116.33	376.59	5.42	-110.91
CCOC(=O)CC1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013471257	1	40	-2.0	-118.86	351.20	5.03	-113.83
CCOC(=O)CC1=CSC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013471258	1	36	-2.0	-105.32	328.86	3.73	-101.59
CCOC(=O)CC1=CSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013471259	1	42	-2.0	-115.26	366.80	4.87	-110.39
CCOC(=O)CC1=CSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013471260	1	49	-2.0	-108.98	405.97	6.88	-102.10
CCOC(=O)CC1=CSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013471261	1	46	-2.0	-117.25	394.50	7.28	-109.97
CCOC(=O)CC1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013471262	1	40	-2.0	-100.75	352.43	5.01	-95.74
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013471263	1	46	-2.0	-102.22	387.74	7.98	-94.24
CCOC(=O)CC1=CSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013471264	1	42	-2.0	-103.48	364.13	4.60	-98.88
CCOC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013471265	1	43	-2.0	-115.86	367.67	5.50	-110.36
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013471266	1	43	-2.0	-103.21	363.76	7.01	-96.20
CCOC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013471267	1	40	-2.0	-115.23	351.48	5.07	-110.16
CCOC(=O)CC1=CSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013471268	1	43	-2.0	-111.53	376.52	5.71	-105.82
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013471269	1	43	-2.0	-104.39	360.33	6.78	-97.61
CCOC(=O)CC1=CSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013471270	1	48	-2.0	-103.55	402.66	6.28	-97.27
CCOC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013471271	1	37	-2.0	-114.82	336.64	4.66	-110.16
CCOC(=O)CC1=CSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013471272	1	40	-2.0	-126.06	362.40	5.91	-120.15
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)=N1	REAL300013471273	1	44	-2.0	-116.62	384.55	5.02	-111.60
CCOC(=O)CC1=CSC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013471274	1	37	-2.0	-102.55	336.44	4.28	-98.27
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013471276	1	40	-2.0	-107.30	347.22	6.53	-100.77
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013471277	1	40	-2.0	-107.76	348.36	6.58	-101.18
CCOC(=O)CC1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013471278	1	37	-2.0	-101.57	335.95	4.34	-97.23
CCOC(=O)CC1=CSC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013471279	1	37	-2.0	-101.63	335.94	4.34	-97.29
CCOC(=O)CC1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013471280	1	40	-2.0	-107.79	368.77	5.82	-101.97
CCOC(=O)CC1=CSC([N-]C(=O)NCC(CC)C(=O)[O-])=N1	REAL300013471281	1	39	-2.0	-112.83	350.00	4.40	-108.43
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013471282	1	46	-2.0	-119.69	381.07	7.90	-111.79
CCOC(=O)CC1=CSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013471283	1	48	-2.0	-98.44	417.00	6.84	-91.60
CCOC(=O)CC1=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013471284	1	45	-2.0	-99.61	395.50	6.06	-93.55
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013471285	1	43	-2.0	-106.94	363.00	7.24	-99.70
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)=N1	REAL300013471286	1	47	-2.0	-111.08	395.01	6.42	-104.66
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013471287	1	46	-2.0	-105.35	388.01	7.97	-97.38
CCOC(=O)CC1=CSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013471288	1	44	-2.0	-126.25	380.59	9.08	-117.17
CCOC(=O)CC1=CSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013471289	1	41	-2.0	-96.58	359.82	5.20	-91.38
CCOC(=O)CC1=CSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013471290	1	43	-2.0	-112.67	363.10	7.10	-105.57
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013471291	1	41	-2.0	-105.61	357.32	4.09	-101.52
CCOC(=O)CC1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013471292	1	44	-2.0	-103.10	386.97	6.81	-96.29
CCOC(=O)CC1=CSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013471293	1	47	-2.0	-131.88	397.05	6.04	-125.84
CCOC(=O)CC1=CSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013471294	0	37	-2.0	-106.07	345.47	6.44	-99.63
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300013471295	1	47	-2.0	-108.46	391.28	6.70	-101.76
CCOC(=O)CC1=CSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013471296	1	38	-2.0	-103.31	346.28	4.53	-98.78
CCOC(=O)CC1=CSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013471297	1	49	-2.0	-118.21	392.42	6.48	-111.73
CCOC(=O)CC1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013471298	1	43	-2.0	-107.57	366.96	5.93	-101.64
CCOC(=O)CC1=CSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013471299	1	46	-2.0	-100.04	391.15	6.22	-93.82
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013471300	1	43	-2.0	-102.98	365.42	7.20	-95.78
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013471301	1	44	-2.0	-103.24	382.03	6.62	-96.62
CCOC(=O)CC1=CSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013471302	1	43	-2.0	-102.79	371.37	5.51	-97.28
CCOC(=O)CC1=CSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013471303	1	43	-2.0	-101.99	370.86	5.49	-96.50
CCOC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013471304	1	44	-2.0	-115.91	373.33	4.09	-111.82
CCOC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013471305	1	41	-2.0	-111.58	358.14	3.05	-108.53
CCOC(=O)CC1=CSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013471306	1	41	-2.0	-128.34	356.09	6.73	-121.61
CCOC(=O)CC1=CSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013471307	1	38	-2.0	-107.27	347.62	5.01	-102.26
CCOC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013471308	1	37	-2.0	-114.82	336.64	4.66	-110.16
CCOC(=O)CC1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013471309	1	44	-2.0	-108.25	376.33	7.17	-101.08
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013471310	1	40	-2.0	-111.18	368.00	6.20	-104.98
CCOC(=O)CC1=CSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013471311	1	41	-2.0	-105.74	355.54	5.74	-100.00
CCOC(=O)CC1=CSC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013471312	1	44	-2.0	-105.40	380.43	5.52	-99.88
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013471313	1	37	-2.0	-104.30	333.27	5.40	-98.90
CCOC(=O)CC1=CSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013471314	1	38	-2.0	-102.82	347.14	5.02	-97.80
CCOC(=O)CC1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013471315	1	46	-2.0	-123.05	375.16	6.90	-116.15
CCOC(=O)CC1=CSC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013471316	1	39	-2.0	-104.17	350.76	4.71	-99.46
CC1=CSC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013471984	1	41	-2.0	-98.94	343.54	8.04	-90.90
CC1=CSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013471985	0	34	-2.0	-90.63	310.23	5.43	-85.20
CC1=CSC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013471986	1	42	-2.0	-93.25	351.00	5.54	-87.71
CC1=CSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013471987	1	40	-2.0	-100.49	327.12	4.46	-96.03
CC1=CSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013471988	1	37	-2.0	-107.59	318.24	5.47	-102.12
CC1=CSC([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013471989	1	41	-2.0	-120.24	349.35	6.15	-114.09
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C)=CS2)C1	REAL300013471990	1	38	-2.0	-103.59	318.76	4.61	-98.98
CC1=CSC([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013471991	1	40	-2.0	-102.78	344.29	6.15	-96.63
CC1=CSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013471992	1	35	-2.0	-118.99	304.33	7.27	-111.72
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC(C)=CS2)CCO1	REAL300013471993	1	42	-2.0	-93.20	359.81	4.37	-88.83
CC1=CSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013471994	1	38	-2.0	-102.85	333.92	7.13	-95.72
CC1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013471995	1	35	-2.0	-95.04	310.70	5.00	-90.04
CC1=CSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013471996	1	38	-2.0	-125.31	320.80	4.23	-121.08
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C)=CS2)CC1	REAL300013471997	1	38	-2.0	-99.56	315.08	4.89	-94.67
CC1=CSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013471998	1	40	-2.0	-109.12	316.00	4.70	-104.42
CC1=CSC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013471999	1	43	-2.0	-89.58	367.72	6.40	-83.18
CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013472000	1	31	-2.0	-95.63	291.07	4.37	-91.26
CC1=CSC([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013472001	1	40	-2.0	-93.17	349.99	3.29	-89.88
CC1=CSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013472002	0	35	-2.0	-97.30	322.11	6.12	-91.18
CCCC1=CSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013475216	0	37	-2.0	-93.97	331.49	6.19	-87.78
CCCC1=CSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013475217	1	37	-2.0	-92.26	335.14	5.59	-86.67
CCCC1=CSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013475218	1	40	-2.0	-95.01	337.77	5.25	-89.76
CCCC1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013475219	1	37	-2.0	-99.68	335.15	5.58	-94.10
CCCC1=CSC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013475220	1	47	-2.0	-99.49	386.19	9.60	-89.89
CCCC1=CSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013475221	0	40	-2.0	-90.96	352.88	6.99	-83.97
CCCC1=CSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013475222	1	40	-2.0	-103.39	330.45	7.12	-96.27
CCCC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013475223	1	40	-2.0	-97.41	326.72	6.52	-90.89
CCCC1=CSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013475224	1	40	-2.0	-101.83	333.09	6.82	-95.01
CCCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013475225	1	41	-2.0	-105.28	337.47	3.63	-101.65
CCCC1=CSC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N1	REAL300013475226	1	42	-2.0	-106.76	340.32	5.49	-101.27
CCCC1=CSC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013475227	1	48	-2.0	-93.53	393.65	7.11	-86.42
CCCC1=CSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013475228	1	46	-2.0	-101.16	372.35	6.62	-94.54
CCCC1=CSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013475229	1	43	-2.0	-109.81	366.26	6.79	-103.02
CCCC1=CSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013475230	1	43	-2.0	-94.50	354.13	7.73	-86.77
CCCC1=CSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013475231	1	39	-2.0	-96.07	330.52	4.35	-91.72
CCCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013475232	1	40	-2.0	-106.95	334.07	5.25	-101.70
CCCC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013475233	1	40	-2.0	-98.02	333.14	6.84	-91.18
CCCC1=CSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013475234	1	40	-2.0	-104.44	342.90	5.46	-98.98
CCCC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013475235	1	40	-2.0	-97.41	326.72	6.52	-90.89
CCCC1=CSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013475236	1	45	-2.0	-107.65	363.90	5.85	-101.80
CCCC1=CSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013475237	1	37	-2.0	-117.06	328.76	5.70	-111.36
CCCC1=CSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)=N1	REAL300013475238	1	41	-2.0	-109.41	350.94	4.77	-104.64
CCCC1=CSC([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013475240	1	47	-2.0	-106.94	396.77	7.56	-99.38
CCCC1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013475241	1	37	-2.0	-99.68	335.15	5.58	-94.10
CCCC1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)=N1	REAL300013475242	1	47	-2.0	-102.14	397.63	7.57	-94.57
CCCC1=CSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013475243	1	43	-2.0	-112.92	347.47	7.64	-105.28
CCCC1=CSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013475244	1	45	-2.0	-91.39	383.38	6.60	-84.79
CCCC1=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013475245	1	42	-2.0	-92.58	361.88	5.81	-86.77
CCCC1=CSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013475246	1	40	-2.0	-99.77	329.39	6.99	-92.78
CCCC1=CSC([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)=N1	REAL300013475247	1	44	-2.0	-103.98	361.39	6.17	-97.81
CCCC1=CSC([N-]C(=O)N(CCOC)CCC(=O)[O-])=N1	REAL300013475248	1	40	-2.0	-106.61	348.82	5.50	-101.11
CCCC1=CSC([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013475249	1	46	-2.0	-103.42	386.91	7.71	-95.71
CCCC1=CSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013475250	1	43	-2.0	-98.33	354.41	7.72	-90.61
CCCC1=CSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013475251	1	41	-2.0	-119.56	346.97	8.83	-110.73
CCCC1=CSC([N-]C(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)=N1	REAL300013475252	1	48	-2.0	-93.54	402.45	5.93	-87.61
CCCC1=CSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013475253	1	38	-2.0	-88.96	326.21	4.95	-84.01
CCCC1=CSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013475254	1	40	-2.0	-103.96	329.49	6.84	-97.12
CCCC1=CSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013475255	1	44	-2.0	-103.56	376.56	8.69	-94.87
CCCC1=CSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013475256	1	38	-2.0	-98.53	323.71	3.84	-94.69
CCCC1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013475257	1	41	-2.0	-95.51	353.35	6.57	-88.94
CCCC1=CSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013475258	1	44	-2.0	-125.89	363.44	5.78	-120.11
CCCC1=CSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013475259	0	34	-2.0	-98.91	311.85	6.20	-92.71
CCCC1=CSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300013475260	1	44	-2.0	-100.23	357.68	6.44	-93.79
CCCC1=CSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013475261	1	46	-2.0	-108.68	358.78	6.24	-102.44
CCCC1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013475262	1	40	-2.0	-100.09	333.36	5.68	-94.41
CCCC1=CSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013475263	1	43	-2.0	-92.31	356.23	5.96	-86.35
CCCC1=CSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013475264	1	40	-2.0	-94.95	331.82	6.95	-88.00
CCCC1=CSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013475265	1	41	-2.0	-95.47	348.41	6.37	-89.10
CCCC1=CSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013475266	1	40	-2.0	-95.08	337.76	5.25	-89.83
CCCC1=CSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013475267	1	40	-2.0	-95.35	332.82	5.66	-89.69
CCCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013475268	1	41	-2.0	-107.03	339.72	3.84	-103.19
CCCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013475269	1	38	-2.0	-103.90	324.53	2.81	-101.09
CCCC1=CSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013475270	1	38	-2.0	-121.59	322.48	6.49	-115.10
CCCC1=CSC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013475271	1	49	-2.0	-89.89	410.36	7.96	-81.93
CCCC1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013475272	1	41	-2.0	-100.13	342.73	6.91	-93.22
CCCC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013475273	1	37	-2.0	-102.42	334.39	5.94	-96.48
CCCC1=CSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013475274	1	38	-2.0	-98.59	321.95	5.51	-93.08
CCCC1=CSC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013475275	1	41	-2.0	-98.13	346.83	5.26	-92.87
CCCC1=CSC([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013475276	1	46	-2.0	-93.42	392.61	4.83	-88.59
CCCC1=CSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013475277	0	41	-2.0	-97.71	364.74	7.69	-90.02
CCCC1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013475278	1	43	-2.0	-113.98	341.55	6.65	-107.33
CCCC1=CN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013475447	0	37	-2.0	-98.15	333.99	6.83	-91.32
CCCC1=CN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013475448	1	37	-2.0	-95.51	337.66	6.22	-89.29
CCCC1=CN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013475449	1	40	-2.0	-100.17	340.29	5.88	-94.29
CCCC1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013475450	1	37	-2.0	-103.63	337.66	6.21	-97.42
CCCC1=CN=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013475451	1	47	-2.0	-104.56	388.69	10.23	-94.33
CCCC1=CN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013475452	0	40	-2.0	-94.85	355.39	7.64	-87.21
CCCC1=CN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013475453	1	40	-2.0	-105.19	332.97	7.75	-97.44
CCCC1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013475454	1	40	-2.0	-101.68	329.24	7.16	-94.52
CCCC1=CN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013475455	1	40	-2.0	-108.65	335.61	7.45	-101.20
CCCC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013475456	1	41	-2.0	-108.03	340.97	4.09	-103.94
CCCC1=CN=C([N-]C(=O)NCC(CC)(CC)C(=O)[O-])S1	REAL300013475457	1	42	-2.0	-111.42	342.83	6.12	-105.30
CCCC1=CN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013475458	1	48	-2.0	-97.70	396.16	7.74	-89.96
CCCC1=CN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013475459	1	46	-2.0	-106.05	372.27	6.66	-99.39
CCCC1=CN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013475460	1	43	-2.0	-114.82	368.77	7.43	-107.39
CCCC1=CN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013475461	1	43	-2.0	-98.19	356.62	8.36	-89.83
CCCC1=CN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013475462	1	39	-2.0	-102.01	333.02	4.99	-97.02
CCCC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013475463	1	40	-2.0	-111.56	336.58	5.89	-105.67
CCCC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013475464	1	40	-2.0	-102.24	335.65	7.47	-94.77
CCCC1=CN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013475465	1	40	-2.0	-110.98	345.40	6.10	-104.88
CCCC1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013475466	1	40	-2.0	-101.68	329.24	7.16	-94.52
CCCC1=CN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013475467	1	45	-2.0	-113.93	366.41	6.49	-107.44
CCCC1=CN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013475468	1	37	-2.0	-122.96	331.26	6.33	-116.63
CCCC1=CN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)S1	REAL300013475469	1	41	-2.0	-115.28	353.47	5.41	-109.87
CCCC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)S1	REAL300013475471	1	47	-2.0	-125.03	394.51	8.34	-116.69
CCCC1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013475472	1	37	-2.0	-103.63	337.66	6.21	-97.42
CCCC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)S1	REAL300013475473	1	47	-2.0	-105.10	400.16	8.21	-96.89
CCCC1=CN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013475474	1	43	-2.0	-120.32	349.99	8.29	-112.03
CCCC1=CN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013475475	1	45	-2.0	-95.37	385.89	7.23	-88.14
CCCC1=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013475476	1	42	-2.0	-97.05	364.39	6.45	-90.60
CCCC1=CN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013475477	1	40	-2.0	-106.37	331.90	7.65	-98.72
CCCC1=CN=C([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)S1	REAL300013475478	1	44	-2.0	-110.71	363.90	6.81	-103.90
CCCC1=CN=C([N-]C(=O)N(CCOC)CCC(=O)[O-])S1	REAL300013475479	1	40	-2.0	-108.05	351.29	6.14	-101.91
CCCC1=CN=C([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)S1	REAL300013475480	1	46	-2.0	-109.32	389.44	8.36	-100.96
CCCC1=CN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013475481	1	43	-2.0	-104.22	356.92	8.35	-95.87
CCCC1=CN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013475482	1	41	-2.0	-127.16	349.48	9.52	-117.64
CCCC1=CN=C([N-]C(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)S1	REAL300013475483	1	48	-2.0	-98.60	404.96	6.56	-92.04
CCCC1=CN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013475484	1	38	-2.0	-92.52	328.72	5.59	-86.93
CCCC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013475485	1	40	-2.0	-105.90	332.01	7.48	-98.42
CCCC1=CN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013475486	1	44	-2.0	-107.27	379.06	9.33	-97.94
CCCC1=CN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013475487	1	38	-2.0	-104.72	326.15	4.46	-100.26
CCCC1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013475488	1	41	-2.0	-99.63	355.86	7.20	-92.43
CCCC1=CN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013475489	1	44	-2.0	-132.85	365.96	6.41	-126.44
CCCC1=CN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013475490	0	34	-2.0	-104.64	314.36	6.83	-97.81
CCCC1=CN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)S1	REAL300013475491	1	44	-2.0	-104.30	360.20	7.08	-97.22
CCCC1=CN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013475492	1	46	-2.0	-114.61	361.29	6.89	-107.72
CCCC1=CN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013475493	1	40	-2.0	-102.92	334.54	6.26	-96.66
CCCC1=CN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013475494	1	43	-2.0	-96.51	360.03	6.62	-89.89
CCCC1=CN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013475495	1	40	-2.0	-98.18	334.31	7.58	-90.60
CCCC1=CN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013475496	1	41	-2.0	-99.23	350.91	7.00	-92.23
CCCC1=CN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013475497	1	40	-2.0	-99.42	340.30	5.88	-93.54
CCCC1=CN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013475498	1	40	-2.0	-99.05	335.33	6.29	-92.76
CCCC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013475499	1	41	-2.0	-112.06	342.23	4.46	-107.60
CCCC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013475500	1	38	-2.0	-108.07	327.04	3.44	-104.63
CCCC1=CN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013475501	1	38	-2.0	-128.51	324.98	7.13	-121.38
CCCC1=CN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013475502	1	49	-2.0	-93.41	412.87	8.60	-84.81
CCCC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013475503	1	41	-2.0	-103.43	345.25	7.56	-95.87
CCCC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013475504	1	37	-2.0	-101.79	336.23	6.57	-95.22
CCCC1=CN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013475505	1	38	-2.0	-104.85	324.45	6.14	-98.71
CCCC1=CN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013475506	1	41	-2.0	-104.59	349.34	5.89	-98.70
CCCC1=CN=C([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)S1	REAL300013475507	1	46	-2.0	-97.40	395.12	5.47	-91.93
CCCC1=CN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013475508	0	41	-2.0	-106.28	367.25	8.33	-97.95
CCCC1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013475509	1	43	-2.0	-119.03	344.06	7.30	-111.73
O=C([O-])CCCCNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013476435	1	46	-2.0	-116.58	402.05	5.04	-111.54
O=C([O-])CCNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013476436	1	40	-2.0	-117.93	359.06	3.46	-114.47
CC(O)(CNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013476437	1	44	-2.0	-114.79	387.56	1.81	-112.98
CC(C)(CNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013476438	1	46	-2.0	-120.53	394.49	4.92	-115.61
CC(CN(C)C(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013476439	1	46	-2.0	-99.57	390.70	6.42	-93.15
O=C([O-])CCCNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300013476440	1	43	-2.0	-110.43	380.55	4.26	-106.17
CC(CNC(=O)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013476441	1	43	-2.0	-119.10	376.73	4.21	-114.89
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CC1=NOC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013476463	0	34	-2.0	-99.67	309.36	3.87	-95.80
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CCC1=NN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013478665	0	33	-2.0	-97.30	311.18	4.16	-93.14
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CCC1=NN=C([N-]C(=O)NCC(CC)(CC)C(=O)[O-])S1	REAL300013478670	0	38	-2.0	-111.68	314.30	3.89	-107.79
CCC1=NN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013478671	0	44	-2.0	-99.78	369.69	5.67	-94.11
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CCC1=NN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013478709	0	37	-2.0	-105.46	340.77	6.27	-99.19
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C=CCSC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013479469	0	38	-2.0	-102.28	338.97	6.18	-96.10
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C=CCSC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013479472	0	39	-2.0	-107.61	350.70	3.13	-104.48
C=CCSC1=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013479473	0	37	-2.0	-97.82	342.33	4.01	-93.81
C=CCSC1=NN=C([N-]C(=O)NCC(CC)(CC)C(=O)[O-])S1	REAL300013479474	0	40	-2.0	-110.45	350.52	4.99	-105.46
C=CCSC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013479475	0	35	-2.0	-114.87	329.57	4.59	-110.28
C=CCSC1=NN=C([N-]C(=O)NCC(C)C(=O)[O-])S1	REAL300013479476	0	31	-2.0	-104.58	306.68	3.11	-101.47
C=CCSC1=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013479477	0	37	-2.0	-109.69	339.15	4.44	-105.25
C=CCSC1=NN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013479478	0	44	-2.0	-107.09	385.02	6.28	-100.81
C=CCSC1=NN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013479479	0	41	-2.0	-112.72	373.12	6.71	-106.01
C=CCSC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013479480	0	35	-2.0	-97.44	331.04	4.43	-93.01
C=CCSC1=NN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013479481	0	41	-2.0	-99.03	366.36	7.40	-91.63
C=CCSC1=NN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013479482	0	37	-2.0	-102.44	342.75	4.03	-98.41
C=CCSC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013479483	0	38	-2.0	-112.03	348.09	5.20	-106.83
C=CCSC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013479484	0	38	-2.0	-99.48	338.95	6.67	-92.81
C=CCSC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013479485	0	35	-2.0	-109.69	331.01	4.35	-105.34
C=CCSC1=NN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013479486	0	38	-2.0	-111.38	355.13	5.14	-106.24
C=CCSC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013479487	0	38	-2.0	-102.28	338.97	6.18	-96.10
C=CCSC1=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013479488	0	43	-2.0	-114.28	376.14	5.53	-108.75
C=CCSC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013479489	0	32	-2.0	-108.86	314.91	3.97	-104.89
C=CCSC1=NN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013479490	0	35	-2.0	-122.59	341.02	5.34	-117.25
C=CCSC1=NN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)S1	REAL300013479491	0	39	-2.0	-112.35	361.64	4.46	-107.89
C=CCSC1=NN=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013479492	0	32	-2.0	-99.27	314.70	3.71	-95.56
C=CCSC1=NN=C([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300013479493	0	40	-2.0	-96.04	363.12	2.77	-93.27
C=CCSC1=NN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013479494	0	35	-2.0	-107.56	326.54	5.95	-101.61
C=CCSC1=NN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013479495	0	35	-2.0	-107.79	326.99	5.97	-101.82
C=CCSC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013479496	0	32	-2.0	-99.37	315.09	3.71	-95.66
C=CCSC1=NN=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013479497	0	32	-2.0	-98.86	314.99	3.76	-95.10
C=CCSC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013479498	0	35	-2.0	-103.97	347.39	5.25	-98.72
C=CCSC1=NN=C([N-]C(=O)NCC(CC)C(=O)[O-])S1	REAL300013479499	0	34	-2.0	-108.67	323.71	4.03	-104.64
C=CCSC1=NN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013479500	0	41	-2.0	-122.54	359.72	7.33	-115.21
C=CCSC1=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013479501	0	43	-2.0	-96.19	395.62	6.27	-89.92
C=CCSC1=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013479502	0	40	-2.0	-97.91	374.12	5.49	-92.42
C=CCSC1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013479503	0	38	-2.0	-107.20	341.60	6.68	-100.52
C=CCSC1=NN=C([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)S1	REAL300013479504	0	42	-2.0	-111.48	373.64	5.84	-105.64
C=CCSC1=NN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013479505	0	41	-2.0	-105.34	366.69	7.38	-97.96
C=CCSC1=NN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013479506	0	39	-2.0	-128.11	359.21	8.55	-119.56
C=CCSC1=NN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013479507	0	36	-2.0	-93.02	338.45	4.62	-88.40
C=CCSC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013479508	0	38	-2.0	-105.67	341.74	6.51	-99.16
C=CCSC1=NN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013479509	0	42	-2.0	-106.90	388.80	8.37	-98.53
C=CCSC1=NN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013479510	0	36	-2.0	-105.33	335.95	3.50	-101.83
C=CCSC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013479511	0	39	-2.0	-99.90	365.59	6.24	-93.66
C=CCSC1=NN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013479512	0	42	-2.0	-134.62	375.69	5.46	-129.16
C=CCSC1=NN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013479513	0	32	-2.0	-105.43	324.09	5.86	-99.57
C=CCSC1=NN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)S1	REAL300013479514	0	42	-2.0	-104.81	371.16	5.36	-99.45
C=CCSC1=NN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013479515	0	33	-2.0	-102.91	324.84	3.94	-98.97
C=CCSC1=NN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013479516	0	44	-2.0	-116.23	370.88	5.94	-110.29
C=CCSC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013479517	0	38	-2.0	-103.10	344.27	5.30	-97.80
C=CCSC1=NN=C([N-]C(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013479518	0	41	-2.0	-96.71	368.46	5.63	-91.08
C=CCSC1=NN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013479519	0	38	-2.0	-98.52	344.05	6.62	-91.90
C=CCSC1=NN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013479520	0	39	-2.0	-100.12	360.65	6.05	-94.07
C=CCSC1=NN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013479521	0	38	-2.0	-99.77	350.01	4.92	-94.85
C=CCSC1=NN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013479522	0	38	-2.0	-99.46	349.50	4.91	-94.55
C=CCSC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013479523	0	39	-2.0	-111.53	351.97	3.51	-108.02
C=CCSC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013479524	0	36	-2.0	-106.11	336.06	2.63	-103.48
C=CCSC1=NN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013479525	0	36	-2.0	-102.21	330.83	6.08	-96.13
C=CCSC1=NN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013479526	0	33	-2.0	-102.80	326.50	4.42	-98.38
C=CCSC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013479527	0	32	-2.0	-108.86	314.91	3.97	-104.89
C=CCSC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013479528	0	39	-2.0	-102.38	353.87	6.55	-95.83
C=CCSC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013479529	0	35	-2.0	-108.28	346.65	5.63	-102.65
C=CCSC1=NN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013479530	0	36	-2.0	-105.49	334.19	5.18	-100.31
C=CCSC1=NN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013479531	0	39	-2.0	-105.09	359.06	4.93	-100.16
C=CCSC1=NN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013479532	0	39	-2.0	-104.14	376.98	7.37	-96.77
C=CCSC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013479533	0	32	-2.0	-103.51	311.54	4.84	-98.67
C=CCSC1=NN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013479534	0	33	-2.0	-101.54	325.51	4.45	-97.09
C=CCSC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013479535	0	41	-2.0	-119.40	353.78	6.33	-113.07
C=CCSC1=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013479536	0	34	-2.0	-100.54	329.38	4.14	-96.40
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013479541	0	39	-2.0	-103.77	330.59	6.29	-97.48
CC(C)CC1=NN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013479542	0	39	-2.0	-100.21	347.25	6.15	-94.06
CC(C)CC1=NN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013479543	0	39	-2.0	-97.90	349.66	5.41	-92.49
CC(C)CC1=NN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013479544	0	41	-2.0	-97.97	338.48	4.23	-93.74
CC(C)CC1=NN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013479545	0	37	-2.0	-107.83	322.16	4.65	-103.18
CC(C)CC1=NN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013479546	0	42	-2.0	-103.22	352.33	5.07	-98.15
CC(C)CC1=NN=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013479547	0	38	-2.0	-101.49	334.66	4.20	-97.29
CC(C)CC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013479548	0	39	-2.0	-105.99	349.70	5.40	-100.59
CC(C)CC1=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013479549	0	41	-2.0	-98.76	354.93	4.86	-93.90
CC(C)CC1=NN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013479550	0	36	-2.0	-103.87	318.94	0.85	-103.02
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013479551	0	49	-2.0	-107.01	400.73	9.41	-97.60
CC(C)CC1=NN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013479552	0	38	-2.0	-107.41	327.10	4.08	-103.33
CC(C)CC1=NN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013479553	0	42	-2.0	-97.28	367.42	6.82	-90.46
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013479554	0	39	-2.0	-115.88	333.16	5.68	-110.20
CC(C)CC1=NN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013479555	0	38	-2.0	-112.73	325.33	5.73	-107.00
CC(C)CC1=NN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013479556	0	42	-2.0	-106.60	350.87	6.79	-99.81
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013479557	0	42	-2.0	-103.75	342.51	6.46	-97.29
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013479558	0	42	-2.0	-110.96	341.27	6.48	-104.48
CC(C)CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013479559	0	43	-2.0	-110.94	350.32	3.48	-107.46
CC(C)CC1=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013479560	0	41	-2.0	-99.80	345.23	4.18	-95.62
CCC(CC)(CNC(=O)[N-]C1=NN=C(CC(C)C)S1)C(=O)[O-]	REAL300013479561	0	44	-2.0	-112.31	354.05	5.27	-107.04
CC(C)CC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013479562	0	39	-2.0	-117.42	331.84	4.73	-112.69
CC(C)CC1=NN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013479563	0	50	-2.0	-100.43	408.21	6.91	-93.52
CC(C)CC1=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013479564	0	41	-2.0	-112.05	341.46	4.58	-107.47
CC(C)CC1=NN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013479565	0	48	-2.0	-109.15	387.25	6.42	-102.73
CC(C)CC1=NN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013479566	0	45	-2.0	-114.84	376.65	6.98	-107.86
CC(C)CC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013479567	0	39	-2.0	-99.09	334.58	4.70	-94.39
CC(C)CC1=NN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013479568	0	45	-2.0	-100.80	368.68	7.55	-93.25
CC(C)CC1=NN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013479569	0	41	-2.0	-117.47	345.72	4.08	-113.39
CC(C)CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013479570	0	42	-2.0	-114.43	350.31	5.34	-109.09
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013479571	0	42	-2.0	-101.21	341.25	6.81	-94.40
CC(C)CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013479572	0	39	-2.0	-111.90	333.28	4.50	-107.40
CC(C)CC1=NN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013479573	0	42	-2.0	-113.64	357.45	5.29	-108.35
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013479574	0	42	-2.0	-103.75	342.51	6.46	-97.29
CC(C)CC1=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013479575	0	47	-2.0	-101.85	383.77	5.89	-95.96
CC(C)CC1=NN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013479576	0	39	-2.0	-124.99	344.53	5.65	-119.34
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC(C)C)S2)C1	REAL300013479577	0	43	-2.0	-117.17	366.73	4.72	-112.45
CC(C)CC1=NN=C([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300013479578	0	44	-2.0	-97.95	365.36	2.92	-95.03
CC(C)CC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)S1	REAL300013479579	0	49	-2.0	-127.20	407.76	7.66	-119.54
CC(C)CC1=NN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013479580	0	39	-2.0	-109.91	328.77	6.09	-103.82
CC(C)CC1=NN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013479581	0	39	-2.0	-109.82	330.52	6.24	-103.58
CC(C)CC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013479582	0	39	-2.0	-105.99	349.70	5.40	-100.59
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NN=C(CC(C)C)S1)CC2C(=O)[O-]	REAL300013479583	0	49	-2.0	-108.18	412.02	7.42	-100.76
CCC(CNC(=O)[N-]C1=NN=C(CC(C)C)S1)C(=O)[O-]	REAL300013479584	0	38	-2.0	-110.68	327.24	4.31	-106.37
CC(C)CC1=NN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013479585	0	45	-2.0	-124.96	362.60	7.51	-117.45
CC(C)CC1=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013479586	0	47	-2.0	-97.71	399.16	6.55	-91.16
CC(C)CC1=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013479587	0	44	-2.0	-99.80	376.43	5.64	-94.16
CC(C)CC1=NN=C([N-]C(=O)N(C)CCCC(=O)[O-])S1	REAL300013479588	0	38	-2.0	-110.31	332.91	6.09	-104.22
CC(C)CC1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013479589	0	42	-2.0	-109.43	343.83	6.82	-102.61
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(CC(C)C)S2)C1	REAL300013479590	0	46	-2.0	-113.34	377.17	6.12	-107.22
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(CC(C)C)S1	REAL300013479591	0	42	-2.0	-109.09	364.59	5.44	-103.65
CC(C)CC1=NN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013479592	0	45	-2.0	-107.14	370.18	7.65	-99.49
CC(C)CC1=NN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013479593	0	43	-2.0	-130.04	362.74	8.83	-121.21
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NN=C(CC(C)C)S2)CCO1	REAL300013479594	0	50	-2.0	-101.17	418.23	5.88	-95.29
CC(C)CC1=NN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013479595	0	40	-2.0	-94.49	341.98	4.88	-89.61
CC(C)CC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013479596	0	42	-2.0	-107.76	345.19	6.70	-101.06
CC(C)CC1=NN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013479597	0	46	-2.0	-108.94	391.07	8.52	-100.42
CC(C)CC1=NN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013479598	0	40	-2.0	-107.53	338.22	3.64	-103.89
CC(C)CC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013479599	0	43	-2.0	-101.85	367.86	6.39	-95.46
CC(C)CC1=NN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013479600	0	46	-2.0	-136.77	377.96	5.60	-131.17
CC(C)CC1=NN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013479601	0	36	-2.0	-107.67	326.36	6.02	-101.65
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC(C)C)S2)CC1	REAL300013479602	0	46	-2.0	-106.77	372.17	6.25	-100.52
CC(C)CC1=NN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013479603	0	37	-2.0	-104.75	328.37	4.21	-100.54
CC(C)CC1=NN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013479604	0	48	-2.0	-118.05	374.41	6.21	-111.84
CC(C)CC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013479605	0	42	-2.0	-105.00	346.54	5.46	-99.54
CC(C)CC1=NN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013479606	0	45	-2.0	-98.66	373.30	5.93	-92.73
CC(C)CC1=NN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013479607	0	42	-2.0	-100.05	347.59	6.89	-93.16
CC(C)CC1=NN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013479608	0	43	-2.0	-101.93	362.97	6.19	-95.74
CC(C)CC1=NN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013479609	0	42	-2.0	-101.12	353.03	5.19	-95.93
CC(C)CC1=NN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013479610	0	42	-2.0	-101.77	352.28	5.07	-96.70
CC(C)CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013479611	0	43	-2.0	-113.94	354.19	3.65	-110.29
CC(C)CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013479612	0	40	-2.0	-109.84	339.08	2.63	-107.21
CC(C)CC1=NN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013479613	0	40	-2.0	-104.06	334.37	6.35	-97.71
CC(C)CC1=NN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013479614	0	51	-2.0	-95.53	425.55	7.92	-87.61
CC(C)CC1=NN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013479615	0	37	-2.0	-104.86	328.73	4.56	-100.30
CC(C)CC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013479616	0	43	-2.0	-104.37	356.11	6.70	-97.67
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013479617	0	39	-2.0	-103.86	349.50	5.89	-97.97
CC(C)CC1=NN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013479618	0	40	-2.0	-107.73	336.50	5.33	-102.40
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(CC(C)C)S2)C1	REAL300013479619	0	43	-2.0	-107.42	361.34	5.07	-102.35
CC(C)CC1=NN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013479620	0	43	-2.0	-109.56	380.52	7.64	-101.92
CC(C)CC1=NN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013479621	0	37	-2.0	-103.55	327.78	4.60	-98.95
CC(C)CC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013479622	0	45	-2.0	-121.95	356.05	6.47	-115.48
CC(C)CC1=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013479623	0	38	-2.0	-102.25	332.92	4.42	-97.83
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)CC1	REAL300013479794	0	41	-2.0	-101.15	380.57	8.55	-92.60
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300013479795	0	43	-2.0	-95.33	389.67	6.62	-88.71
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)CCO1	REAL300013479796	0	39	-2.0	-104.99	372.14	6.91	-98.08
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300013479797	0	40	-2.0	-98.97	384.63	6.46	-92.51
O=C([O-])CCNC(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300013479798	0	34	-2.0	-103.04	341.64	4.88	-98.16
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300013479799	0	43	-2.0	-96.14	406.13	7.24	-88.90
CC(O)(CNC(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013479800	0	38	-2.0	-100.71	370.14	3.23	-97.48
CC(C)(CNC(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013479801	0	40	-2.0	-104.51	377.08	6.34	-98.17
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)C1	REAL300013479802	0	41	-2.0	-112.90	383.12	7.94	-104.96
CC(CN(C)C(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013479803	0	40	-2.0	-102.86	374.59	7.82	-95.04
O=C([O-])CCCNC(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300013479804	0	37	-2.0	-97.22	363.14	5.68	-91.54
CC(C)(CCNC(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013479805	0	43	-2.0	-97.02	396.42	6.56	-90.46
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)CCC1	REAL300013479806	0	41	-2.0	-113.81	383.08	7.12	-106.69
CC(CNC(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013479807	0	37	-2.0	-103.64	360.19	5.64	-98.00
CC(C)C(CNC(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013479808	0	43	-2.0	-108.79	392.66	6.97	-101.82
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)C1	REAL300013479809	0	41	-2.0	-96.67	384.56	6.96	-89.71
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)CCC1	REAL300013479810	0	41	-2.0	-109.27	383.61	7.03	-102.24
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)CC1	REAL300013479811	0	38	-2.0	-108.44	368.78	6.62	-101.82
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)C1	REAL300013479812	0	38	-2.0	-98.43	368.57	6.24	-92.19
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)C1	REAL300013479813	0	41	-2.0	-106.68	380.05	8.48	-98.20
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)C1	REAL300013479814	0	41	-2.0	-106.82	380.50	8.50	-98.32
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)C1	REAL300013479815	0	38	-2.0	-98.58	368.61	6.24	-92.34
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)C1	REAL300013479816	0	38	-2.0	-98.07	368.50	6.29	-91.78
CCC(CNC(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013479817	0	40	-2.0	-107.70	377.22	6.56	-101.14
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(SCC4=CC=C(F)C=C4)S3)(C1)C2	REAL300013479818	0	39	-2.0	-102.04	378.35	6.47	-95.57
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NN=C(SCC3=CC=C(F)C=C3)S1)C2	REAL300013479819	0	39	-2.0	-101.95	380.01	6.95	-95.00
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)CC1	REAL300013479820	0	38	-2.0	-108.44	368.78	6.62	-101.82
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(SCC3=CC=C(F)C=C3)S2)C1	REAL300013479821	0	38	-2.0	-102.60	365.04	7.37	-95.23
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(SCC3=CC=C(F)C=C3)S1)C2	REAL300013479822	0	39	-2.0	-100.61	379.02	6.98	-93.63
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300013479823	0	40	-2.0	-99.68	382.89	6.68	-93.00
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CC1	REAL300013479824	0	41	-2.0	-103.21	374.15	8.48	-94.73
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300013479825	0	43	-2.0	-97.26	383.26	6.54	-90.72
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CCO1	REAL300013479826	0	39	-2.0	-107.04	365.76	6.84	-100.20
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CC1	REAL300013479827	0	44	-2.0	-102.40	397.12	7.39	-95.01
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300013479828	0	40	-2.0	-100.95	378.22	6.39	-94.56
O=C([O-])CCNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300013479829	0	34	-2.0	-105.07	335.22	4.82	-100.25
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300013479830	0	43	-2.0	-98.06	399.72	7.17	-90.89
CC(O)(CNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013479831	0	38	-2.0	-102.77	363.73	3.16	-99.61
CC(C)(CNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013479832	0	40	-2.0	-106.40	370.08	6.28	-100.12
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)C1	REAL300013479833	0	41	-2.0	-115.17	376.71	7.87	-107.30
CC(CN(C)C(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013479834	0	40	-2.0	-105.01	368.17	7.75	-97.26
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)C1	REAL300013479835	0	44	-2.0	-106.27	394.44	8.99	-97.28
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CC1	REAL300013479836	0	44	-2.0	-103.42	386.07	8.65	-94.77
O=C([O-])CCCNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300013479837	0	37	-2.0	-99.07	356.72	5.61	-93.46
CC1CCN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CC1C(=O)[O-]	REAL300013479838	0	44	-2.0	-110.13	384.83	8.66	-101.47
CC(C)(CCNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013479839	0	43	-2.0	-98.91	389.42	6.49	-92.42
CCC(CC)(CNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013479840	0	46	-2.0	-112.14	399.66	7.63	-104.51
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CCC1	REAL300013479841	0	41	-2.0	-116.27	376.67	7.05	-109.22
CC(CNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013479842	0	37	-2.0	-105.30	352.89	5.55	-99.75
CC(C)C(CNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013479843	0	43	-2.0	-111.89	392.51	6.76	-105.13
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)C1	REAL300013479844	0	41	-2.0	-98.56	378.14	6.89	-91.67
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CCCC1	REAL300013479845	0	44	-2.0	-113.17	395.18	7.66	-105.51
CC1CN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CCC1C(=O)[O-]	REAL300013479846	0	44	-2.0	-100.66	386.04	9.13	-91.53
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CCC1	REAL300013479847	0	41	-2.0	-110.82	378.10	6.82	-104.00
O=C([O-])CC(CNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1)C1CC1	REAL300013479848	0	44	-2.0	-112.42	402.23	7.60	-104.82
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CC1	REAL300013479849	0	44	-2.0	-103.42	386.07	8.65	-94.77
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CC1	REAL300013479850	0	38	-2.0	-109.96	362.00	6.44	-103.52
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)C1	REAL300013479851	0	38	-2.0	-100.36	362.15	6.17	-94.19
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)C1	REAL300013479852	0	41	-2.0	-108.78	373.64	8.41	-100.37
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)C1	REAL300013479853	0	41	-2.0	-108.88	374.09	8.43	-100.45
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)C1	REAL300013479854	0	38	-2.0	-100.48	362.19	6.17	-94.31
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)C1	REAL300013479855	0	38	-2.0	-100.02	362.09	6.22	-93.80
CCC(CNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013479856	0	40	-2.0	-110.64	375.72	6.28	-104.36
O=C([O-])CCCCCCNC(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300013479857	0	46	-2.0	-99.00	421.22	7.95	-91.05
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)C1	REAL300013479858	0	44	-2.0	-108.35	388.69	9.14	-99.21
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300013479859	0	44	-2.0	-107.25	390.05	9.03	-98.22
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)C1	REAL300013479860	0	42	-2.0	-106.45	383.05	5.96	-100.49
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)=C1	REAL300013479861	0	38	-2.0	-106.65	371.18	8.33	-98.32
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(SCC4=CC=CC=C4)S3)(C1)C2	REAL300013479862	0	39	-2.0	-104.11	371.93	6.40	-97.71
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CC1	REAL300013479863	0	44	-2.0	-104.26	391.37	7.78	-96.48
O=C([O-])CC1CCN(C(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)CC1	REAL300013479864	0	44	-2.0	-99.63	391.14	9.09	-90.54
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NN=C(SCC3=CC=CC=C3)S2)C1	REAL300013479865	0	44	-2.0	-100.47	396.59	7.37	-93.10
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CCCCC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013480020	0	39	-2.0	-105.16	354.18	5.70	-99.46
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CCCCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013480026	0	39	-2.0	-103.53	337.82	5.88	-97.65
CCCCC1=NN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013480027	0	38	-2.0	-111.78	329.79	6.03	-105.75
CCCCC1=NN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013480028	0	42	-2.0	-105.87	354.13	6.96	-98.91
CCCCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013480029	0	42	-2.0	-103.25	345.76	6.63	-96.62
CCCCC1=NN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013480030	0	42	-2.0	-110.44	344.52	6.64	-103.80
CCCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013480031	0	43	-2.0	-110.76	356.50	3.75	-107.01
CCCCC1=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013480032	0	41	-2.0	-98.98	349.12	4.47	-94.51
CCCCC1=NN=C([N-]C(=O)NCC(CC)(CC)C(=O)[O-])S1	REAL300013480033	0	44	-2.0	-112.15	359.35	5.61	-106.54
CCCCC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013480034	0	39	-2.0	-116.24	336.36	5.03	-111.21
CCCCC1=NN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013480035	0	50	-2.0	-99.61	412.68	7.22	-92.39
CCCCC1=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013480036	0	41	-2.0	-110.97	345.94	4.88	-106.09
CCCCC1=NN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013480037	0	48	-2.0	-108.23	391.84	6.73	-101.50
CCCCC1=NN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013480038	0	45	-2.0	-114.11	379.91	7.15	-106.96
CCCCC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013480039	0	39	-2.0	-98.45	337.83	4.88	-93.57
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CCCCC1=NN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013480041	0	41	-2.0	-116.53	350.24	4.38	-112.15
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CCCCC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013480094	0	45	-2.0	-120.71	360.57	6.77	-113.94
CCCCC1=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013480095	0	38	-2.0	-101.66	336.17	4.59	-97.07
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CC1=CN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013480097	0	34	-2.0	-94.80	312.41	6.08	-88.72
CC1=CN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013480098	1	42	-2.0	-97.58	353.17	6.17	-91.41
CC1=CN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013480099	1	40	-2.0	-105.96	329.29	5.10	-100.86
CC1=CN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013480100	1	37	-2.0	-112.89	320.41	6.10	-106.79
CC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)S1	REAL300013480101	1	41	-2.0	-124.33	351.52	6.78	-117.55
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC=C(C)S1)CC2C(=O)[O-]	REAL300013480102	1	41	-2.0	-104.84	357.18	6.65	-98.19
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(C)S2)C1	REAL300013480103	1	38	-2.0	-110.43	320.92	5.25	-105.18
CC1=CN=C([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)S1	REAL300013480104	1	40	-2.0	-111.48	345.69	6.64	-104.84
CC1=CN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013480105	1	35	-2.0	-126.83	306.50	7.96	-118.87
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC=C(C)S2)CCO1	REAL300013480106	1	42	-2.0	-98.52	361.98	5.01	-93.51
CC1=CN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013480107	1	38	-2.0	-107.01	336.09	7.77	-99.24
CC1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013480108	1	35	-2.0	-100.86	317.35	5.87	-94.99
CC1=CN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013480109	1	38	-2.0	-132.56	322.97	4.85	-127.71
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C)S2)CC1	REAL300013480110	1	38	-2.0	-103.95	317.22	5.50	-98.45
CC1=CN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013480111	1	40	-2.0	-117.27	318.32	5.30	-111.97
CC1=CN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013480112	1	43	-2.0	-93.33	369.31	7.03	-86.30
CC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013480113	1	31	-2.0	-101.45	293.24	5.01	-96.44
CC1=CN=C([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)S1	REAL300013480114	1	40	-2.0	-97.41	352.14	3.91	-93.50
CC1=CN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013480115	0	35	-2.0	-106.18	324.27	6.77	-99.41
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013483291	1	41	-2.0	-103.35	338.31	8.08	-95.27
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300013483292	0	41	-2.0	-99.68	354.97	7.69	-91.99
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013483293	1	41	-2.0	-97.39	358.64	7.18	-90.21
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300013483294	1	43	-2.0	-97.58	347.41	5.84	-91.74
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300013483295	1	39	-2.0	-106.87	329.91	6.44	-100.43
CC1=CC=CC=C1C1=NOC([N-]C(=O)N(C)CCC(=O)[O-])=C1	REAL300013483296	1	37	-2.0	-108.58	319.12	7.06	-101.52
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300013483297	1	44	-2.0	-102.28	361.27	6.83	-95.45
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCCCCC(=O)[O-])=C1	REAL300013483298	1	40	-2.0	-100.85	342.37	5.85	-95.00
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013483299	1	41	-2.0	-105.26	358.64	7.17	-98.09
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCCCCCC(=O)[O-])=C1	REAL300013483300	1	43	-2.0	-98.13	363.87	6.63	-91.50
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300013483301	1	38	-2.0	-102.75	327.88	2.62	-100.13
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013483302	1	40	-2.0	-106.31	334.23	5.74	-100.57
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300013483303	0	44	-2.0	-96.56	376.37	8.50	-88.06
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300013483304	1	41	-2.0	-102.92	340.85	7.38	-95.54
CC1=CC=CC=C1C1=NOC([N-]C(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300013483305	1	40	-2.0	-111.03	333.44	7.61	-103.42
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300013483306	1	44	-2.0	-106.98	357.91	8.56	-98.42
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013483307	1	44	-2.0	-103.58	350.23	8.26	-95.32
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCCCC(=O)[O-])=C1	REAL300013483308	1	37	-2.0	-99.23	320.87	5.07	-94.16
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300013483309	1	44	-2.0	-110.28	356.59	8.55	-101.73
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013483310	1	45	-2.0	-109.35	361.95	5.05	-104.30
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013483311	1	43	-2.0	-99.13	353.58	5.93	-93.20
CCC(CC)(CNC(=O)[N-]C1=CC(C2=CC=CC=C2C)=NO1)C(=O)[O-]	REAL300013483312	1	46	-2.0	-113.41	366.47	6.75	-106.66
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300013483313	1	41	-2.0	-116.99	340.82	6.42	-110.57
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC(C)C(=O)[O-])=C1	REAL300013483314	1	37	-2.0	-105.56	318.74	5.06	-100.50
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013483315	1	43	-2.0	-111.13	351.41	6.32	-104.81
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300013483316	1	50	-2.0	-108.32	396.27	8.19	-100.13
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013483317	1	47	-2.0	-114.54	384.37	8.62	-105.92
CC1=CC=CC=C1C1=NOC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013483318	1	41	-2.0	-98.81	342.29	6.34	-92.47
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=C1	REAL300013483319	1	47	-2.0	-100.26	377.61	9.47	-90.79
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300013483320	1	43	-2.0	-103.66	354.00	6.04	-97.62
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013483321	1	44	-2.0	-112.74	357.57	6.85	-105.89
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=C1	REAL300013483322	1	44	-2.0	-104.09	356.64	8.56	-95.53
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013483323	1	41	-2.0	-111.48	342.26	6.27	-105.21
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013483324	1	44	-2.0	-112.62	366.38	7.06	-105.56
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013483325	1	44	-2.0	-103.58	350.23	8.26	-95.32
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013483326	1	49	-2.0	-112.57	387.05	7.45	-105.12
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013483327	1	38	-2.0	-111.27	326.52	6.01	-105.26
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013483328	1	41	-2.0	-124.39	352.27	7.26	-117.13
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3C)=NO2)C1	REAL300013483329	1	45	-2.0	-116.75	374.44	6.45	-110.30
CC1=CC=CC=C1C1=NOC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013483330	1	38	-2.0	-100.58	326.31	5.61	-94.97
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013483332	1	41	-2.0	-108.64	337.79	8.02	-100.62
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013483333	1	41	-2.0	-108.85	338.26	8.02	-100.83
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013483334	1	38	-2.0	-100.08	325.82	5.65	-94.43
CC1=CC=CC=C1C1=NOC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013483335	1	38	-2.0	-100.13	325.81	5.66	-94.47
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013483336	1	41	-2.0	-105.26	358.64	7.17	-98.09
CCC(CNC(=O)[N-]C1=CC(C2=CC=CC=C2C)=NO1)C(=O)[O-]	REAL300013483337	1	40	-2.0	-111.09	339.87	5.73	-105.36
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=C1	REAL300013483338	1	47	-2.0	-123.86	371.51	9.22	-114.64
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCCCCCCCC(=O)[O-])=C1	REAL300013483339	1	49	-2.0	-97.35	406.87	8.19	-89.16
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCCCCCCC(=O)[O-])=C1	REAL300013483340	1	46	-2.0	-99.05	385.37	7.41	-91.64
CC1=CC=CC=C1C1=NOC([N-]C(=O)N(C)CCCC(=O)[O-])=C1	REAL300013483341	1	40	-2.0	-109.87	340.62	7.86	-102.01
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013483342	1	44	-2.0	-108.30	352.87	8.71	-99.59
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=CC(C3=CC=CC=C3C)=NO2)C1	REAL300013483343	1	48	-2.0	-111.31	383.68	8.53	-102.78
COCCN(CCC(=O)[O-])C(=O)[N-]C1=CC(C2=CC=CC=C2C)=NO1	REAL300013483344	1	44	-2.0	-110.03	372.31	7.22	-102.81
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300013483345	1	47	-2.0	-106.35	377.90	9.45	-96.90
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300013483346	1	45	-2.0	-130.08	370.46	10.31	-119.77
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300013483347	1	42	-2.0	-94.31	349.70	6.69	-87.62
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300013483348	1	44	-2.0	-107.97	354.21	8.63	-99.34
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1	REAL300013483349	1	48	-2.0	-116.82	398.16	10.29	-106.53
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013483350	1	42	-2.0	-106.52	347.20	5.57	-100.95
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300013483351	1	45	-2.0	-101.36	376.84	8.13	-93.23
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=C1	REAL300013483352	1	48	-2.0	-136.61	386.94	7.37	-129.24
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=C1	REAL300013483353	0	38	-2.0	-106.44	335.34	7.67	-98.77
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=CC(C3=CC=CC=C3C)=NO2)CC1	REAL300013483354	1	48	-2.0	-106.10	381.18	8.16	-97.94
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013483355	1	39	-2.0	-103.88	336.09	5.85	-98.03
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013483356	1	50	-2.0	-117.65	382.13	7.86	-109.79
CC1=CC=CC=C1C1=NOC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013483357	1	44	-2.0	-105.06	356.82	7.26	-97.80
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013483358	1	47	-2.0	-98.43	381.03	7.58	-90.85
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013483359	1	44	-2.0	-100.05	355.29	8.68	-91.37
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=C1	REAL300013483360	1	45	-2.0	-101.24	371.90	8.11	-93.13
CC1=CC=CC=C1C1=NOC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013483361	1	44	-2.0	-100.68	360.75	6.81	-93.87
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013483362	1	44	-2.0	-100.81	356.32	7.25	-93.56
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013483363	1	45	-2.0	-113.36	363.21	5.43	-107.93
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013483364	1	42	-2.0	-109.58	348.02	4.39	-105.19
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300013483365	1	42	-2.0	-130.76	346.03	8.13	-122.63
CC1=CC=CC=C1C1=NOC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013483366	1	39	-2.0	-104.29	337.75	6.32	-97.97
CC1=CC=CC=C1C1=NOC([N-]C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013483367	1	38	-2.0	-111.27	326.52	6.01	-105.26
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013483368	1	45	-2.0	-104.03	365.07	8.54	-95.49
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300013483369	1	41	-2.0	-103.06	357.21	7.62	-95.44
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013483370	1	42	-2.0	-106.55	345.45	7.24	-99.31
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=CC(C3=CC=CC=C3C)=NO2)C1	REAL300013483371	1	45	-2.0	-106.17	370.32	6.99	-99.18
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=C1	REAL300013483372	0	45	-2.0	-105.08	388.23	9.18	-95.90
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013483373	1	38	-2.0	-104.08	323.14	6.82	-97.26
CC1=CC=CC=C1C1=NOC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013483374	1	39	-2.0	-102.69	336.76	6.35	-96.34
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=C1	REAL300013483375	1	47	-2.0	-121.67	365.03	8.09	-113.58
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC(C)CCC(=O)[O-])=C1	REAL300013483376	1	40	-2.0	-101.98	340.63	6.05	-95.93
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1	REAL300013484225	1	44	-2.0	-102.63	357.79	8.73	-93.90
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)=C1	REAL300013484226	0	44	-2.0	-99.21	374.47	8.58	-90.63
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C=C1	REAL300013484227	1	44	-2.0	-96.56	378.12	7.97	-88.59
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013484228	1	46	-2.0	-96.62	366.90	6.79	-89.83
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCO1	REAL300013484229	1	42	-2.0	-106.46	349.40	7.09	-99.37
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013484230	1	40	-2.0	-107.85	338.60	7.72	-100.13
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1	REAL300013484231	1	47	-2.0	-101.21	380.76	7.63	-93.58
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013484232	1	43	-2.0	-100.05	361.86	6.63	-93.42
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(C3CCCCC3)S2)=CC=C1	REAL300013484233	1	44	-2.0	-104.69	378.13	7.96	-96.73
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013484234	1	46	-2.0	-97.16	383.36	7.42	-89.74
CC(O)(CNC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013484235	1	41	-2.0	-102.48	347.37	3.40	-99.08
CC(C)(CNC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013484236	1	43	-2.0	-105.97	353.72	6.52	-99.45
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)=C1	REAL300013484237	0	47	-2.0	-95.59	395.58	9.42	-86.17
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484238	1	44	-2.0	-102.65	360.35	8.08	-94.57
CC(CN(C)C(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013484239	1	43	-2.0	-103.99	351.81	8.00	-95.99
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484240	1	47	-2.0	-106.50	373.40	9.49	-97.01
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1	REAL300013484241	1	47	-2.0	-102.89	369.72	8.90	-93.99
O=C([O-])CCCNC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013484242	1	40	-2.0	-98.73	340.36	5.85	-92.88
CC1CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1C(=O)[O-]	REAL300013484243	1	47	-2.0	-109.49	368.50	8.91	-100.58
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCOCC1	REAL300013484244	1	48	-2.0	-111.28	380.45	6.02	-105.26
CC(C)(CCNC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013484245	1	46	-2.0	-98.60	373.07	6.73	-91.87
CCC(CC)(CNC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013484246	1	49	-2.0	-112.49	381.25	7.70	-104.79
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCC1	REAL300013484247	1	44	-2.0	-116.14	360.31	7.29	-108.85
CC(CNC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013484248	1	40	-2.0	-104.99	336.54	5.80	-99.19
CC(C)C(CNC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013484249	1	46	-2.0	-111.51	369.90	7.14	-104.37
CC(NC(=O)[N-]C1=NC=C(C2CCCCC2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013484250	1	53	-2.0	-107.35	412.75	8.40	-98.95
CC(CNC(=O)[N-]C1=NC=C(C2CCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013484251	1	50	-2.0	-116.24	409.24	9.18	-107.06
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484252	1	44	-2.0	-98.18	361.79	7.13	-91.05
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1	REAL300013484253	1	50	-2.0	-99.16	397.10	10.11	-89.05
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC=C(C3CCCCC3)S1)C2	REAL300013484254	1	46	-2.0	-103.20	373.50	6.74	-96.46
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCCC1	REAL300013484255	1	47	-2.0	-112.97	377.06	7.64	-105.33
CC1CN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCC1C(=O)[O-]	REAL300013484256	1	47	-2.0	-103.38	376.13	9.22	-94.16
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCC1	REAL300013484257	1	44	-2.0	-112.24	360.84	7.20	-105.04
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C1CC1	REAL300013484258	1	47	-2.0	-112.33	385.87	7.85	-104.48
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1	REAL300013484259	1	47	-2.0	-102.89	369.72	8.90	-93.99
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(C2CCCCC2)S1)CC(=O)[O-]	REAL300013484260	1	52	-2.0	-115.44	406.87	8.23	-107.21
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1	REAL300013484261	1	41	-2.0	-110.89	345.65	6.68	-104.21
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013484262	1	44	-2.0	-124.38	371.77	8.06	-116.32
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484263	1	48	-2.0	-113.15	392.37	7.17	-105.98
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484264	1	41	-2.0	-100.11	345.81	6.41	-93.70
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484266	1	44	-2.0	-108.13	357.28	8.66	-99.47
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484267	1	44	-2.0	-108.32	357.73	8.69	-99.63
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484268	1	41	-2.0	-99.48	345.32	6.46	-93.02
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484269	1	41	-2.0	-99.49	345.30	6.46	-93.03
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CCC(CNC(=O)[N-]C1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013484271	1	43	-2.0	-111.30	359.36	6.52	-104.78
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CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013484275	1	43	-2.0	-108.78	360.10	8.53	-100.25
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484276	1	47	-2.0	-107.60	372.37	9.38	-98.22
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484277	1	51	-2.0	-111.85	404.38	8.55	-103.30
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013484278	1	47	-2.0	-109.50	391.79	7.89	-101.61
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O=C([O-])C1CN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC2=CC=CC=C21	REAL300013484280	1	48	-2.0	-128.88	389.96	11.26	-117.62
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CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013484282	1	47	-2.0	-107.34	372.48	9.22	-98.12
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O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)=C1	REAL300013484287	0	41	-2.0	-105.83	354.83	8.58	-97.25
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1	REAL300013484288	1	51	-2.0	-105.43	400.69	8.84	-96.59
O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(C4CCCCC4)S3)(C1)C2	REAL300013484289	1	42	-2.0	-102.97	355.58	6.64	-96.33
O=C([O-])CC1(CNC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCCCC1	REAL300013484290	1	53	-2.0	-116.01	401.75	8.63	-107.38
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O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1	REAL300013484292	1	50	-2.0	-96.98	399.20	8.34	-88.64
O=C([O-])CC1CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1	REAL300013484293	1	47	-2.0	-99.35	374.79	9.34	-90.01
O=C([O-])COC1CCN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1	REAL300013484294	1	48	-2.0	-100.24	391.39	8.76	-91.48
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484295	1	47	-2.0	-100.52	380.75	7.63	-92.89
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CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCO1	REAL300013484304	1	45	-2.0	-105.99	364.93	7.89	-98.10
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300013484305	1	48	-2.0	-105.79	389.81	7.64	-98.15
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CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300013484310	1	43	-2.0	-101.28	360.12	6.85	-94.43
CN(CCC(=O)[O-])C(=O)[N-]C1=NC(CC2=CC=CC=C2Br)=CS1	REAL300013486036	1	37	-2.0	-100.97	351.35	8.01	-92.96
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CC(CNC(=O)[N-]C1=NC(CC2=CC=CC=C2Br)=CS1)C(=O)[O-]	REAL300013486039	1	37	-2.0	-98.62	350.15	6.11	-92.51
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CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013486043	1	43	-2.0	-93.00	362.42	6.63	-86.37
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CN(CCC(=O)[O-])C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013486045	1	37	-2.0	-101.27	334.14	7.57	-93.70
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CC1	REAL300013486046	1	44	-2.0	-95.98	376.29	7.47	-88.51
O=C([O-])CCCCNC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013486047	1	40	-2.0	-95.09	357.38	6.48	-88.61
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)=CC=C1	REAL300013486048	1	41	-2.0	-100.42	373.66	7.79	-92.63
O=C([O-])CCNC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013486049	1	34	-2.0	-98.60	314.39	4.90	-93.70
O=C([O-])CCCCCNC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300013486050	1	43	-2.0	-93.07	378.88	7.26	-85.81
CC(O)(CNC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013486051	1	38	-2.0	-96.72	342.47	3.19	-93.53
CC(C)(CNC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013486052	1	40	-2.0	-99.45	349.25	6.37	-93.08
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CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C1	REAL300013486054	1	41	-2.0	-97.17	357.30	7.97	-89.20
CC(CN(C)C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013486055	1	40	-2.0	-98.32	348.22	7.87	-90.45
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C1	REAL300013486056	1	44	-2.0	-104.40	373.60	9.08	-95.32
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CC1	REAL300013486057	1	44	-2.0	-98.48	365.23	8.75	-89.73
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CC1CCN(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CC1C(=O)[O-]	REAL300013486059	1	44	-2.0	-102.79	371.61	9.04	-93.75
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CC(C)(CCNC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013486061	1	43	-2.0	-94.50	369.18	6.58	-87.92
CCC(CC)(CNC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013486062	1	46	-2.0	-107.21	376.78	7.54	-99.67
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CC(CNC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013486064	1	37	-2.0	-98.65	332.04	5.64	-93.01
CC(C)C(CNC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013486065	1	43	-2.0	-106.41	365.42	6.98	-99.43
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COC(=O)CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013487366	1	37	-2.0	-105.18	326.57	5.68	-99.50
COC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013487367	0	37	-2.0	-101.47	343.22	5.53	-95.94
COC(=O)CC1=CSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013487368	1	37	-2.0	-99.51	346.90	4.92	-94.59
COC(=O)CC1=CSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013487369	1	39	-2.0	-99.33	335.67	3.74	-95.59
COC(=O)CC1=CSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013487370	1	35	-2.0	-106.05	318.15	4.05	-102.00
COC(=O)CC1=CSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013487371	1	40	-2.0	-101.99	349.54	4.58	-97.41
COC(=O)CC1=CSC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013487372	1	36	-2.0	-101.14	330.64	3.58	-97.56
COC(=O)CC1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013487373	1	37	-2.0	-107.57	346.90	4.91	-102.66
COC(=O)CC1=CSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013487374	1	39	-2.0	-99.33	352.14	4.36	-94.97
COC(=O)CC1=CSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013487375	1	34	-2.0	-102.99	315.73	0.29	-102.70
COC(=O)CC1=CSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013487376	1	36	-2.0	-105.63	322.49	3.49	-102.14
COC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013487377	0	40	-2.0	-98.17	364.62	6.33	-91.84
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013487378	1	37	-2.0	-103.42	330.53	5.09	-98.33
COC(=O)CC1=CSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013487379	1	36	-2.0	-104.03	320.59	4.95	-99.08
COC(=O)CC1=CSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013487380	1	40	-2.0	-111.95	346.85	6.20	-105.75
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013487381	1	40	-2.0	-104.25	338.47	5.86	-98.39
COC(=O)CC1=CSC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013487382	1	33	-2.0	-100.71	309.14	2.80	-97.91
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013487383	1	40	-2.0	-109.01	344.83	6.16	-102.85
COC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013487384	1	41	-2.0	-111.90	350.19	2.78	-109.12
COC(=O)CC1=CSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013487385	1	39	-2.0	-100.88	342.42	3.70	-97.18
CCC(CC)(CNC(=O)[N-]C1=NC(CC(=O)OC)=CS1)C(=O)[O-]	REAL300013487386	1	42	-2.0	-114.94	354.73	4.49	-110.45
COC(=O)CC1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013487387	1	37	-2.0	-118.62	329.34	4.12	-114.50
COC(=O)CC1=CSC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013487388	1	33	-2.0	-105.18	307.01	2.79	-102.39
COC(=O)CC1=CSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013487389	1	39	-2.0	-115.05	344.94	3.95	-111.10
COC(=O)CC1=CSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013487390	1	46	-2.0	-108.84	384.10	5.96	-102.88
COC(=O)CC1=CSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013487391	1	43	-2.0	-118.32	378.01	6.12	-112.20
COC(=O)CC1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013487392	1	37	-2.0	-100.60	330.55	4.09	-96.51
COC(=O)CC1=CSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013487393	1	43	-2.0	-102.14	365.87	7.06	-95.08
COC(=O)CC1=CSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013487394	1	39	-2.0	-103.34	342.27	3.68	-99.66
COC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013487395	1	40	-2.0	-115.50	345.81	4.59	-110.91
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013487396	1	40	-2.0	-103.02	341.89	6.08	-96.94
COC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013487397	1	37	-2.0	-114.90	329.62	4.15	-110.75
COC(=O)CC1=CSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013487398	1	40	-2.0	-111.36	354.65	4.79	-106.57
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013487399	1	40	-2.0	-104.25	338.47	5.86	-98.39
COC(=O)CC1=CSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013487400	1	45	-2.0	-113.54	375.63	5.23	-108.31
COC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013487401	1	34	-2.0	-114.49	314.77	3.74	-110.75
COC(=O)CC1=CSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013487402	1	37	-2.0	-125.81	340.54	5.00	-120.81
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CC(=O)OC)=CS2)C1	REAL300013487403	1	41	-2.0	-116.43	362.69	4.11	-112.32
COC(=O)CC1=CSC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013487404	1	34	-2.0	-102.49	314.61	3.36	-99.13
COC(=O)CC1=CSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013487406	1	37	-2.0	-107.20	326.06	5.61	-101.59
COC(=O)CC1=CSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013487407	1	37	-2.0	-107.69	326.49	5.65	-102.04
COC(=O)CC1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013487408	1	34	-2.0	-101.44	314.09	3.41	-98.03
COC(=O)CC1=CSC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013487409	1	34	-2.0	-101.55	314.15	3.42	-98.13
COC(=O)CC1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013487410	1	37	-2.0	-107.57	346.90	4.91	-102.66
CCC(CNC(=O)[N-]C1=NC(CC(=O)OC)=CS1)C(=O)[O-]	REAL300013487411	1	36	-2.0	-112.69	328.14	3.48	-109.21
COC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013487412	1	43	-2.0	-119.52	359.21	6.98	-112.54
COC(=O)CC1=CSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013487413	1	45	-2.0	-98.30	395.13	5.93	-92.37
COC(=O)CC1=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013487414	1	42	-2.0	-99.50	373.64	5.14	-94.36
COC(=O)CC1=CSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013487415	1	40	-2.0	-106.78	341.14	6.32	-100.46
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(CC(=O)OC)=CS2)C1	REAL300013487416	1	44	-2.0	-110.94	373.15	5.50	-105.44
COC(=O)CC1=CSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013487417	1	43	-2.0	-105.27	366.15	7.06	-98.21
COC(=O)CC1=CSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013487418	1	41	-2.0	-126.09	358.72	8.16	-117.93
COC(=O)CC1=CSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013487419	1	38	-2.0	-96.49	337.96	4.28	-92.21
COC(=O)CC1=CSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013487420	1	40	-2.0	-112.44	341.24	6.18	-106.26
COC(=O)CC1=CSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013487421	1	44	-2.0	-121.35	386.42	7.95	-113.40
COC(=O)CC1=CSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013487422	1	38	-2.0	-105.51	335.46	3.17	-102.34
COC(=O)CC1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013487423	1	41	-2.0	-102.95	365.10	5.90	-97.05
COC(=O)CC1=CSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013487424	1	44	-2.0	-131.67	375.18	5.12	-126.55
COC(=O)CC1=CSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013487425	0	34	-2.0	-105.94	323.60	5.52	-100.42
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CC(=O)OC)=CS2)CC1	REAL300013487426	1	44	-2.0	-108.26	369.43	5.77	-102.49
COC(=O)CC1=CSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013487427	1	35	-2.0	-103.27	324.42	3.62	-99.65
COC(=O)CC1=CSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013487428	1	46	-2.0	-117.95	370.55	5.56	-112.39
COC(=O)CC1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013487429	1	40	-2.0	-107.35	345.10	5.01	-102.34
COC(=O)CC1=CSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013487430	1	43	-2.0	-99.59	367.96	5.28	-94.31
COC(=O)CC1=CSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013487431	1	40	-2.0	-102.80	343.56	6.28	-96.52
COC(=O)CC1=CSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013487432	1	41	-2.0	-103.19	360.16	5.71	-97.48
COC(=O)CC1=CSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013487433	1	40	-2.0	-102.65	349.54	4.59	-98.06
COC(=O)CC1=CSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013487434	1	40	-2.0	-101.89	348.99	4.58	-97.31
COC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013487435	1	41	-2.0	-115.59	351.47	3.17	-112.42
COC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013487436	1	38	-2.0	-111.42	336.28	2.13	-109.29
COC(=O)CC1=CSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013487437	1	38	-2.0	-128.07	334.23	5.82	-122.25
COC(=O)CC1=CSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013487438	1	35	-2.0	-107.03	325.76	4.09	-102.94
COC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013487439	1	34	-2.0	-114.49	314.77	3.74	-110.75
COC(=O)CC1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013487440	1	41	-2.0	-107.99	354.47	6.25	-101.74
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013487441	1	37	-2.0	-110.78	346.14	5.28	-105.50
COC(=O)CC1=CSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013487442	1	38	-2.0	-105.65	333.68	4.83	-100.82
COC(=O)CC1=CSC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013487443	1	41	-2.0	-105.23	358.56	4.60	-100.63
COC(=O)CC1=CSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013487444	0	41	-2.0	-107.35	376.50	7.01	-100.34
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013487445	1	34	-2.0	-104.12	311.40	4.49	-99.63
COC(=O)CC1=CSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013487446	1	35	-2.0	-102.75	325.28	4.11	-98.64
COC(=O)CC1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013487447	1	43	-2.0	-122.84	353.31	5.98	-116.86
COC(=O)CC1=CSC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013487448	1	36	-2.0	-103.99	328.90	3.80	-100.19
CCCCCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013487489	0	42	-2.0	-103.12	355.34	7.22	-95.90
CCCCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013487490	0	42	-2.0	-99.67	372.01	7.10	-92.57
CCCCCC1=NN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013487491	0	42	-2.0	-97.01	375.67	6.49	-90.52
CCCCCC1=NN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013487492	0	44	-2.0	-97.03	364.45	5.31	-91.72
CCCCCC1=NN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013487493	0	40	-2.0	-107.13	346.92	5.60	-101.53
CCCCCC1=NN=C([N-]C(=O)N(C)CCC(=O)[O-])S1	REAL300013487494	0	38	-2.0	-108.69	336.16	6.23	-102.46
CCCCCC1=NN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013487495	0	45	-2.0	-102.36	378.31	6.15	-96.21
CCCCCC1=NN=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013487496	0	41	-2.0	-100.86	359.41	5.16	-95.70
CCCCCC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013487497	0	42	-2.0	-105.08	375.68	6.48	-98.60
CCCCCC1=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013487498	0	44	-2.0	-97.82	380.91	5.94	-91.88
CCCCCC1=NN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013487499	0	39	-2.0	-102.89	344.92	1.93	-100.96
CCCCCC1=NN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013487500	0	41	-2.0	-106.76	351.85	5.04	-101.72
CCCCCC1=NN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013487501	0	45	-2.0	-96.48	393.41	7.91	-88.57
CCCCCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013487502	0	42	-2.0	-103.51	359.32	6.66	-96.85
CCCCCC1=NN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013487503	0	41	-2.0	-111.18	350.48	6.78	-104.40
CCCCCC1=NN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013487504	0	45	-2.0	-105.85	375.62	7.74	-98.11
CCCCCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013487505	0	45	-2.0	-103.07	367.26	7.41	-95.66
CCCCCC1=NN=C([N-]C(=O)NCCCC(=O)[O-])S1	REAL300013487506	0	38	-2.0	-99.07	337.91	4.37	-94.70
CCCCCC1=NN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013487507	0	45	-2.0	-110.61	373.63	7.71	-102.90
CCCCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013487508	0	46	-2.0	-110.78	378.00	4.53	-106.25
CCCCCC1=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013487509	0	44	-2.0	-98.85	371.20	5.26	-93.59
CCCCCC1=NN=C([N-]C(=O)NCC(CC)(CC)C(=O)[O-])S1	REAL300013487510	0	47	-2.0	-111.61	378.80	6.22	-105.39
CCCCCC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013487511	0	42	-2.0	-116.25	357.86	5.81	-110.44
CCCCCC1=NN=C([N-]C(=O)NCC(C)C(=O)[O-])S1	REAL300013487512	0	38	-2.0	-105.45	334.08	4.32	-101.13
CCCCCC1=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013487513	0	44	-2.0	-111.05	367.44	5.66	-105.39
CCCCCC1=NN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013487514	0	51	-2.0	-108.14	413.33	7.51	-100.63
CCCCCC1=NN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013487515	0	48	-2.0	-115.58	406.79	7.70	-107.88
CCCCCC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013487516	0	42	-2.0	-98.45	359.33	5.66	-92.79
CCCCCC1=NN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013487517	0	48	-2.0	-99.85	394.64	8.62	-91.23
CCCCCC1=NN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013487518	0	44	-2.0	-103.65	371.04	5.26	-98.39
CCCCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013487519	0	45	-2.0	-113.39	376.37	6.43	-106.96
CCCCCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013487520	0	45	-2.0	-100.28	367.24	7.90	-92.38
CCCCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013487521	0	42	-2.0	-110.97	359.29	5.58	-105.39
CCCCCC1=NN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013487522	0	45	-2.0	-112.59	383.42	6.37	-106.22
CCCCCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013487523	0	45	-2.0	-103.07	367.26	7.41	-95.66
CCCCCC1=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013487524	0	50	-2.0	-115.50	404.43	6.76	-108.74
CCCCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013487525	0	39	-2.0	-110.71	343.55	5.31	-105.40
CCCCCC1=NN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013487526	0	42	-2.0	-124.20	369.31	6.57	-117.63
CCCCCC1=NN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)S1	REAL300013487527	0	46	-2.0	-113.66	389.92	5.69	-107.97
CCCCCC1=NN=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013487528	0	39	-2.0	-100.31	343.35	4.93	-95.38
CCCCCC1=NN=C([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300013487529	0	47	-2.0	-97.07	391.41	4.00	-93.07
CCCCCC1=NN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013487530	0	42	-2.0	-108.92	354.83	7.18	-101.74
CCCCCC1=NN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013487531	0	42	-2.0	-109.07	355.28	7.20	-101.87
CCCCCC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013487532	0	39	-2.0	-100.48	343.38	4.93	-95.55
CCCCCC1=NN=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013487533	0	39	-2.0	-99.89	342.87	4.98	-94.91
CCCCCC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013487534	0	42	-2.0	-105.08	375.68	6.48	-98.60
CCCCCC1=NN=C([N-]C(=O)NCC(CC)C(=O)[O-])S1	REAL300013487535	0	41	-2.0	-109.97	352.00	5.26	-104.71
CCCCCC1=NN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013487536	0	48	-2.0	-123.93	388.00	8.54	-115.39
CCCCCC1=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013487537	0	50	-2.0	-97.14	423.91	7.50	-89.64
CCCCCC1=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013487538	0	47	-2.0	-98.94	402.41	6.72	-92.22
CCCCCC1=NN=C([N-]C(=O)N(C)CCCC(=O)[O-])S1	REAL300013487539	0	41	-2.0	-109.65	357.66	7.04	-102.61
CCCCCC1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013487540	0	45	-2.0	-108.53	369.89	7.90	-100.63
CCCCCC1=NN=C([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)S1	REAL300013487541	0	49	-2.0	-112.71	401.93	7.07	-105.64
CCCCCC1=NN=C([N-]C(=O)N(CCOC)CCC(=O)[O-])S1	REAL300013487542	0	45	-2.0	-108.35	389.35	6.40	-101.95
CCCCCC1=NN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013487543	0	48	-2.0	-106.48	394.94	8.61	-97.87
CCCCCC1=NN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013487544	0	46	-2.0	-129.34	387.49	9.78	-119.56
CCCCCC1=NN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013487545	0	43	-2.0	-93.84	366.73	5.84	-88.00
CCCCCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013487546	0	45	-2.0	-106.45	370.03	7.74	-98.71
CCCCCC1=NN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013487547	0	49	-2.0	-107.95	417.08	9.60	-98.35
CCCCCC1=NN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013487548	0	43	-2.0	-106.50	364.24	4.73	-101.77
CCCCCC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013487549	0	46	-2.0	-102.33	398.35	7.70	-94.63
CCCCCC1=NN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013487550	0	49	-2.0	-135.72	403.98	6.68	-129.04
CCCCCC1=NN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013487551	0	39	-2.0	-106.72	352.38	7.10	-99.62
CCCCCC1=NN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)S1	REAL300013487552	0	49	-2.0	-105.71	399.44	6.59	-99.12
CCCCCC1=NN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013487553	0	40	-2.0	-104.10	353.12	5.16	-98.94
CCCCCC1=NN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013487554	0	51	-2.0	-118.87	399.33	7.13	-111.74
CCCCCC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013487555	0	45	-2.0	-103.90	372.56	6.53	-97.37
CCCCCC1=NN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013487556	0	48	-2.0	-97.56	396.74	6.85	-90.71
CCCCCC1=NN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013487557	0	45	-2.0	-99.39	372.33	7.84	-91.55
CCCCCC1=NN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013487558	0	46	-2.0	-100.99	388.93	7.26	-93.73
CCCCCC1=NN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013487559	0	45	-2.0	-100.87	378.30	6.15	-94.72
CCCCCC1=NN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013487560	0	45	-2.0	-100.21	373.34	6.56	-93.65
CCCCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013487561	0	46	-2.0	-112.91	380.25	4.73	-108.18
CCCCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013487562	0	43	-2.0	-108.85	365.06	3.71	-105.14
CCCCCC1=NN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013487563	0	43	-2.0	-103.41	359.12	7.30	-96.11
CCCCCC1=NN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013487564	0	40	-2.0	-104.16	354.83	5.65	-98.51
CCCCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013487565	0	39	-2.0	-110.71	343.55	5.31	-105.40
CCCCCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013487566	0	46	-2.0	-103.39	382.10	7.78	-95.61
CCCCCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013487567	0	42	-2.0	-109.76	374.93	6.84	-102.92
CCCCCC1=NN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013487568	0	43	-2.0	-106.76	362.47	6.41	-100.35
CCCCCC1=NN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013487569	0	46	-2.0	-106.45	387.35	6.15	-100.30
CCCCCC1=NN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013487570	0	46	-2.0	-105.29	405.27	8.60	-96.69
CCCCCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013487571	0	39	-2.0	-104.78	339.82	6.05	-98.73
CCCCCC1=NN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013487572	0	40	-2.0	-102.62	353.80	5.68	-96.94
CCCCCC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013487573	0	48	-2.0	-120.59	382.07	7.55	-113.04
CCCCCC1=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013487574	0	41	-2.0	-101.62	357.67	5.37	-96.25
CC1=NN=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013487575	0	40	-2.0	-106.34	344.14	7.53	-98.81
CC1=NN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013487576	0	33	-2.0	-96.56	307.43	4.82	-91.74
CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013487577	0	34	-2.0	-108.44	293.01	1.27	-107.17
CC1=NN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013487578	0	41	-2.0	-99.62	348.19	4.91	-94.71
CC1=NN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013487579	0	39	-2.0	-107.78	327.35	4.42	-103.36
CC1=NN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013487580	0	36	-2.0	-113.68	315.42	4.85	-108.83
CC1=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013487581	0	38	-2.0	-100.79	323.85	3.89	-96.90
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C)S2)C1	REAL300013487582	0	34	-2.0	-116.26	305.50	2.59	-113.67
CC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)S1	REAL300013487583	0	40	-2.0	-125.37	346.54	5.52	-119.85
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NN=C(C)S1)CC2C(=O)[O-]	REAL300013487584	0	40	-2.0	-107.05	352.02	5.41	-101.64
CC1=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013487585	0	38	-2.0	-97.18	337.93	4.41	-92.77
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C)S2)C1	REAL300013487586	0	37	-2.0	-111.08	315.02	4.61	-106.47
CC1=NN=C([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)S1	REAL300013487587	0	39	-2.0	-112.95	340.71	5.37	-107.58
CC1=NN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013487588	0	34	-2.0	-129.07	301.51	6.69	-122.38
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NN=C(C)S2)CCO1	REAL300013487589	0	41	-2.0	-100.68	356.26	3.70	-96.98
CC1=NN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013487590	0	37	-2.0	-121.73	330.77	6.50	-115.23
CC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013487591	0	34	-2.0	-102.39	312.37	4.62	-97.77
CC1=NN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013487592	0	37	-2.0	-135.40	318.00	3.60	-131.80
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C)S2)CC1	REAL300013487593	0	37	-2.0	-105.48	312.24	4.25	-101.23
CC1=NN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013487594	0	39	-2.0	-117.22	313.19	4.08	-113.14
CC1=NN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013487595	0	34	-2.0	-100.88	302.96	4.18	-96.70
CC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013487596	0	34	-2.0	-112.45	294.27	1.65	-110.80
CC1=NN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013487597	0	42	-2.0	-95.09	364.32	5.78	-89.31
CC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013487598	0	30	-2.0	-102.84	288.27	3.75	-99.09
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C)S2)C1	REAL300013487599	0	34	-2.0	-106.23	301.38	3.07	-103.16
CC1=NN=C([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)S1	REAL300013487600	0	39	-2.0	-98.78	347.27	2.66	-96.12
CC1=NN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013487601	0	34	-2.0	-108.81	319.29	5.51	-103.30
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013491356	0	39	-2.0	-96.28	328.44	6.19	-90.09
CC(C)(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013491357	0	39	-2.0	-92.81	345.11	6.03	-86.78
CC(C)(C)C1=NSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013491358	0	39	-2.0	-91.68	348.77	5.43	-86.25
CC(C)(C)C1=NSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013491359	0	41	-2.0	-91.16	337.55	4.25	-86.91
CC(C)(C)C1=NSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013491360	0	37	-2.0	-98.24	320.06	4.55	-93.69
CC(C)(C)C1=NSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013491361	0	42	-2.0	-95.03	351.41	5.10	-89.93
CC(C)(C)C1=NSC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013491362	0	38	-2.0	-93.74	332.51	4.09	-89.65
CC(C)(C)C1=NSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013491363	0	39	-2.0	-98.64	348.78	5.41	-93.23
CC(C)(C)C1=NSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013491364	0	41	-2.0	-91.68	354.01	4.87	-86.81
CC(C)(C)C1=NSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013491365	0	36	-2.0	-94.56	317.61	0.81	-93.75
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013491366	0	49	-2.0	-99.69	403.22	9.57	-90.12
CC(C)(C)C1=NSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013491367	0	38	-2.0	-97.76	324.95	3.97	-93.79
CC(C)(C)C1=NSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013491368	0	42	-2.0	-90.24	366.51	6.84	-83.40
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013491369	0	39	-2.0	-95.01	332.42	5.59	-89.42
CC(CN(C)C(=O)[N-]C1=NC(C(C)(C)C)=NS1)C(=O)[O-]	REAL300013491370	0	38	-2.0	-102.50	324.39	5.76	-96.74
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C(C)(C)C)=NS2)C1	REAL300013491371	0	42	-2.0	-100.83	348.72	6.69	-94.14
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013491372	0	42	-2.0	-96.52	340.35	6.36	-90.16
CC1CCN(C(=O)[N-]C2=NC(C(C)(C)C)=NS2)CC1C(=O)[O-]	REAL300013491373	0	42	-2.0	-100.94	339.12	6.37	-94.57
CC(C)(C)C1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013491374	0	43	-2.0	-100.95	352.08	3.29	-97.66
CC(C)(C)C1=NSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013491375	0	41	-2.0	-92.42	344.29	4.19	-88.23
CCC(CC)(CNC(=O)[N-]C1=NC(C(C)(C)C)=NS1)C(=O)[O-]	REAL300013491376	0	44	-2.0	-104.96	356.60	4.99	-99.97
CC(C)(C)C1=NSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013491377	0	39	-2.0	-108.29	330.96	4.75	-103.54
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013491378	0	50	-2.0	-101.88	406.01	6.91	-94.97
CC(C)C(CNC(=O)[N-]C1=NC(C(C)(C)C)=NS1)C(=O)[O-]	REAL300013491379	0	41	-2.0	-104.10	346.80	4.46	-99.64
CC(NC(=O)[N-]C1=NC(C(C)(C)C)=NS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013491380	0	48	-2.0	-100.83	386.41	6.44	-94.39
CC(C)(C)C1=NSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013491381	0	45	-2.0	-107.24	379.88	6.63	-100.61
CC(C)(C)C1=NSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013491382	0	39	-2.0	-92.07	332.43	4.60	-87.47
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013491383	0	45	-2.0	-93.94	367.75	7.57	-86.37
CC(C)(C)C1=NSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013491384	0	41	-2.0	-94.54	344.33	4.20	-90.34
CC(C)(C)C1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013491385	0	42	-2.0	-105.22	349.47	5.36	-99.86
CC1CN(C(=O)[N-]C2=NC(C(C)(C)C)=NS2)CCC1C(=O)[O-]	REAL300013491386	0	42	-2.0	-94.09	340.33	6.84	-87.25
CC(C)(C)C1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013491387	0	39	-2.0	-103.38	332.39	4.52	-98.86
CC(C)(C)C1=NSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013491388	0	42	-2.0	-103.45	356.51	5.30	-98.15
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013491389	0	42	-2.0	-96.52	340.35	6.36	-90.16
CC(C)C[C@H](CNC(=O)[N-]C1=NC(C(C)(C)C)=NS1)CC(=O)[O-]	REAL300013491390	0	47	-2.0	-94.43	382.91	5.91	-88.52
CC(C)(C)C1=NSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013491391	0	39	-2.0	-115.01	342.38	5.53	-109.48
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C(C)(C)C)=NS2)C1	REAL300013491392	0	43	-2.0	-104.26	363.01	4.62	-99.64
CC(C)(C)C1=NSC([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)=N1	REAL300013491393	0	44	-2.0	-90.73	364.51	2.95	-87.78
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NC(C(C)(C)C)=NS3)C2)C=N1	REAL300013491394	0	49	-2.0	-119.67	405.62	7.56	-112.11
CC(C)(C)C1=NSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013491395	0	39	-2.0	-99.67	327.93	6.12	-93.55
CC(C)(C)C1=NSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013491396	0	39	-2.0	-99.90	328.38	6.14	-93.76
CC(C)(C)C1=NSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013491397	0	39	-2.0	-98.64	348.78	5.41	-93.23
CCC(CNC(=O)[N-]C1=NC(C(C)(C)C)=NS1)C(=O)[O-]	REAL300013491398	0	38	-2.0	-102.91	330.01	3.98	-98.93
CC(C)(C)C1=NSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013491399	0	45	-2.0	-114.17	361.10	7.48	-106.69
CC(C)(C)C1=NSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013491400	0	47	-2.0	-91.03	397.00	6.43	-84.60
CC(C)(C)C1=NSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013491401	0	44	-2.0	-92.38	375.50	5.65	-86.73
CC(C)(C)C1=NSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013491402	0	42	-2.0	-99.36	342.69	6.84	-92.52
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C(C)(C)C)=NS2)C1	REAL300013491403	0	46	-2.0	-103.72	375.02	6.02	-97.70
CC(C)(C)C1=NSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013491404	0	45	-2.0	-98.54	368.07	7.55	-90.99
CC(C)(C)C1=NSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013491405	0	43	-2.0	-119.31	360.59	8.69	-110.62
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC(C(C)(C)C)=NS2)CCO1	REAL300013491406	0	50	-2.0	-93.36	415.30	5.72	-87.64
CC(C)(C)C1=NSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013491407	0	40	-2.0	-87.95	339.84	4.79	-83.16
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(C(C)(C)C)=NS1	REAL300013491408	0	42	-2.0	-101.76	344.34	6.74	-95.02
CC(C)(C)C1=NSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013491409	0	46	-2.0	-101.17	390.18	8.54	-92.63
CC(C)(C)C1=NSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013491410	0	40	-2.0	-97.97	337.34	3.67	-94.30
CC(C)(C)C1=NSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013491411	0	43	-2.0	-94.34	366.96	6.41	-87.93
CC(C)(C)C1=NSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013491412	0	46	-2.0	-126.65	377.08	5.63	-121.02
CC(C)(C)C1=NSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013491413	0	36	-2.0	-98.39	325.47	6.03	-92.36
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C(C)(C)C)=NS2)CC1	REAL300013491414	0	46	-2.0	-99.06	371.32	6.28	-92.78
CC(C)(C)C1=NSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013491415	0	37	-2.0	-96.01	326.22	4.10	-91.91
CC(C)(C)C1=NSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013491416	0	48	-2.0	-108.26	372.26	6.10	-102.16
CC(C)(C)C1=NSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013491417	0	42	-2.0	-98.75	346.97	5.53	-93.22
CC(C)(C)C1=NSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013491418	0	45	-2.0	-92.30	371.16	5.82	-86.48
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013491419	0	42	-2.0	-93.64	345.44	6.79	-86.85
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013491420	0	43	-2.0	-94.98	362.04	6.22	-88.76
CC(C)(C)C1=NSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013491421	0	42	-2.0	-94.02	351.40	5.10	-88.92
CC(C)(C)C1=NSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013491422	0	42	-2.0	-93.77	350.88	5.08	-88.69
CC(C)(C)C1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013491423	0	43	-2.0	-104.56	353.35	3.67	-100.89
CC(C)(C)C1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013491424	0	40	-2.0	-99.62	337.44	2.79	-96.83
CC(C)(C)C1=NSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013491425	0	40	-2.0	-120.82	336.10	6.34	-114.48
CC(C)(C)C1=NSC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013491426	0	51	-2.0	-89.46	423.99	7.80	-81.66
CC(C)(C)C1=NSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013491427	0	37	-2.0	-97.31	327.88	4.59	-92.72
CC(C)(C)C1=NSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013491428	0	43	-2.0	-97.04	355.25	6.71	-90.33
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013491429	0	39	-2.0	-100.95	348.03	5.78	-95.17
CC(C)(C)C1=NSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013491430	0	40	-2.0	-97.99	335.54	5.34	-92.65
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C(C)(C)C)=NS2)C1	REAL300013491431	0	43	-2.0	-97.45	360.45	5.10	-92.35
CC(C)(C)C1=NSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013491432	0	43	-2.0	-97.73	378.36	7.53	-90.20
CC(C)(C)C1=NSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013491433	0	37	-2.0	-95.20	326.90	4.62	-90.58
CC(C)(C)C1=NSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013491434	0	45	-2.0	-112.59	355.17	6.50	-106.09
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(C(C)(C)C)=NS1	REAL300013491435	0	38	-2.0	-95.03	330.76	4.32	-90.71
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013491970	0	37	-2.0	-93.78	332.18	7.70	-86.08
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)=C1	REAL300013491971	0	37	-2.0	-90.25	348.85	7.55	-82.70
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C=C1	REAL300013491972	0	37	-2.0	-89.37	352.51	6.94	-82.43
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300013491973	0	39	-2.0	-88.65	341.29	5.76	-82.89
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CCO1	REAL300013491974	0	35	-2.0	-95.55	323.66	6.04	-89.51
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013491975	0	40	-2.0	-92.45	355.14	6.61	-85.84
O=C([O-])CCCCNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300013491976	0	36	-2.0	-91.14	336.25	5.60	-85.54
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)=CC=C1	REAL300013491977	0	37	-2.0	-96.12	352.52	6.93	-89.19
O=C([O-])CCNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300013491978	0	30	-2.0	-93.84	293.25	4.03	-89.81
O=C([O-])CCCCCNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300013491979	0	39	-2.0	-89.17	357.75	6.38	-82.79
CC(O)(CNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C(=O)[O-]	REAL300013491980	0	34	-2.0	-91.91	321.35	2.32	-89.59
CC(C)(CNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C(=O)[O-]	REAL300013491981	0	36	-2.0	-94.82	328.11	5.49	-89.33
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)=C1	REAL300013491982	0	40	-2.0	-87.73	370.25	8.35	-79.38
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013491983	0	37	-2.0	-92.40	336.16	7.11	-85.29
CC(CN(C)C(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C(=O)[O-]	REAL300013491984	0	36	-2.0	-94.26	327.08	7.00	-87.26
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013491985	0	40	-2.0	-98.25	352.47	8.20	-90.05
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013491986	0	40	-2.0	-94.03	344.10	7.87	-86.16
O=C([O-])CCCNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300013491987	0	33	-2.0	-89.78	314.75	4.82	-84.96
CC1CCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1C(=O)[O-]	REAL300013491988	0	40	-2.0	-98.13	342.86	7.89	-90.24
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CCOCC1	REAL300013491989	0	41	-2.0	-100.14	354.84	4.99	-95.15
CC(C)(CCNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C(=O)[O-]	REAL300013491990	0	39	-2.0	-89.93	347.45	5.69	-84.24
CCC(CC)(CNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C(=O)[O-]	REAL300013491991	0	42	-2.0	-100.88	355.64	6.67	-94.21
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CCC1	REAL300013491992	0	37	-2.0	-105.28	334.70	6.26	-99.02
CC(CNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C(=O)[O-]	REAL300013491993	0	33	-2.0	-94.31	312.61	4.81	-89.50
CC(C)C(CNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C(=O)[O-]	REAL300013491994	0	39	-2.0	-99.77	345.28	6.08	-93.69
CC(NC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013491995	0	46	-2.0	-98.36	389.69	7.98	-90.38
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013491996	0	37	-2.0	-89.60	336.16	6.11	-83.49
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013491997	0	43	-2.0	-91.45	371.48	9.08	-82.37
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC(C3=CC=C(F)C=C3)=NS1)C2	REAL300013491998	0	39	-2.0	-104.42	348.57	5.61	-98.81
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CCCC1	REAL300013491999	0	40	-2.0	-102.56	353.21	6.87	-95.69
CC1CN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CCC1C(=O)[O-]	REAL300013492000	0	40	-2.0	-91.70	344.07	8.35	-83.35
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CCC1	REAL300013492001	0	37	-2.0	-101.06	335.23	6.17	-94.89
O=C([O-])CC(CNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C1CC1	REAL300013492002	0	40	-2.0	-100.59	360.26	6.81	-93.78
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013492003	0	40	-2.0	-94.03	344.10	7.87	-86.16
CC(C)C[C@H](CNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)CC(=O)[O-]	REAL300013492004	0	45	-2.0	-91.98	386.66	7.43	-84.55
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013492005	0	34	-2.0	-100.65	320.39	5.76	-94.89
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300013492006	0	37	-2.0	-111.79	346.12	7.05	-104.74
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492007	0	41	-2.0	-101.53	366.76	6.14	-95.39
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492008	0	34	-2.0	-91.11	320.19	5.39	-85.72
O=C([O-])CN1CCC(NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013492009	0	42	-2.0	-88.22	368.25	4.46	-83.76
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492010	0	37	-2.0	-96.84	330.98	7.61	-89.23
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492011	0	37	-2.0	-97.15	332.12	7.66	-89.49
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492012	0	34	-2.0	-91.22	320.22	5.39	-85.83
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492013	0	34	-2.0	-90.49	319.74	5.44	-85.05
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)=CC=C1	REAL300013492014	0	37	-2.0	-96.12	352.52	6.93	-89.19
CCC(CNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C(=O)[O-]	REAL300013492015	0	36	-2.0	-100.18	333.75	5.49	-94.69
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300013492016	0	43	-2.0	-110.90	364.84	8.99	-101.91
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300013492017	0	45	-2.0	-88.61	400.75	7.95	-80.66
O=C([O-])CCCCCCNC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300013492018	0	42	-2.0	-89.89	379.25	7.16	-82.73
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492019	0	40	-2.0	-96.59	346.44	8.35	-88.24
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492020	0	44	-2.0	-100.85	378.76	7.53	-93.32
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492021	0	43	-2.0	-95.69	371.78	9.06	-86.63
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC2=CC=CC=C21	REAL300013492022	0	41	-2.0	-115.95	364.34	10.20	-105.75
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013492023	0	38	-2.0	-85.51	343.57	6.30	-79.21
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300013492024	0	40	-2.0	-98.86	346.87	8.19	-90.67
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492025	0	38	-2.0	-95.25	341.08	5.18	-90.07
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C2=CC=CC=C21	REAL300013492026	0	41	-2.0	-93.08	375.19	8.16	-84.92
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)=C1	REAL300013492027	0	34	-2.0	-95.59	329.22	7.55	-88.04
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013492028	0	44	-2.0	-96.67	375.06	7.79	-88.88
O=C([O-])C12CC(NC(=O)[N-]C3=NC(C4=CC=C(F)C=C4)=NS3)(C1)C2	REAL300013492029	0	35	-2.0	-93.36	329.96	5.62	-87.74
O=C([O-])CC1(CNC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CCCCC1	REAL300013492030	0	46	-2.0	-106.51	376.16	7.58	-98.93
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013492031	0	40	-2.0	-96.18	350.71	7.04	-89.14
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013492032	0	43	-2.0	-89.97	374.90	7.33	-82.64
O=C([O-])CC1CCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013492033	0	40	-2.0	-91.23	349.17	8.31	-82.92
O=C([O-])COC1CCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013492034	0	41	-2.0	-92.54	365.77	7.73	-84.81
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492035	0	40	-2.0	-91.50	355.14	6.61	-84.89
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492036	0	40	-2.0	-91.47	350.19	7.02	-84.45
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CCCOC1	REAL300013492037	0	41	-2.0	-101.69	357.09	5.19	-96.50
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CCOC1	REAL300013492038	0	38	-2.0	-98.98	341.89	4.16	-94.82
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300013492039	0	38	-2.0	-117.58	339.84	7.85	-109.73
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC(C3=CC=C(F)C=C3)=NS1)C2	REAL300013492040	0	35	-2.0	-95.03	331.67	6.11	-88.92
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC1	REAL300013492041	0	34	-2.0	-100.65	320.39	5.76	-94.89
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CC12CCC2	REAL300013492042	0	41	-2.0	-94.48	358.99	8.22	-86.26
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CCO1	REAL300013492043	0	38	-2.0	-95.32	339.31	6.86	-88.46
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492044	0	41	-2.0	-94.64	364.19	6.61	-88.03
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)C1	REAL300013492045	0	34	-2.0	-93.42	316.66	6.50	-86.92
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC(C3=CC=C(F)C=C3)=NS1)C2	REAL300013492046	0	35	-2.0	-92.71	330.64	6.14	-86.57
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=NS2)CCCCC1	REAL300013492047	0	43	-2.0	-109.34	358.91	8.01	-101.33
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300013492048	0	36	-2.0	-92.51	334.51	5.83	-86.68
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494255	0	37	-2.0	-103.59	318.73	5.83	-97.76
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)=C1	REAL300013494256	0	37	-2.0	-99.70	335.39	5.44	-94.26
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C=C1	REAL300013494257	0	37	-2.0	-98.33	339.06	4.92	-93.41
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1	REAL300013494258	0	39	-2.0	-98.16	327.84	3.58	-94.58
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CCO1	REAL300013494259	0	35	-2.0	-105.73	310.33	4.19	-101.54
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494260	0	40	-2.0	-102.22	341.70	4.57	-97.65
O=C([O-])CCCCNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1	REAL300013494261	0	36	-2.0	-100.83	322.80	3.58	-97.25
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)=CC=C1	REAL300013494262	0	37	-2.0	-105.65	339.06	4.91	-100.74
O=C([O-])CCCCCNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1	REAL300013494263	0	39	-2.0	-98.52	344.29	4.37	-94.15
CC(O)(CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300013494264	0	34	-2.0	-101.95	307.89	0.30	-101.65
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494265	0	47	-2.0	-105.69	390.09	9.08	-96.61
CC(C)(CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300013494266	0	36	-2.0	-105.10	314.65	3.46	-101.64
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)=C1	REAL300013494267	0	40	-2.0	-96.92	356.79	6.24	-90.68
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494268	0	37	-2.0	-102.17	321.33	5.11	-97.06
CC(CN(C)C(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300013494269	0	36	-2.0	-110.54	314.68	5.38	-105.16
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494270	0	40	-2.0	-108.25	338.36	6.31	-101.94
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494271	0	40	-2.0	-103.88	330.64	6.00	-97.88
CC1CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1C(=O)[O-]	REAL300013494272	0	40	-2.0	-107.83	333.42	6.18	-101.65
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CCOCC1	REAL300013494273	0	41	-2.0	-110.21	339.76	3.00	-107.21
CC(C)(CCNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300013494274	0	39	-2.0	-99.28	334.58	3.69	-95.59
CCC(CC)(CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300013494275	0	42	-2.0	-112.81	346.89	4.49	-108.32
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CCC1	REAL300013494276	0	37	-2.0	-116.84	321.24	4.16	-112.68
O=C([O-])C1CC(=O)N(C2CCN(C(=O)[N-]C3=NC(C4=CC=CC=C4)=NO3)CC2)C1	REAL300013494277	0	48	-2.0	-100.63	397.56	6.58	-94.05
CC(C)C(CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300013494278	0	39	-2.0	-110.55	331.83	4.06	-106.49
CC(NC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013494279	0	46	-2.0	-108.35	373.67	5.36	-102.99
CC(CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)(C(=O)[O-])C1=CC=CC=C1	REAL300013494280	0	43	-2.0	-113.83	364.79	6.36	-107.47
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494281	0	37	-2.0	-98.60	322.71	3.99	-94.61
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494282	0	43	-2.0	-101.07	358.03	7.21	-93.86
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC(C3=CC=CC=C3)=NO1)C2	REAL300013494283	0	39	-2.0	-115.70	335.12	3.67	-112.03
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CCCC1	REAL300013494284	0	40	-2.0	-113.36	339.76	4.85	-108.51
CC1CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CCC1C(=O)[O-]	REAL300013494285	0	40	-2.0	-101.34	330.62	6.48	-94.86
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CCC1	REAL300013494286	0	37	-2.0	-111.72	321.77	4.16	-107.56
O=C([O-])CC(CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)C1CC1	REAL300013494287	0	40	-2.0	-111.42	346.80	4.80	-106.62
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494288	0	40	-2.0	-103.88	330.64	6.00	-97.88
CC(C)C[C@H](CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)CC(=O)[O-]	REAL300013494289	0	45	-2.0	-114.72	367.81	5.18	-109.54
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494290	0	34	-2.0	-111.08	306.93	3.74	-107.34
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1	REAL300013494291	0	37	-2.0	-123.53	332.67	5.03	-118.50
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494292	0	41	-2.0	-112.17	353.30	4.20	-107.97
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494293	0	34	-2.0	-100.73	306.38	3.35	-97.38
O=C([O-])CN1CCC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494294	0	42	-2.0	-97.62	354.79	2.42	-95.20
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NC(C4=CC=CC=C4)=NO3)C2)C=N1	REAL300013494295	0	47	-2.0	-128.90	395.84	7.20	-121.70
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494296	0	37	-2.0	-107.50	317.52	5.74	-101.76
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494297	0	37	-2.0	-107.70	318.01	5.75	-101.95
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494298	0	34	-2.0	-100.74	306.38	3.35	-97.39
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494299	0	34	-2.0	-100.17	306.31	3.40	-96.77
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)=CC=C1	REAL300013494300	0	37	-2.0	-105.65	339.06	4.91	-100.74
CCC(CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300013494301	0	36	-2.0	-109.92	315.38	3.69	-106.23
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1	REAL300013494302	0	43	-2.0	-123.25	351.72	6.99	-116.26
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1	REAL300013494303	0	45	-2.0	-97.79	387.29	5.93	-91.86
O=C([O-])CCCCCCNC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1	REAL300013494304	0	42	-2.0	-99.33	365.79	5.15	-94.18
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494305	0	40	-2.0	-107.16	332.99	6.48	-100.68
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494306	0	44	-2.0	-110.30	364.38	6.29	-104.01
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494307	0	43	-2.0	-106.11	358.36	7.19	-98.92
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC2=CC=CC=C21	REAL300013494308	0	41	-2.0	-129.05	350.89	8.03	-121.02
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494309	0	38	-2.0	-94.81	330.13	4.43	-90.38
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1	REAL300013494310	0	40	-2.0	-109.05	333.42	6.32	-102.73
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C[C@H]1C1=CC=CC=C1	REAL300013494311	0	44	-2.0	-117.30	378.59	8.02	-109.28
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494312	0	38	-2.0	-105.72	327.64	3.31	-102.41
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C2=CC=CC=C21	REAL300013494313	0	41	-2.0	-102.83	361.74	6.12	-96.71
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1=O	REAL300013494314	0	44	-2.0	-135.99	367.35	5.11	-130.88
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)=C1	REAL300013494315	0	34	-2.0	-105.76	315.76	5.41	-100.35
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494316	0	44	-2.0	-106.41	361.61	5.92	-100.49
O=C([O-])C12CC(NC(=O)[N-]C3=NC(C4=CC=CC=C4)=NO3)(C1)C2	REAL300013494317	0	35	-2.0	-103.41	316.51	3.59	-99.82
O=C([O-])CC1(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CCCCC1	REAL300013494318	0	46	-2.0	-101.09	362.41	5.59	-95.50
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494319	0	40	-2.0	-105.63	335.93	4.96	-100.67
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494320	0	43	-2.0	-98.60	360.12	5.29	-93.31
O=C([O-])CC1CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494321	0	40	-2.0	-100.86	335.72	6.43	-94.43
O=C([O-])COC1CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494322	0	41	-2.0	-102.00	352.32	5.86	-96.14
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494323	0	40	-2.0	-101.19	341.69	4.57	-96.62
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494324	0	40	-2.0	-100.74	341.16	4.56	-96.18
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CCCOC1	REAL300013494325	0	41	-2.0	-112.64	343.63	3.16	-109.48
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CCOC1	REAL300013494326	0	38	-2.0	-109.29	328.44	2.14	-107.15
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1	REAL300013494327	0	38	-2.0	-130.04	326.82	5.90	-124.14
CC(C)(CC1=CC=C(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C=C1)C(=O)[O-]	REAL300013494328	0	49	-2.0	-96.13	414.27	7.30	-88.83
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC(C3=CC=CC=C3)=NO1)C2	REAL300013494329	0	35	-2.0	-104.58	318.24	4.07	-100.51
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300013494330	0	34	-2.0	-111.08	306.93	3.74	-107.34
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CC12CCC2	REAL300013494331	0	41	-2.0	-104.36	345.53	6.29	-98.07
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494332	0	37	-2.0	-103.18	337.08	5.35	-97.83
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CCO1	REAL300013494333	0	38	-2.0	-105.52	325.86	4.99	-100.53
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494334	0	41	-2.0	-105.00	350.74	4.74	-100.26
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NC(C4=CC=CC=C4)=NO3)=CC=C21	REAL300013494335	0	41	-2.0	-104.82	368.65	6.93	-97.89
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300013494336	0	34	-2.0	-103.63	303.18	4.58	-99.05
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC(C3=CC=CC=C3)=NO1)C2	REAL300013494337	0	35	-2.0	-102.42	317.18	4.10	-98.32
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3=CC=CC=C3)=NO2)CCCCC1	REAL300013494338	0	43	-2.0	-121.62	345.45	5.83	-115.79
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1	REAL300013494339	0	36	-2.0	-102.32	321.05	3.79	-98.53
CC1=NSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=C1Cl	REAL300013494951	1	31	-2.0	-91.77	287.45	4.93	-86.84
CC1=NSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1Cl	REAL300013494952	0	31	-2.0	-88.72	303.85	4.83	-83.89
CC1=NSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1Cl	REAL300013494953	1	31	-2.0	-87.21	307.78	4.18	-83.03
CC1=NSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=C1Cl	REAL300013494954	1	33	-2.0	-86.73	296.56	3.00	-83.73
CC1=NSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=C1Cl	REAL300013494955	1	29	-2.0	-94.35	279.07	3.31	-91.04
CC1=NSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=C1Cl	REAL300013494956	1	34	-2.0	-90.54	310.41	3.84	-86.70
CC1=NSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1Cl	REAL300013494957	1	31	-2.0	-94.21	307.78	4.17	-90.04
CC1=NSC([N-]C(=O)NCCCCCC(=O)[O-])=C1Cl	REAL300013494958	1	33	-2.0	-87.33	313.01	3.63	-83.70
CC1=NSC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1Cl	REAL300013494959	1	41	-2.0	-94.38	358.81	8.19	-86.19
CC1=NSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=C1Cl	REAL300013494960	0	34	-2.0	-85.98	325.25	5.63	-80.35
CC1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=C1Cl	REAL300013494961	1	31	-2.0	-90.71	290.06	4.27	-86.44
CC1=NSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=C1Cl	REAL300013494962	1	34	-2.0	-95.89	302.86	5.69	-90.20
CC1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=C1Cl	REAL300013494963	1	34	-2.0	-92.03	299.36	5.11	-86.92
CC1=NSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=C1Cl	REAL300013494964	1	34	-2.0	-95.77	302.15	5.28	-90.49
CC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=C1Cl	REAL300013494965	1	35	-2.0	-98.08	308.48	2.26	-95.82
CC1=NSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=C1Cl	REAL300013494966	1	33	-2.0	-88.16	303.30	2.95	-85.21
CCC(CC)(CNC(=O)[N-]C1=C(Cl)C(C)=NS1)C(=O)[O-]	REAL300013494967	1	36	-2.0	-100.77	315.61	3.75	-97.02
CC1=NSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=C1Cl	REAL300013494968	1	31	-2.0	-103.17	289.96	3.50	-99.67
CC1=NSC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1Cl	REAL300013494969	1	42	-2.0	-88.59	366.30	5.69	-82.90
CC1=NSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=C1Cl	REAL300013494970	1	33	-2.0	-98.37	300.55	3.32	-95.05
CC1=NSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1Cl	REAL300013494971	1	40	-2.0	-96.04	342.41	4.62	-91.42
CC1=NSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1Cl	REAL300013494972	1	37	-2.0	-103.06	338.89	5.39	-97.67
CC1=NSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300013494973	1	31	-2.0	-87.49	291.41	3.26	-84.23
CC1=NSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=C1Cl	REAL300013494974	1	37	-2.0	-89.21	326.75	6.32	-82.89
CC1=NSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300013494975	1	33	-2.0	-102.80	303.90	2.85	-99.95
CC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=C1Cl	REAL300013494976	1	34	-2.0	-100.55	305.47	4.32	-96.23
CC1=NSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=C1Cl	REAL300013494977	1	34	-2.0	-89.56	299.35	5.59	-83.97
CC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=C1Cl	REAL300013494978	1	31	-2.0	-99.17	291.40	3.27	-95.90
CC1=NSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=C1Cl	REAL300013494979	1	34	-2.0	-99.33	315.52	4.06	-95.27
CC1=NSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=C1Cl	REAL300013494980	1	34	-2.0	-92.03	299.36	5.11	-86.92
CC1=NSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1Cl	REAL300013494981	1	39	-2.0	-90.17	341.93	4.66	-85.51
CC1=NSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300013494982	1	31	-2.0	-110.30	301.41	4.26	-106.04
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=C(Cl)C(C)=NS2)C1	REAL300013494983	1	35	-2.0	-100.35	322.03	3.37	-96.98
CC1=NSC([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C1Cl	REAL300013494985	1	41	-2.0	-99.66	369.36	6.14	-93.52
CC1=NSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300013494986	1	31	-2.0	-95.53	286.24	4.84	-90.69
CC1=NSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=C1Cl	REAL300013494987	1	31	-2.0	-95.74	286.71	4.86	-90.88
CC1=NSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1Cl	REAL300013494988	1	31	-2.0	-94.21	307.78	4.17	-90.04
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=C(Cl)C(C)=NS1)CC2C(=O)[O-]	REAL300013494989	1	41	-2.0	-92.88	365.28	6.04	-86.84
CC1=NSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=C1Cl	REAL300013494990	1	37	-2.0	-108.44	320.11	6.25	-102.19
CC1=NSC([N-]C(=O)NCCCCCCCC(=O)[O-])=C1Cl	REAL300013494991	1	39	-2.0	-86.58	356.01	5.19	-81.39
CC1=NSC([N-]C(=O)NCCCCCCC(=O)[O-])=C1Cl	REAL300013494992	1	36	-2.0	-88.00	334.51	4.41	-83.59
CC1=NSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=C1Cl	REAL300013494993	1	34	-2.0	-95.20	301.72	5.59	-89.61
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=C(Cl)C(C)=NS2)C1	REAL300013494994	1	38	-2.0	-99.44	334.04	4.76	-94.68
COCCN(CCC(=O)[O-])C(=O)[N-]C1=C(Cl)C(C)=NS1	REAL300013494995	1	34	-2.0	-98.62	321.45	4.10	-94.52
CC1=NSC([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300013494996	1	40	-2.0	-98.13	359.56	6.30	-91.83
CC1=NSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=C1Cl	REAL300013494997	1	37	-2.0	-93.83	327.09	6.30	-87.53
CC1=NSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1Cl	REAL300013494998	1	35	-2.0	-113.87	319.63	7.42	-106.45
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=C(Cl)C(C)=NS2)CCO1	REAL300013494999	1	42	-2.0	-89.03	375.10	4.53	-84.50
CC1=NSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=C1Cl	REAL300013495000	1	32	-2.0	-83.70	298.85	3.55	-80.15
CC1=NSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=C1Cl	REAL300013495001	1	34	-2.0	-95.37	301.98	5.46	-89.91
CC1=NSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1Cl	REAL300013495002	1	38	-2.0	-97.27	348.93	7.21	-90.06
CC1=NSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=C1Cl	REAL300013495003	1	32	-2.0	-93.78	296.37	2.42	-91.36
CC1=NSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1Cl	REAL300013495004	1	35	-2.0	-91.47	330.46	5.40	-86.07
CC1=NSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=C1Cl	REAL300013495005	1	38	-2.0	-120.77	336.09	4.37	-116.40
CC1=NSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=C1Cl	REAL300013495006	0	28	-2.0	-94.28	284.48	4.79	-89.49
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=C(Cl)C(C)=NS2)CC1	REAL300013495007	1	38	-2.0	-94.63	330.34	5.05	-89.58
CC1=NSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=C1Cl	REAL300013495008	1	29	-2.0	-91.73	285.24	2.85	-88.88
CC1=NSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=C1Cl	REAL300013495009	1	40	-2.0	-105.11	331.43	4.82	-100.29
CC1=NSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1Cl	REAL300013495010	1	34	-2.0	-93.99	305.97	4.28	-89.71
CC1=NSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1Cl	REAL300013495011	1	37	-2.0	-87.32	328.85	4.55	-82.77
CC1=NSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=C1Cl	REAL300013495012	1	34	-2.0	-89.06	304.44	5.54	-83.52
CC1=NSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=C1Cl	REAL300013495013	1	35	-2.0	-90.30	321.04	4.96	-85.34
CC1=NSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300013495014	1	34	-2.0	-89.78	310.42	3.84	-85.94
CC1=NSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=C1Cl	REAL300013495015	1	34	-2.0	-89.52	305.45	4.26	-85.26
CC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=C1Cl	REAL300013495016	1	35	-2.0	-100.32	312.35	2.43	-97.89
CC1=NSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=C1Cl	REAL300013495017	1	32	-2.0	-97.32	297.16	1.40	-95.92
CC1=NSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=C1Cl	REAL300013495018	1	32	-2.0	-115.54	295.54	5.10	-110.44
CC1=NSC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1Cl	REAL300013495019	1	43	-2.0	-85.10	382.99	6.56	-78.54
CC1=NSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300013495020	1	29	-2.0	-93.30	286.96	3.36	-89.94
CC1=NSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1Cl	REAL300013495021	1	35	-2.0	-92.83	314.26	5.46	-87.37
CC1=NSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1Cl	REAL300013495022	1	31	-2.0	-91.53	305.81	4.52	-87.01
CC1=NSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1Cl	REAL300013495023	1	32	-2.0	-94.01	294.59	4.11	-89.90
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=C(Cl)C(C)=NS2)C1	REAL300013495024	1	35	-2.0	-93.56	319.46	3.84	-89.72
CC1=NSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=C1Cl	REAL300013495025	0	35	-2.0	-93.25	337.38	6.29	-86.96
CC1=NSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300013495026	1	29	-2.0	-91.05	285.90	3.37	-87.68
CC1=NSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=C1Cl	REAL300013495027	1	37	-2.0	-106.90	314.18	5.25	-101.65
O=C([O-])C1CCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497125	1	44	-2.0	-98.00	360.39	3.21	-94.79
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)=C1	REAL300013497126	0	44	-2.0	-94.60	377.05	3.05	-91.55
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C=C1	REAL300013497127	1	44	-2.0	-92.89	380.72	2.45	-90.44
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497128	1	46	-2.0	-92.57	369.50	1.27	-91.30
O=C([O-])C1CN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CCO1	REAL300013497129	1	42	-2.0	-99.54	352.03	1.57	-97.97
CN(CCC(=O)[O-])C(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497130	1	40	-2.0	-100.75	341.20	2.21	-98.54
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497131	1	47	-2.0	-95.59	383.36	2.11	-93.48
O=C([O-])CCCCNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497132	1	43	-2.0	-94.62	364.46	1.12	-93.50
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)=CC=C1	REAL300013497133	1	44	-2.0	-100.35	380.73	2.44	-97.91
O=C([O-])CCNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497134	1	37	-2.0	-98.13	321.46	-0.46	-98.59
O=C([O-])CCCCCNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497135	1	46	-2.0	-92.68	385.96	1.90	-90.78
CC(O)(CNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1)C(=O)[O-]	REAL300013497136	1	41	-2.0	-96.12	349.97	-2.11	-98.23
CC(C)(CNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1)C(=O)[O-]	REAL300013497137	1	43	-2.0	-99.22	356.90	1.00	-98.22
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)=C1	REAL300013497138	0	47	-2.0	-91.47	398.45	3.86	-87.61
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497139	1	44	-2.0	-96.56	362.94	2.56	-94.00
CC(CN(C)C(=O)[N-]C1=NC(CN2CCOCC2)=CS1)C(=O)[O-]	REAL300013497140	1	43	-2.0	-97.66	354.41	2.48	-95.18
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497141	1	47	-2.0	-103.86	375.36	3.96	-99.90
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497142	1	47	-2.0	-97.83	372.31	3.39	-94.44
O=C([O-])CCCNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497143	1	40	-2.0	-93.90	342.96	0.34	-93.56
CC1CCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1C(=O)[O-]	REAL300013497144	1	47	-2.0	-102.40	378.67	3.68	-98.72
O=C([O-])C1(CNC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CCOCC1	REAL300013497145	1	48	-2.0	-104.23	384.04	0.32	-103.91
CC(C)(CCNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1)C(=O)[O-]	REAL300013497146	1	46	-2.0	-94.06	376.25	1.22	-92.84
CCC(CC)(CNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1)C(=O)[O-]	REAL300013497147	1	49	-2.0	-108.26	388.55	2.02	-106.24
O=C([O-])CC1(NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CCC1	REAL300013497148	1	44	-2.0	-110.71	362.91	1.77	-108.94
CC(CNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1)C(=O)[O-]	REAL300013497149	1	40	-2.0	-98.23	339.13	0.29	-97.94
CC(C)C(CNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1)C(=O)[O-]	REAL300013497150	1	46	-2.0	-106.91	378.75	1.49	-105.42
CC(NC(=O)[N-]C1=NC(CN2CCOCC2)=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013497151	1	53	-2.0	-101.14	417.31	3.27	-97.87
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497152	1	44	-2.0	-93.76	364.38	1.62	-92.14
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497153	1	50	-2.0	-95.11	399.69	4.60	-90.51
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC(CN3CCOCC3)=CS1)C2	REAL300013497154	1	46	-2.0	-108.78	376.78	1.11	-107.67
O=C([O-])C1(CNC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CCCC1	REAL300013497155	1	47	-2.0	-107.69	379.65	2.11	-105.58
CC1CN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CCC1C(=O)[O-]	REAL300013497156	1	47	-2.0	-98.70	378.71	3.71	-94.99
O=C([O-])C1(CNC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CCC1	REAL300013497157	1	44	-2.0	-107.00	363.44	1.69	-105.31
O=C([O-])CC(CNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1)C1CC1	REAL300013497158	1	47	-2.0	-104.95	387.40	2.43	-102.52
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497159	1	47	-2.0	-97.83	372.31	3.39	-94.44
CC(C)C[C@H](CNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1)CC(=O)[O-]	REAL300013497160	1	52	-2.0	-105.44	409.13	2.73	-102.71
O=C([O-])C1(CNC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497161	1	41	-2.0	-106.89	347.54	1.38	-105.51
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497162	1	44	-2.0	-117.70	374.36	2.53	-115.17
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497163	1	48	-2.0	-109.80	396.52	1.63	-108.17
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497164	1	41	-2.0	-95.43	348.03	0.90	-94.53
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497166	1	44	-2.0	-100.78	359.87	3.15	-97.63
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497167	1	44	-2.0	-101.05	360.33	3.18	-97.87
O=C([O-])C1CC(NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497168	1	41	-2.0	-94.58	347.91	0.95	-93.63
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497169	1	41	-2.0	-94.47	347.16	1.05	-93.42
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)=CC=C1	REAL300013497170	1	44	-2.0	-100.35	380.73	2.44	-97.91
CCC(CNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1)C(=O)[O-]	REAL300013497171	1	43	-2.0	-105.65	361.96	1.00	-104.65
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497172	1	50	-2.0	-113.19	393.62	4.53	-108.66
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497173	1	52	-2.0	-91.93	428.95	3.46	-88.47
O=C([O-])CCCCCCNC(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497174	1	49	-2.0	-93.10	407.46	2.68	-90.42
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497175	1	43	-2.0	-102.46	362.70	3.01	-99.45
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497176	1	47	-2.0	-100.35	374.96	3.87	-96.48
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497177	1	51	-2.0	-103.34	405.75	3.66	-99.68
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497178	1	47	-2.0	-107.29	394.39	2.37	-104.92
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497179	1	50	-2.0	-98.80	399.98	4.57	-94.23
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497180	1	45	-2.0	-89.57	371.78	1.81	-87.76
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497181	1	47	-2.0	-104.65	376.29	3.76	-100.89
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497182	1	45	-2.0	-99.16	369.27	0.71	-98.45
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)=C1	REAL300013497183	0	41	-2.0	-99.57	357.43	3.06	-96.51
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497184	1	51	-2.0	-100.96	403.27	3.30	-97.66
O=C([O-])C12CC(NC(=O)[N-]C3=NC(CN4CCOCC4)=CS3)(C1)C2	REAL300013497185	1	42	-2.0	-96.68	358.17	1.13	-95.55
O=C([O-])CC1(CNC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CCCCC1	REAL300013497186	1	53	-2.0	-109.38	404.36	3.11	-106.27
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497187	1	47	-2.0	-100.46	377.61	2.49	-97.97
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497188	1	50	-2.0	-92.93	401.79	2.81	-90.12
O=C([O-])CC1CCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497189	1	47	-2.0	-95.70	377.38	3.82	-91.88
O=C([O-])COC1CCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497190	1	48	-2.0	-96.09	393.99	3.25	-92.84
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497191	1	47	-2.0	-95.73	383.33	2.12	-93.61
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497192	1	47	-2.0	-96.18	378.92	2.54	-93.64
O=C([O-])C1(CNC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CCCOC1	REAL300013497193	1	48	-2.0	-107.81	385.30	0.71	-107.10
O=C([O-])C1(CNC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CCOC1	REAL300013497194	1	45	-2.0	-104.67	369.04	-0.23	-104.90
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497195	1	45	-2.0	-122.27	368.11	3.34	-118.93
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC(CN3CCOCC3)=CS1)C2	REAL300013497196	1	42	-2.0	-99.69	359.83	1.61	-98.08
O=C([O-])C1(CNC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497197	1	41	-2.0	-106.89	347.54	1.38	-105.51
O=C([O-])C1CN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CC12CCC2	REAL300013497198	1	48	-2.0	-100.70	388.32	3.78	-96.92
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CCO1	REAL300013497199	1	45	-2.0	-99.18	367.52	2.38	-96.80
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497200	1	48	-2.0	-98.76	392.40	2.13	-96.63
O=C([O-])C1CCN(C(=O)[N-]C2=NC(CN3CCOCC3)=CS2)C1	REAL300013497201	1	41	-2.0	-97.34	345.23	2.02	-95.32
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC(CN3CCOCC3)=CS1)C2	REAL300013497202	1	42	-2.0	-96.28	358.85	1.64	-94.64
O=C([O-])CC1(NC(=O)[N-]C2=NC(CN3CCOCC3)=CS2)CCCCC1	REAL300013497203	1	50	-2.0	-114.71	387.12	3.52	-111.19
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300013497204	1	43	-2.0	-96.56	362.72	1.34	-95.22
CC1CCCN(CC2=CSC([N-]C(=O)N3CCC(C(=O)[O-])CC3)=N2)C1	REAL300013497546	1	49	-2.0	-98.52	390.05	6.55	-91.97
CC1CCCN(CC2=CSC([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)=N2)C1	REAL300013497547	0	49	-2.0	-95.04	406.70	6.42	-88.62
CC1CCCN(CC2=CSC([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=N2)C1	REAL300013497548	1	49	-2.0	-93.27	407.43	5.40	-87.87
CC1CCCN(CC2=CSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2)C1	REAL300013497549	1	51	-2.0	-93.24	396.21	4.21	-89.03
CC1CCCN(CC2=CSC([N-]C(=O)N3CCOC(C(=O)[O-])C3)=N2)C1	REAL300013497550	1	47	-2.0	-100.12	381.71	4.93	-95.19
CC1CCCN(CC2=CSC([N-]C(=O)NC3CCC(C(=O)[O-])CC3)=N2)C1	REAL300013497551	1	52	-2.0	-96.13	413.01	5.48	-90.65
CC1CCCN(CC2=CSC([N-]C(=O)NCCCCC(=O)[O-])=N2)C1	REAL300013497552	1	48	-2.0	-95.25	391.17	4.06	-91.19
CC1CCCN(CC2=CSC([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=N2)C1	REAL300013497553	1	49	-2.0	-101.02	407.46	5.39	-95.63
CC1CCCN(CC2=CSC([N-]C(=O)NCCC(=O)[O-])=N2)C1	REAL300013497554	1	42	-2.0	-98.94	348.17	2.49	-96.45
CC1CCCN(CC2=CSC([N-]C(=O)NCCCCCC(=O)[O-])=N2)C1	REAL300013497555	1	51	-2.0	-93.17	412.67	4.85	-88.32
CC1CCCN(CC2=CSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2)C1	REAL300013497556	1	46	-2.0	-97.09	376.26	0.78	-96.31
CC1CCCN(CC2=CSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2)C1	REAL300013497557	1	48	-2.0	-100.08	383.61	3.94	-96.14
CC1CCCN(CC2=CSC([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)=N2)C1	REAL300013497558	1	49	-2.0	-97.25	392.61	5.91	-91.34
CC(CN(C)C(=O)[N-]C1=NC(CN2CCCC(C)C2)=CS1)C(=O)[O-]	REAL300013497559	1	48	-2.0	-103.67	382.24	5.70	-97.97
CC1CCCN(CC2=CSC([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)=N2)C1	REAL300013497560	1	52	-2.0	-104.90	402.04	6.90	-98.00
CC1CCCN(CC2=CSC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)C1	REAL300013497561	1	52	-2.0	-98.55	401.98	6.75	-91.80
CC1CCCN(CC2=CSC([N-]C(=O)NCCCC(=O)[O-])=N2)C1	REAL300013497562	1	45	-2.0	-94.55	369.67	3.28	-91.27
CC1CCCN(CC2=CSC([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)=N2)C1	REAL300013497563	1	52	-2.0	-103.10	408.35	7.04	-96.06
CC1CCCN(CC2=CSC([N-]C(=O)NCC3(C(=O)[O-])CCOCC3)=N2)C1	REAL300013497564	1	53	-2.0	-105.21	413.68	3.69	-101.52
CC1CCCN(CC2=CSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2)C1	REAL300013497565	1	51	-2.0	-94.70	402.38	4.15	-90.55
CCC(CC)(CNC(=O)[N-]C1=NC(CN2CCCC(C)C2)=CS1)C(=O)[O-]	REAL300013497566	1	54	-2.0	-107.67	410.58	5.12	-102.55
CC1CCCN(CC2=CSC([N-]C(=O)NC3(CC(=O)[O-])CCC3)=N2)C1	REAL300013497567	1	49	-2.0	-112.53	389.67	4.70	-107.83
CC(CNC(=O)[N-]C1=NC(CN2CCCC(C)C2)=CS1)C(=O)[O-]	REAL300013497568	1	45	-2.0	-99.10	365.83	3.23	-95.87
CC(C)C(CNC(=O)[N-]C1=NC(CN2CCCC(C)C2)=CS1)C(=O)[O-]	REAL300013497569	1	51	-2.0	-106.42	400.19	4.55	-101.87
CC1CCCN(CC2=CSC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)C1	REAL300013497570	1	49	-2.0	-94.82	394.00	4.67	-90.15
CC1CCCN(CC2=CSC([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)=N2)C1	REAL300013497571	1	55	-2.0	-95.50	429.36	7.95	-87.55
CC1CCCN(CC2=CSC([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=N2)C1	REAL300013497572	1	51	-2.0	-97.84	405.72	4.27	-93.57
CC1CCCN(CC2=CSC([N-]C(=O)NCC3(C(=O)[O-])CCCC3)=N2)C1	REAL300013497573	1	52	-2.0	-108.67	409.30	5.48	-103.19
CC1CCCN(CC2=CSC([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)=N2)C1	REAL300013497574	1	52	-2.0	-99.33	408.39	7.06	-92.27
CC1CCCN(CC2=CSC([N-]C(=O)NCC3(C(=O)[O-])CCC3)=N2)C1	REAL300013497575	1	49	-2.0	-108.18	393.11	5.05	-103.13
CC1CCCN(CC2=CSC([N-]C(=O)NCC(CC(=O)[O-])C3CC3)=N2)C1	REAL300013497576	1	52	-2.0	-105.64	418.14	5.69	-99.95
CC1CCCN(CC2=CSC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)C1	REAL300013497577	1	52	-2.0	-98.55	401.98	6.75	-91.80
CC(C)C[C@H](CNC(=O)[N-]C1=NC(CN2CCCC(C)C2)=CS1)CC(=O)[O-]	REAL300013497578	1	57	-2.0	-108.18	436.19	5.70	-102.48
CC1CCCN(CC2=CSC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)C1	REAL300013497579	1	46	-2.0	-107.80	378.27	4.62	-103.18
CC1CCCN(CC2=CSC([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])=N2)C1	REAL300013497580	1	49	-2.0	-118.90	404.01	5.90	-113.00
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CN3CCCC(C)C3)=CS2)C1	REAL300013497581	1	53	-2.0	-110.76	426.20	4.99	-105.77
CC1CCCN(CC2=CSC([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)C1	REAL300013497582	1	46	-2.0	-95.94	378.06	4.25	-91.69
CC1CCCN(CC2=CSC([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)C1	REAL300013497584	1	49	-2.0	-101.81	389.51	6.20	-95.61
CC1CCCN(CC2=CSC([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)=N2)C1	REAL300013497585	1	49	-2.0	-101.49	388.94	6.36	-95.13
CC1CCCN(CC2=CSC([N-]C(=O)NC3CC(C(=O)[O-])C3)=N2)C1	REAL300013497586	1	46	-2.0	-96.26	375.19	3.83	-92.43
CC1CCCN(CC2=CSC([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=N2)C1	REAL300013497587	1	46	-2.0	-95.15	377.54	4.31	-90.84
CC1CCCN(CC2=CSC([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=N2)C1	REAL300013497588	1	49	-2.0	-101.02	407.46	5.39	-95.63
CCC(CNC(=O)[N-]C1=NC(CN2CCCC(C)C2)=CS1)C(=O)[O-]	REAL300013497589	1	48	-2.0	-106.71	388.66	3.95	-102.76
CC1CCCN(CC2=CSC([N-]C(=O)N3CCCCC3CCC(=O)[O-])=N2)C1	REAL300013497590	1	55	-2.0	-114.54	420.43	7.48	-107.06
CC1CCCN(CC2=CSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N2)C1	REAL300013497591	1	57	-2.0	-92.29	455.67	6.41	-85.88
CC1CCCN(CC2=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N2)C1	REAL300013497592	1	54	-2.0	-93.56	434.17	5.63	-87.93
CC1CCCN(CC2=CSC([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)=N2)C1	REAL300013497593	1	52	-2.0	-101.07	404.63	7.21	-93.86
CC1CCCN(CC2=CSC([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)=N2)C1	REAL300013497594	1	55	-2.0	-99.49	429.67	7.94	-91.55
CC1CCCN(CC2=CSC([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)=N2)C1	REAL300013497595	1	50	-2.0	-90.03	401.45	5.19	-84.84
CC1CCCN(CC2=CSC([N-]C(=O)N3CC(C(=O)[O-])CCC3C)=N2)C1	REAL300013497596	1	52	-2.0	-105.64	401.84	6.64	-99.00
CC1CCCN(CC2=CSC([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)=N2)C1	REAL300013497597	1	50	-2.0	-99.79	398.90	4.06	-95.73
CC1CCCN(CC2=CSC([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)=N2)C1	REAL300013497598	0	46	-2.0	-100.02	387.07	6.43	-93.59
CC1CCCN(CC2=CSC([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)=N2)C1	REAL300013497599	1	47	-2.0	-97.33	387.86	4.48	-92.85
CC1CCCN(CC2=CSC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=N2)C1	REAL300013497600	1	52	-2.0	-101.89	407.23	5.55	-96.34
CC1CCCN(CC2=CSC([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)=N2)C1	REAL300013497601	1	55	-2.0	-93.39	428.53	5.76	-87.63
CC1CCCN(CC2=CSC([N-]C(=O)N3CCC(CC(=O)[O-])CC3)=N2)C1	REAL300013497602	1	52	-2.0	-96.20	407.05	7.17	-89.03
CC1CCCN(CC2=CSC([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)=N2)C1	REAL300013497603	1	53	-2.0	-96.46	423.65	6.59	-89.87
CC1CCCN(CC2=CSC([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)C1	REAL300013497604	1	52	-2.0	-96.04	411.97	5.29	-90.75
CC1CCCN(CC2=CSC([N-]C(=O)NC3CCCC(C(=O)[O-])C3)=N2)C1	REAL300013497605	1	52	-2.0	-96.95	405.68	5.47	-91.48
CC1CCCN(CC2=CSC([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)=N2)C1	REAL300013497606	1	53	-2.0	-108.84	414.95	4.07	-104.77
CC1CCCN(CC2=CSC([N-]C(=O)NCC3(C(=O)[O-])CCOC3)=N2)C1	REAL300013497607	1	50	-2.0	-105.24	399.80	3.03	-102.21
CC1CCCN(CC2=CSC([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)=N2)C1	REAL300013497608	1	50	-2.0	-123.63	397.77	6.70	-116.93
CC1CCCN(CC2=CSC([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)C1	REAL300013497609	1	47	-2.0	-100.38	389.27	4.98	-95.40
CC1CCCN(CC2=CSC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)C1	REAL300013497610	1	46	-2.0	-107.80	378.27	4.62	-103.18
CC1CCCN(CC2=CSC([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=N2)C1	REAL300013497611	1	53	-2.0	-100.73	416.81	7.09	-93.64
CC1CCCN(CC2=CSC([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)C1	REAL300013497612	1	50	-2.0	-99.81	397.19	5.74	-94.07
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(CN3CCCC(C)C3)=CS2)C1	REAL300013497613	1	53	-2.0	-99.60	419.12	5.07	-94.53
CC1CCCN(CC2=CSC([N-]C(=O)N3CCC(C(=O)[O-])C3)=N2)C1	REAL300013497614	1	46	-2.0	-98.03	374.89	5.38	-92.65
CC1CCCN(CC2=CSC([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)C1	REAL300013497615	1	47	-2.0	-96.61	387.71	4.81	-91.80
CC1CCCN(CC2=CSC([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)=N2)C1	REAL300013497616	1	55	-2.0	-116.82	413.86	6.46	-110.36
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(CN2CCCC(C)C2)=CS1	REAL300013497617	1	48	-2.0	-97.63	389.43	4.28	-93.35
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1	REAL300013498263	1	41	-2.0	-102.64	355.73	9.22	-93.42
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)=C1	REAL300013498264	0	41	-2.0	-99.29	372.40	9.07	-90.22
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C=C1	REAL300013498265	1	41	-2.0	-96.72	376.06	8.46	-88.26
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498266	1	43	-2.0	-96.72	364.84	7.29	-89.43
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCO1	REAL300013498267	1	39	-2.0	-106.53	347.31	7.58	-98.95
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498268	1	37	-2.0	-107.82	336.55	8.22	-99.60
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1	REAL300013498269	1	44	-2.0	-101.29	378.70	8.13	-93.16
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498270	1	40	-2.0	-100.20	359.80	7.13	-93.07
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)=CC=C1	REAL300013498271	1	41	-2.0	-104.79	376.07	8.45	-96.34
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498272	1	34	-2.0	-104.79	316.81	5.55	-99.24
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498273	1	43	-2.0	-97.36	381.30	7.91	-89.45
CC(O)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013498274	1	38	-2.0	-102.61	344.89	3.84	-98.77
CC(C)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013498275	1	40	-2.0	-106.20	352.25	7.01	-99.19
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)=C1	REAL300013498276	0	44	-2.0	-95.93	393.80	9.88	-86.05
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498277	1	41	-2.0	-114.65	358.29	8.61	-106.04
CC(CN(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013498278	1	40	-2.0	-104.03	349.75	8.51	-95.52
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498279	1	44	-2.0	-106.57	376.02	9.74	-96.83
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1	REAL300013498280	1	44	-2.0	-102.87	367.65	9.40	-93.47
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498281	1	37	-2.0	-98.87	338.30	6.35	-92.52
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1C(=O)[O-]	REAL300013498282	1	44	-2.0	-109.78	374.02	9.69	-100.09
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCOCC1	REAL300013498283	1	45	-2.0	-111.04	378.39	6.51	-104.53
CC(C)(CCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013498284	1	43	-2.0	-98.67	371.01	7.23	-91.44
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013498285	1	46	-2.0	-112.46	381.24	8.37	-104.09
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCC1	REAL300013498286	1	41	-2.0	-115.85	358.25	7.79	-108.06
CC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013498287	1	37	-2.0	-105.41	335.36	6.31	-99.10
CC(C)C(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013498288	1	43	-2.0	-112.49	374.09	7.50	-104.99
CC(NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013498289	1	50	-2.0	-107.22	413.26	9.50	-97.72
CC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013498290	1	47	-2.0	-114.52	401.80	9.91	-104.61
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498291	1	41	-2.0	-98.28	359.72	7.63	-90.65
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1	REAL300013498292	1	47	-2.0	-99.21	395.04	10.61	-88.60
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC=C(CC3=CC=CC=C3)S1)C2	REAL300013498293	1	43	-2.0	-103.15	371.43	7.23	-95.92
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCCC1	REAL300013498294	1	44	-2.0	-112.65	374.99	8.13	-104.52
CC1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCC1C(=O)[O-]	REAL300013498295	1	44	-2.0	-103.35	374.06	9.72	-93.63
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CCC1	REAL300013498296	1	41	-2.0	-111.95	358.78	7.70	-104.25
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C1CC1	REAL300013498297	1	44	-2.0	-112.22	383.81	8.34	-103.88
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1	REAL300013498298	1	44	-2.0	-102.87	367.65	9.40	-93.47
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)CC(=O)[O-]	REAL300013498299	1	49	-2.0	-101.05	410.21	8.95	-92.10
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1	REAL300013498300	1	38	-2.0	-111.13	343.95	7.29	-103.84
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498301	1	41	-2.0	-124.04	369.67	8.57	-115.47
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498302	1	45	-2.0	-116.44	391.87	7.65	-108.79
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498303	1	38	-2.0	-100.19	343.40	6.91	-93.28
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498305	1	41	-2.0	-108.13	355.22	9.16	-98.97
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498306	1	41	-2.0	-108.28	355.67	9.18	-99.10
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498307	1	38	-2.0	-100.23	343.77	6.91	-93.32
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498308	1	38	-2.0	-99.57	343.65	6.95	-92.62
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)=CC=C1	REAL300013498309	1	41	-2.0	-104.79	376.07	8.45	-96.34
CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013498310	1	40	-2.0	-111.07	357.31	7.01	-104.06
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498311	1	47	-2.0	-121.47	389.01	10.56	-110.91
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498312	1	49	-2.0	-96.45	424.29	9.47	-86.98
O=C([O-])CCCCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498313	1	46	-2.0	-98.15	402.80	8.69	-89.46
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498314	1	40	-2.0	-108.75	358.05	9.02	-99.73
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498315	1	44	-2.0	-107.62	370.31	9.88	-97.74
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498316	1	48	-2.0	-111.82	402.31	9.05	-102.77
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498317	1	44	-2.0	-109.18	389.70	8.38	-100.80
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498318	1	47	-2.0	-105.25	395.33	10.59	-94.66
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC2=CC=CC=C21	REAL300013498319	1	45	-2.0	-128.40	387.90	11.76	-116.64
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1	REAL300013498320	1	42	-2.0	-93.68	367.13	7.83	-85.85
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300013498321	1	44	-2.0	-107.06	370.42	9.72	-97.34
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C1	REAL300013498322	1	42	-2.0	-105.83	364.56	6.70	-99.13
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)C2=CC=CC=C21	REAL300013498323	1	45	-2.0	-102.15	398.75	9.68	-92.47
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)=C1	REAL300013498324	0	38	-2.0	-105.86	352.77	9.06	-96.80
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3)S2)CC1	REAL300013498325	1	48	-2.0	-105.52	398.64	9.33	-96.19
O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(CC4=CC=CC=C4)S3)(C1)C2	REAL300013498326	1	39	-2.0	-102.99	353.52	7.14	-95.85
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CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC=CC=C3)S2)C1	REAL300013498671	0	37	-2.0	-108.19	331.98	6.46	-101.73
CC(CN(C)C(=O)[N-]C1=NN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300013498672	0	36	-2.0	-115.39	323.39	6.73	-108.66
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CC=CC=C3)S2)C1	REAL300013498673	0	40	-2.0	-108.87	342.40	7.90	-100.97
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O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC2=CC=CC=C21	REAL300013498852	1	39	-2.0	-125.09	328.48	8.70	-116.39
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC3=C(CCC3)S2)CCO1	REAL300013498853	1	46	-2.0	-98.00	383.13	5.75	-92.25
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013498854	1	36	-2.0	-96.70	309.69	5.22	-91.48
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013498855	1	38	-2.0	-109.01	312.82	7.15	-101.86
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NC3=C(CCC3)S2)C[C@H]1C1=CC=CC=C1	REAL300013498856	1	42	-2.0	-111.99	360.03	8.97	-103.02
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013498857	1	36	-2.0	-103.21	305.13	3.69	-99.52
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)C2=CC=CC=C21	REAL300013498858	1	39	-2.0	-103.99	336.88	6.85	-97.14
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)C1=O	REAL300013498859	1	42	-2.0	-138.02	346.93	6.05	-131.97
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=C(CCC3)S2)=C1	REAL300013498860	0	32	-2.0	-109.01	295.33	6.46	-102.55
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013498861	1	42	-2.0	-104.69	339.11	6.29	-98.40
O=C([O-])CC1(CNC(=O)[N-]C2=NC3=C(CCC3)S2)CCCCC1	REAL300013498862	1	44	-2.0	-103.79	341.98	6.53	-97.26
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013498863	1	38	-2.0	-104.33	313.45	5.51	-98.82
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013498864	1	41	-2.0	-96.73	337.63	5.82	-90.91
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013498865	1	38	-2.0	-99.51	313.22	6.82	-92.69
O=C([O-])COC1CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013498866	1	39	-2.0	-99.87	329.82	6.24	-93.63
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013498867	1	38	-2.0	-103.64	321.26	5.52	-98.12
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013498868	1	38	-2.0	-103.28	316.30	5.93	-97.35
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCC3)S2)CCCOC1	REAL300013498869	1	39	-2.0	-116.98	323.20	4.11	-112.87
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCC3)S2)CCOC1	REAL300013498870	1	36	-2.0	-112.88	308.01	3.08	-109.80
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013498871	1	36	-2.0	-127.14	304.32	6.36	-120.78
CC(C)(CC1=CC=C(CNC(=O)[N-]C2=NC3=C(CCC3)S2)C=C1)C(=O)[O-]	REAL300013498872	1	47	-2.0	-97.43	393.26	8.24	-89.19
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC12CCC2	REAL300013498873	1	39	-2.0	-104.04	323.04	6.74	-97.30
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013498874	1	35	-2.0	-100.93	315.17	5.80	-95.13
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCC3)S2)CCO1	REAL300013498875	1	36	-2.0	-103.19	303.38	5.38	-97.81
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013498876	1	39	-2.0	-108.97	330.31	5.52	-103.45
O=C([O-])CN1C(=O)NC2(CCN(C(=O)[N-]C3=NC4=C(CCC4)S3)CC2)C1=O	REAL300013498877	1	44	-2.0	-101.41	376.09	5.10	-96.31
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NC4=C(CCC4)S3)=CC=C21	REAL300013498878	0	39	-2.0	-107.33	348.23	7.96	-99.37
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCCCC1	REAL300013498879	1	41	-2.0	-124.04	325.02	6.92	-117.12
CC(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013498880	0	37	-2.0	-94.62	328.24	5.90	-88.72
CC(C)C1=CSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013498881	1	37	-2.0	-92.83	331.89	5.29	-87.54
CC(C)C1=CSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013498882	1	40	-2.0	-95.59	334.52	4.97	-90.62
CC(C)C1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013498883	1	37	-2.0	-100.16	331.92	5.28	-94.88
CC(C)C1=CSC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013498884	1	47	-2.0	-100.06	382.94	9.31	-90.75
CC(C)C1=CSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013498885	0	40	-2.0	-91.52	349.64	6.71	-84.81
CC(C)C1=CSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013498886	1	40	-2.0	-103.96	327.17	6.84	-97.12
CC(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013498887	1	40	-2.0	-98.05	323.49	6.23	-91.82
CC(C)C1=CSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013498888	1	40	-2.0	-102.38	329.86	6.53	-95.85
CC(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013498889	1	41	-2.0	-105.93	334.21	3.36	-102.57
CCC(CC)(CNC(=O)[N-]C1=NC(C(C)C)=CS1)C(=O)[O-]	REAL300013498890	1	42	-2.0	-108.14	339.72	4.87	-103.27
CC(C)C1=CSC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013498891	1	48	-2.0	-94.17	390.39	6.82	-87.35
CC(C)C1=CSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013498892	1	46	-2.0	-101.55	366.52	5.74	-95.81
CC(C)C1=CSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013498893	1	43	-2.0	-109.07	357.64	6.75	-102.32
CC(C)C1=CSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013498894	1	43	-2.0	-95.07	350.86	7.45	-87.62
CC(C)C1=CSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013498895	1	39	-2.0	-96.67	327.27	4.06	-92.61
CC(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013498896	1	40	-2.0	-108.42	332.61	5.24	-103.18
CC(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013498897	1	40	-2.0	-98.55	329.89	6.56	-91.99
CC(C)C1=CSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013498898	1	40	-2.0	-105.10	339.63	5.17	-99.93
CC(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013498899	1	40	-2.0	-98.05	323.49	6.23	-91.82
CC(C)C[C@H](CNC(=O)[N-]C1=NC(C(C)C)=CS1)CC(=O)[O-]	REAL300013498900	1	45	-2.0	-96.62	366.06	5.79	-90.83
CC(C)C1=CSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013498901	1	37	-2.0	-117.68	325.50	5.41	-112.27
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C(C)C)=CS2)C1	REAL300013498902	1	41	-2.0	-110.01	347.71	4.48	-105.53
CC(C)C1=CSC([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013498904	1	47	-2.0	-121.94	388.75	7.42	-114.52
CC(C)C1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013498905	1	37	-2.0	-100.16	331.92	5.28	-94.88
CC(C)C1=CSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013498906	1	43	-2.0	-113.47	344.23	7.36	-106.11
CC(C)C1=CSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013498907	1	45	-2.0	-91.94	380.12	6.31	-85.63
CC(C)C1=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013498908	1	42	-2.0	-93.10	358.62	5.53	-87.57
CC(C)C1=CSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013498909	1	40	-2.0	-100.38	326.16	6.73	-93.65
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C(C)C)=CS2)C1	REAL300013498910	1	44	-2.0	-104.66	358.16	5.89	-98.77
CC(C)C1=CSC([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013498911	1	46	-2.0	-103.94	383.68	7.43	-96.51
CC(C)C1=CSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013498912	1	43	-2.0	-98.89	351.16	7.42	-91.47
CC(C)C1=CSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013498913	1	41	-2.0	-120.41	343.80	8.55	-111.86
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC(C(C)C)=CS2)CCO1	REAL300013498914	1	48	-2.0	-94.17	398.46	5.61	-88.56
CC(C)C1=CSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013498915	1	38	-2.0	-89.54	322.96	4.67	-84.87
CC(C)C1=CSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013498916	1	40	-2.0	-104.59	326.25	6.56	-98.03
CC(C)C1=CSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013498917	1	44	-2.0	-112.70	371.44	8.33	-104.37
CC(C)C1=CSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013498918	1	38	-2.0	-99.13	320.41	3.54	-95.59
CC(C)C1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013498919	1	41	-2.0	-97.39	354.59	6.52	-90.87
CC(C)C1=CSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013498920	1	44	-2.0	-126.77	360.21	5.51	-121.26
CC(C)C1=CSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013498921	0	34	-2.0	-99.56	308.61	5.91	-93.65
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C(C)C)=CS2)CC1	REAL300013498922	1	44	-2.0	-100.75	354.47	6.17	-94.58
CC(C)C1=CSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013498923	1	46	-2.0	-111.84	355.54	5.95	-105.89
CC(C)C1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013498924	1	40	-2.0	-100.82	330.10	5.40	-95.42
CC(C)C1=CSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013498925	1	43	-2.0	-92.90	352.97	5.66	-87.24
CC(C)C1=CSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013498926	1	40	-2.0	-95.50	328.55	6.67	-88.83
CC(C)C1=CSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013498927	1	41	-2.0	-96.02	345.15	6.09	-89.93
CC(C)C1=CSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013498928	1	40	-2.0	-95.65	334.53	4.97	-90.68
CC(C)C1=CSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013498929	1	40	-2.0	-95.96	329.56	5.38	-90.58
CC(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013498930	1	41	-2.0	-107.74	336.46	3.55	-104.19
CC(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013498931	1	38	-2.0	-104.59	321.27	2.52	-102.07
CC(C)C1=CSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013498932	1	38	-2.0	-122.35	319.23	6.20	-116.15
CC(C)C1=CSC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013498933	1	49	-2.0	-90.44	406.52	7.68	-82.76
CC(C)C1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013498934	1	41	-2.0	-99.97	338.31	6.58	-93.39
CC(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013498935	1	37	-2.0	-96.81	330.47	5.65	-91.16
CC(C)C1=CSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013498936	1	38	-2.0	-99.13	318.72	5.23	-93.90
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C(C)C)=CS2)C1	REAL300013498937	1	41	-2.0	-98.76	343.58	4.98	-93.78
CC(C)C1=CSC([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013498938	1	46	-2.0	-93.95	389.37	4.55	-89.40
CC(C)C1=CSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013498939	0	41	-2.0	-101.07	361.51	7.40	-93.67
CC(C)C1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013498940	1	43	-2.0	-114.58	338.30	6.37	-108.21
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CC1	REAL300013499026	1	41	-2.0	-103.97	367.35	9.56	-94.41
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013499027	1	43	-2.0	-98.13	376.50	7.62	-90.51
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CCO1	REAL300013499028	1	39	-2.0	-107.55	358.98	7.92	-99.63
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013499029	1	37	-2.0	-108.88	348.21	8.55	-100.33
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CC1	REAL300013499030	1	44	-2.0	-102.32	390.37	8.46	-93.86
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013499031	1	40	-2.0	-101.24	371.46	7.47	-93.77
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013499032	1	34	-2.0	-105.91	328.46	5.89	-100.02
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013499033	1	43	-2.0	-98.62	392.96	8.25	-90.37
CC(O)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013499034	1	38	-2.0	-103.69	356.98	4.25	-99.44
CC(C)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013499035	1	40	-2.0	-107.32	363.90	7.35	-99.97
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)C1	REAL300013499036	1	41	-2.0	-104.25	371.34	8.97	-95.28
CC(CN(C)C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013499037	1	40	-2.0	-111.65	363.35	9.13	-102.52
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)C1	REAL300013499038	1	44	-2.0	-108.64	387.00	10.04	-98.60
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CC1	REAL300013499039	1	44	-2.0	-104.31	379.27	9.73	-94.58
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013499040	1	37	-2.0	-100.23	349.97	6.69	-93.54
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC=C3Cl)S2)CC1C(=O)[O-]	REAL300013499041	1	44	-2.0	-109.46	382.05	9.91	-99.55
CC(C)(CCNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013499042	1	43	-2.0	-100.14	382.67	7.56	-92.58
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013499043	1	46	-2.0	-113.95	390.85	8.53	-105.42
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CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013499059	1	40	-2.0	-111.69	363.94	7.47	-104.22
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CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013499061	1	40	-2.0	-109.88	369.71	9.36	-100.52
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CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300013499079	1	40	-2.0	-102.68	369.72	7.68	-95.00
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CC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300013499082	1	37	-2.0	-103.61	355.76	6.92	-96.69
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CC(C)(C1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1)C1=CC=CC=C1	REAL300013501598	0	46	-2.0	-110.22	381.27	8.80	-101.42
CC(C)(C1=NN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1)C1=CC=CC=C1	REAL300013501599	0	46	-2.0	-106.10	397.92	8.68	-97.42
CC(C)(C1=NN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1)C1=CC=CC=C1	REAL300013501600	0	46	-2.0	-103.23	401.61	8.07	-95.16
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1	REAL300013501601	0	48	-2.0	-103.60	390.38	6.90	-96.70
CC(C)(C1=NN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501602	0	44	-2.0	-114.18	372.87	7.18	-107.00
CN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1	REAL300013501603	0	42	-2.0	-116.00	362.09	7.83	-108.17
CC(C)(C1=NN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1)C1=CC=CC=C1	REAL300013501604	0	49	-2.0	-108.93	404.30	7.72	-101.21
CC(C)(C1=NN=C([N-]C(=O)NCCCCC(=O)[O-])S1)C1=CC=CC=C1	REAL300013501605	0	45	-2.0	-107.46	385.34	6.74	-100.72
CC(C)(C1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1)C1=CC=CC=C1	REAL300013501606	0	46	-2.0	-111.97	401.61	8.06	-103.91
CC(C)(C1=NN=C([N-]C(=O)NCCC(=O)[O-])S1)C1=CC=CC=C1	REAL300013501607	0	39	-2.0	-112.44	342.35	5.16	-107.28
CC(C)(C1=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S1)C1=CC=CC=C1	REAL300013501608	0	48	-2.0	-104.13	406.84	7.52	-96.61
CC(O)(CNC(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1)C(=O)[O-]	REAL300013501609	0	43	-2.0	-110.02	370.85	3.51	-106.51
CC(C)(CNC(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1)C(=O)[O-]	REAL300013501610	0	45	-2.0	-113.72	377.20	6.63	-107.09
CC(C)(C1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501611	0	46	-2.0	-122.48	383.86	8.22	-114.26
CC(CN(C)C(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1)C(=O)[O-]	REAL300013501612	0	45	-2.0	-118.59	376.42	8.37	-110.22
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C(C)(C)C3=CC=CC=C3)S2)C1	REAL300013501613	0	49	-2.0	-113.22	401.57	9.33	-103.89
CC(C)(C1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1)C1=CC=CC=C1	REAL300013501614	0	49	-2.0	-109.69	393.20	9.01	-100.68
CC(C)(C1=NN=C([N-]C(=O)NCCCC(=O)[O-])S1)C1=CC=CC=C1	REAL300013501615	0	42	-2.0	-105.78	363.84	5.96	-99.82
CC1CCN(C(=O)[N-]C2=NN=C(C(C)(C)C3=CC=CC=C3)S2)CC1C(=O)[O-]	REAL300013501616	0	49	-2.0	-118.01	399.57	9.29	-108.72
CC(C)(CCNC(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1)C(=O)[O-]	REAL300013501617	0	48	-2.0	-105.57	397.13	6.84	-98.73
CCC(CC)(CNC(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1)C(=O)[O-]	REAL300013501618	0	51	-2.0	-119.09	404.73	7.80	-111.29
CC(C)(C1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1)C1=CC=CC=C1	REAL300013501619	0	46	-2.0	-124.98	383.82	7.40	-117.58
CC(CNC(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1)C(=O)[O-]	REAL300013501620	0	42	-2.0	-113.20	360.89	5.92	-107.28
CC(C)C(CNC(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1)C(=O)[O-]	REAL300013501621	0	48	-2.0	-118.95	393.37	7.25	-111.70
CC(C)(C1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501622	0	46	-2.0	-105.13	385.27	7.24	-97.89
CC(C)(C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1)C1=CC=CC=C1	REAL300013501623	0	49	-2.0	-120.63	402.37	8.00	-112.63
CC1CN(C(=O)[N-]C2=NN=C(C(C)(C)C3=CC=CC=C3)S2)CCC1C(=O)[O-]	REAL300013501624	0	49	-2.0	-106.86	393.20	9.47	-97.39
CC(C)(C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1)C1=CC=CC=C1	REAL300013501625	0	46	-2.0	-118.83	384.39	7.30	-111.53
CC(C)(C1=NN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1)C1=CC=CC=C1	REAL300013501626	0	49	-2.0	-119.92	409.35	7.95	-111.97
CC(C)(C1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1)C1=CC=CC=C1	REAL300013501627	0	49	-2.0	-109.69	393.20	9.01	-100.68
CC(C)(C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1)C1=CC=CC=C1	REAL300013501628	0	43	-2.0	-117.97	369.55	6.89	-111.08
CC(C)(C1=NN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1)C1=CC=CC=C1	REAL300013501629	0	46	-2.0	-132.82	395.22	8.18	-124.64
CC(C)(C1=NN=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501630	0	43	-2.0	-106.98	368.92	6.52	-100.46
CC(C)(C1=NN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501631	0	46	-2.0	-116.06	380.76	8.76	-107.30
CC(C)(C1=NN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501632	0	46	-2.0	-116.45	381.22	8.78	-107.67
CC(C)(C1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501633	0	43	-2.0	-107.33	369.31	6.51	-100.82
CC(C)(C1=NN=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501634	0	43	-2.0	-106.76	368.82	6.57	-100.19
CC(C)(C1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1)C1=CC=CC=C1	REAL300013501635	0	46	-2.0	-111.97	401.61	8.06	-103.91
CCC(CNC(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1)C(=O)[O-]	REAL300013501636	0	45	-2.0	-118.66	382.84	6.62	-112.04
CC(C)(C1=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1)C1=CC=CC=C1	REAL300013501637	0	51	-2.0	-105.18	428.34	8.30	-96.88
CN(CCCC(=O)[O-])C(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1	REAL300013501638	0	45	-2.0	-116.54	383.59	8.63	-107.91
CC(C)(C1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501639	0	49	-2.0	-115.82	395.83	9.49	-106.33
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1	REAL300013501640	0	49	-2.0	-115.82	415.28	7.98	-107.84
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(C(C)(C)C2=CC=CC=C2)S1	REAL300013501641	0	49	-2.0	-113.80	395.99	9.33	-104.47
CC(C)(C1=NN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501642	0	47	-2.0	-113.62	390.18	6.31	-107.31
CC(C)(C1=NN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1)C1=CC=CC=C1	REAL300013501643	0	43	-2.0	-113.58	378.29	8.68	-104.90
CC(C)(C1=NN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1)C1=CC=CC=C1	REAL300013501644	0	44	-2.0	-111.14	379.09	6.75	-104.39
CC(C)(C1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1)C1=CC=CC=C1	REAL300013501645	0	49	-2.0	-111.21	398.49	8.11	-103.10
CC(C)(C1=NN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1)C1=CC=CC=C1	REAL300013501646	0	49	-2.0	-106.17	398.27	9.42	-96.75
CC(C)(C1=NN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501647	0	49	-2.0	-107.00	403.75	7.72	-99.28
CC(C)(C1=NN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501648	0	49	-2.0	-107.04	399.83	8.16	-98.88
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CC(CN(C)C(=O)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013501696	0	39	-2.0	-104.52	351.19	7.27	-97.25
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CC(C)(CCNC(=O)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013501702	0	42	-2.0	-98.70	372.44	5.99	-92.71
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CCC(CNC(=O)[N-]C1=NN=C(C(CC)C2=CC=CC=C2)S1)C(=O)[O-]	REAL300013501881	0	45	-2.0	-113.10	383.76	7.18	-105.92
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CCC(C1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300013501884	0	49	-2.0	-111.67	401.64	9.83	-101.84
CCC(C1=NN=C([N-]C(=O)N(CCOC)CCC(=O)[O-])S1)C1=CC=CC=C1	REAL300013501885	0	49	-2.0	-111.22	421.10	8.32	-102.90
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CC(O)(CNC(=O)[N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013502085	0	37	-2.0	-105.02	346.75	2.67	-102.35
CC(C)(CNC(=O)[N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013502086	0	39	-2.0	-108.75	353.10	5.80	-102.95
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CC(CN(C)C(=O)[N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013502088	0	39	-2.0	-107.14	351.19	7.27	-99.87
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CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013502090	0	43	-2.0	-104.86	369.09	8.16	-96.70
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CC(CNC(=O)[N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013502097	0	36	-2.0	-107.64	335.91	5.06	-102.58
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CC1CN(C(=O)[N-]C2=NN=C(CC3=CC=CC(F)=C3)S2)CCC1C(=O)[O-]	REAL300013502103	0	43	-2.0	-105.44	375.50	8.48	-96.96
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COC1=CC=C(C2=NN=C([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)S2)C=C1	REAL300013503021	0	41	-2.0	-98.64	377.69	5.83	-92.81
COC1=CC=C(C2=NN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S2)C=C1	REAL300013503022	0	43	-2.0	-98.56	366.47	4.65	-93.91
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCOC(C(=O)[O-])C3)S2)C=C1	REAL300013503023	0	39	-2.0	-108.79	348.94	4.94	-103.85
COC1=CC=C(C2=NN=C([N-]C(=O)N(C)CCC(=O)[O-])S2)C=C1	REAL300013503024	0	37	-2.0	-110.48	338.18	5.57	-104.91
COC1=CC=C(C2=NN=C([N-]C(=O)NC3CCC(C(=O)[O-])CC3)S2)C=C1	REAL300013503025	0	44	-2.0	-103.90	380.33	5.49	-98.41
COC1=CC=C(C2=NN=C([N-]C(=O)NCCCCC(=O)[O-])S2)C=C1	REAL300013503026	0	40	-2.0	-102.41	361.43	4.49	-97.92
COC1=CC=C(C2=NN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)C=C1	REAL300013503027	0	41	-2.0	-106.40	377.70	5.82	-100.58
COC1=CC=C(C2=NN=C([N-]C(=O)NCCC(=O)[O-])S2)C=C1	REAL300013503028	0	34	-2.0	-106.81	318.44	2.92	-103.89
COC1=CC=C(C2=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S2)C=C1	REAL300013503029	0	43	-2.0	-99.41	382.93	5.28	-94.13
COC1=CC=C(C2=NN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S2)C=C1	REAL300013503030	0	38	-2.0	-104.47	346.94	1.26	-103.21
COC1=CC=C(C2=NN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S2)C=C1	REAL300013503031	0	40	-2.0	-108.03	353.29	4.38	-103.65
COC1=CC=C(C2=NN=C([N-]C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)S2)C=C1	REAL300013503032	0	44	-2.0	-97.75	395.13	7.28	-90.47
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)S2)C=C1	REAL300013503033	0	41	-2.0	-105.04	361.34	6.00	-99.04
COC1=CC=C(C2=NN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S2)C=C1	REAL300013503034	0	40	-2.0	-112.95	352.50	6.13	-106.82
COC1=CC=C(C2=NN=C([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)S2)C=C1	REAL300013503035	0	44	-2.0	-107.12	372.33	7.33	-99.79
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)S2)C=C1	REAL300013503036	0	44	-2.0	-104.81	369.28	6.78	-98.03
COC1=CC=C(C2=NN=C([N-]C(=O)NCCCC(=O)[O-])S2)C=C1	REAL300013503037	0	37	-2.0	-100.54	339.93	3.71	-96.83
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)S2)C=C1	REAL300013503038	0	44	-2.0	-112.15	375.65	7.05	-105.10
COC1=CC=C(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CCOCC3)S2)C=C1	REAL300013503039	0	45	-2.0	-110.27	381.01	3.69	-106.58
COC1=CC=C(C2=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S2)C=C1	REAL300013503040	0	43	-2.0	-100.39	373.22	4.60	-95.79
CCC(CC)(CNC(=O)[N-]C1=NN=C(C2=CC=C(OC)C=C2)S1)C(=O)[O-]	REAL300013503041	0	46	-2.0	-113.54	382.87	5.73	-107.81
COC1=CC=C(C2=NN=C([N-]C(=O)NC3(CC(=O)[O-])CCC3)S2)C=C1	REAL300013503042	0	41	-2.0	-117.72	359.88	5.15	-112.57
COC1=CC=C(C2=NN=C([N-]C(=O)NCC(C)C(=O)[O-])S2)C=C1	REAL300013503043	0	37	-2.0	-107.40	336.98	3.68	-103.72
COC1=CC=C(C2=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S2)C=C1	REAL300013503044	0	43	-2.0	-113.48	375.72	4.86	-108.62
COC1=CC=C(C2=NN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013503045	0	41	-2.0	-99.99	361.35	4.99	-95.00
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)S2)C=C1	REAL300013503046	0	47	-2.0	-101.34	396.67	7.97	-93.37
COC1=CC=C(C2=NN=C([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)S2)C=C1	REAL300013503047	0	43	-2.0	-118.26	373.75	4.50	-113.76
COC1=CC=C(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CCCC3)S2)C=C1	REAL300013503048	0	44	-2.0	-114.72	378.39	5.76	-108.96
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)S2)C=C1	REAL300013503049	0	44	-2.0	-105.24	375.69	7.07	-98.17
COC1=CC=C(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CCC3)S2)C=C1	REAL300013503050	0	41	-2.0	-112.33	361.32	4.92	-107.41
COC1=CC=C(C2=NN=C([N-]C(=O)NCC(CC(=O)[O-])C3CC3)S2)C=C1	REAL300013503051	0	44	-2.0	-114.18	385.44	5.71	-108.47
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)S2)C=C1	REAL300013503052	0	44	-2.0	-104.81	369.28	6.78	-98.03
COC1=CC=C(C2=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S2)C=C1	REAL300013503053	0	49	-2.0	-102.45	411.85	6.32	-96.13
COC1=CC=C(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1	REAL300013503054	0	38	-2.0	-111.47	345.22	4.54	-106.93
COC1=CC=C(C2=NN=C([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])S2)C=C1	REAL300013503055	0	41	-2.0	-125.36	371.33	5.91	-119.45
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC=C(OC)C=C3)S2)C1	REAL300013503056	0	45	-2.0	-115.20	391.94	5.03	-110.17
COC1=CC=C(C2=NN=C([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013503057	0	38	-2.0	-101.83	345.39	4.27	-97.56
COC1=CC=C(C2=NN=C([N-]C(=O)NC3CCN(CC(=O)[O-])CC3)S2)C=C1	REAL300013503058	0	46	-2.0	-98.62	393.44	3.34	-95.28
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013503059	0	41	-2.0	-110.52	356.85	6.52	-104.00
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)S2)C=C1	REAL300013503060	0	41	-2.0	-110.63	357.30	6.54	-104.09
COC1=CC=C(C2=NN=C([N-]C(=O)NC3CC(C(=O)[O-])C3)S2)C=C1	REAL300013503061	0	38	-2.0	-101.92	345.40	4.27	-97.65
COC1=CC=C(C2=NN=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)C=C1	REAL300013503062	0	38	-2.0	-101.54	345.29	4.32	-97.22
COC1=CC=C(C2=NN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)C=C1	REAL300013503063	0	41	-2.0	-106.40	377.70	5.82	-100.58
CCC(CNC(=O)[N-]C1=NN=C(C2=CC=C(OC)C=C2)S1)C(=O)[O-]	REAL300013503064	0	40	-2.0	-112.21	358.94	4.38	-107.83
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCCCC3CCC(=O)[O-])S2)C=C1	REAL300013503065	0	47	-2.0	-125.90	390.02	7.88	-118.02
COC1=CC=C(C2=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S2)C=C1	REAL300013503066	0	49	-2.0	-98.55	425.93	6.84	-91.71
COC1=CC=C(C2=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S2)C=C1	REAL300013503067	0	46	-2.0	-100.45	404.43	6.06	-94.39
COC1=CC=C(C2=NN=C([N-]C(=O)N(C)CCCC(=O)[O-])S2)C=C1	REAL300013503068	0	40	-2.0	-111.55	359.68	6.38	-105.17
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)S2)C=C1	REAL300013503069	0	44	-2.0	-110.02	371.94	7.24	-102.78
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C2=CC=C(OC)C=C2)S1	REAL300013503070	0	44	-2.0	-109.95	391.36	5.74	-104.21
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)S2)C=C1	REAL300013503071	0	47	-2.0	-108.10	397.00	7.95	-100.15
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)S2)C=C1	REAL300013503072	0	42	-2.0	-95.43	368.76	5.19	-90.24
COC1=CC=C(C2=NN=C([N-]C(=O)N3CC(C(=O)[O-])CCC3C)S2)C=C1	REAL300013503073	0	44	-2.0	-108.27	373.27	7.13	-101.14
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)S2)C=C1	REAL300013503074	0	42	-2.0	-108.11	366.26	4.07	-104.04
COC1=CC=C(C2=NN=C([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)S2)C=C1	REAL300013503075	0	38	-2.0	-108.38	354.40	6.44	-101.94
COC1=CC=C(C2=NN=C([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)S2)C=C1	REAL300013503076	0	39	-2.0	-105.87	355.14	4.50	-101.37
COC1=CC=C(C2=NN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)S2)C=C1	REAL300013503077	0	44	-2.0	-105.83	375.90	5.93	-99.90
COC1=CC=C(C2=NN=C([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)S2)C=C1	REAL300013503078	0	47	-2.0	-99.15	398.77	6.20	-92.95
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(CC(=O)[O-])CC3)S2)C=C1	REAL300013503079	0	44	-2.0	-100.88	374.36	7.19	-93.69
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)S2)C=C1	REAL300013503080	0	45	-2.0	-102.46	390.96	6.61	-95.85
COC1=CC=C(C2=NN=C([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013503081	0	44	-2.0	-101.92	379.80	5.48	-96.44
COC1=CC=C(C2=NN=C([N-]C(=O)NC3CCCC(C(=O)[O-])C3)S2)C=C1	REAL300013503082	0	44	-2.0	-102.33	380.32	5.49	-96.84
COC1=CC=C(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)S2)C=C1	REAL300013503083	0	45	-2.0	-114.21	382.27	4.07	-110.14
COC1=CC=C(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CCOC3)S2)C=C1	REAL300013503084	0	42	-2.0	-108.74	366.36	3.20	-105.54
COC1=CC=C(C2=NN=C([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)S2)C=C1	REAL300013503085	0	42	-2.0	-104.93	361.14	6.64	-98.29
COC1=CC=C(C2=NN=C([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1	REAL300013503086	0	39	-2.0	-105.35	356.81	4.99	-100.36
COC1=CC=C(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1	REAL300013503087	0	38	-2.0	-111.47	345.22	4.54	-106.93
COC1=CC=C(C2=NN=C([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)S2)C=C1	REAL300013503088	0	45	-2.0	-104.90	384.11	7.12	-97.78
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)S2)C=C1	REAL300013503089	0	42	-2.0	-108.33	364.46	5.73	-102.60
COC1=CC=C(C2=NN=C([N-]C(=O)N3CC(OC)CC(C(=O)[O-])C3)S2)C=C1	REAL300013503090	0	45	-2.0	-108.00	389.37	5.49	-102.51
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C(=O)[O-])C3)S2)C=C1	REAL300013503091	0	38	-2.0	-106.38	341.84	5.39	-100.99
COC1=CC=C(C2=NN=C([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1	REAL300013503092	0	39	-2.0	-104.22	355.82	5.02	-99.20
COC1=CC=C(C2=NN=C([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)S2)C=C1	REAL300013503093	0	47	-2.0	-122.06	384.09	6.89	-115.17
COC1=CC=C(C2=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S2)C=C1	REAL300013503094	0	40	-2.0	-103.11	359.69	4.71	-98.40
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(C(=O)[O-])CC3)S2)=CC(C)=C1	REAL300013503095	0	43	-2.0	-106.91	370.25	8.48	-98.43
CC1=CC(C2=NN=C([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)S2)=CC(C)=C1	REAL300013503096	0	43	-2.0	-107.54	386.89	8.33	-99.21
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)S2)=C1	REAL300013503097	0	43	-2.0	-100.59	390.57	7.72	-92.87
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S2)=C1	REAL300013503098	0	45	-2.0	-100.74	379.35	6.54	-94.20
CC1=CC(C2=NN=C([N-]C(=O)N3CCOC(C(=O)[O-])C3)S2)=CC(C)=C1	REAL300013503099	0	41	-2.0	-110.99	361.73	6.83	-104.16
CC1=CC(C2=NN=C([N-]C(=O)NC3CCC(C(=O)[O-])CC3)S2)=CC(C)=C1	REAL300013503100	0	46	-2.0	-106.12	393.21	7.39	-98.73
CC1=CC(C2=NN=C([N-]C(=O)NCCCCC(=O)[O-])S2)=CC(C)=C1	REAL300013503101	0	42	-2.0	-104.48	374.31	6.39	-98.09
CC1=CC(C2=NN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)=CC(C)=C1	REAL300013503102	0	43	-2.0	-108.59	390.58	7.71	-100.88
CC1=CC(C2=NN=C([N-]C(=O)NCCC(=O)[O-])S2)=CC(C)=C1	REAL300013503103	0	36	-2.0	-109.10	331.32	4.81	-104.29
CC1=CC(C2=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S2)=CC(C)=C1	REAL300013503104	0	45	-2.0	-101.35	395.81	7.17	-94.18
CC1=CC(C2=NN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S2)=CC(C)=C1	REAL300013503105	0	40	-2.0	-106.80	359.41	3.10	-103.70
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S2)=C1	REAL300013503106	0	42	-2.0	-110.42	366.17	6.28	-104.14
CC1=CC(C2=NN=C([N-]C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)S2)=CC(C)=C1	REAL300013503107	0	46	-2.0	-99.73	408.02	9.17	-90.56
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)S2)=C1	REAL300013503108	0	43	-2.0	-107.21	374.23	7.90	-99.31
CC1=CC(C2=NN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S2)=CC(C)=C1	REAL300013503109	0	42	-2.0	-115.43	365.38	8.01	-107.42
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)S2)=C1	REAL300013503110	0	46	-2.0	-109.51	385.21	9.22	-100.29
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)S2)=C1	REAL300013503111	0	46	-2.0	-106.99	382.16	8.66	-98.33
CC1=CC(C2=NN=C([N-]C(=O)NCCCC(=O)[O-])S2)=CC(C)=C1	REAL300013503112	0	39	-2.0	-102.76	352.81	5.60	-97.16
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)S2)=C1	REAL300013503113	0	46	-2.0	-114.50	388.53	8.95	-105.55
CC1=CC(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CCOCC3)S2)=CC(C)=C1	REAL300013503114	0	47	-2.0	-112.80	393.89	5.59	-107.21
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S2)=C1	REAL300013503115	0	45	-2.0	-102.55	386.10	6.49	-96.06
CCC(CC)(CNC(=O)[N-]C1=NN=C(C2=CC(C)=CC(C)=C2)S1)C(=O)[O-]	REAL300013503116	0	48	-2.0	-116.91	398.41	7.29	-109.62
CC1=CC(C2=NN=C([N-]C(=O)NC3(CC(=O)[O-])CCC3)S2)=CC(C)=C1	REAL300013503117	0	43	-2.0	-120.35	372.76	7.05	-113.30
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)NCC(C)C(=O)[O-])S2)=C1	REAL300013503118	0	39	-2.0	-109.79	349.86	5.57	-104.22
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S2)=C1	REAL300013503119	0	45	-2.0	-115.92	388.60	6.75	-109.17
CC1=CC(C2=NN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)S2)=CC(C)=C1	REAL300013503120	0	43	-2.0	-102.13	374.23	6.90	-95.23
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)S2)=CC(C)=C1	REAL300013503121	0	49	-2.0	-103.42	409.55	9.87	-93.55
CC1=CC(C2=NN=C([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)S2)=CC(C)=C1	REAL300013503122	0	45	-2.0	-120.78	386.64	6.40	-114.38
CC1=CC(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CCCC3)S2)=CC(C)=C1	REAL300013503123	0	46	-2.0	-117.24	391.27	7.67	-109.57
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)S2)=C1	REAL300013503124	0	46	-2.0	-104.23	382.14	9.14	-95.09
CC1=CC(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CCC3)S2)=CC(C)=C1	REAL300013503125	0	43	-2.0	-115.51	373.29	6.97	-108.54
CC1=CC(C2=NN=C([N-]C(=O)NCC(CC(=O)[O-])C3CC3)S2)=CC(C)=C1	REAL300013503126	0	46	-2.0	-116.69	398.32	7.61	-109.08
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)S2)=C1	REAL300013503127	0	46	-2.0	-106.99	382.16	8.66	-98.33
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S2)=C1	REAL300013503128	0	51	-2.0	-104.68	424.72	8.21	-96.47
CC1=CC(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)=CC(C)=C1	REAL300013503129	0	40	-2.0	-113.99	358.10	6.44	-107.55
CC1=CC(C2=NN=C([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])S2)=CC(C)=C1	REAL300013503130	0	43	-2.0	-128.20	384.18	7.84	-120.36
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC(C)=CC(C)=C3)S2)C1	REAL300013503131	0	47	-2.0	-117.61	404.82	6.93	-110.68
CC1=CC(C2=NN=C([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)S2)=CC(C)=C1	REAL300013503132	0	40	-2.0	-104.08	357.89	6.17	-97.91
CC1=CC(C2=NN=C([N-]C(=O)NC3CCN(CC(=O)[O-])CC3)S2)=CC(C)=C1	REAL300013503133	0	48	-2.0	-100.62	406.31	5.24	-95.38
CC1=CC(C2=NN=C([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)S2)=CC(C)=C1	REAL300013503134	0	43	-2.0	-112.88	369.73	8.41	-104.47
CC1=CC(C2=NN=C([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)S2)=CC(C)=C1	REAL300013503135	0	43	-2.0	-112.99	370.18	8.44	-104.55
CC1=CC(C2=NN=C([N-]C(=O)NC3CC(C(=O)[O-])C3)S2)=CC(C)=C1	REAL300013503136	0	40	-2.0	-104.16	358.28	6.17	-97.99
CC1=CC(C2=NN=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)=CC(C)=C1	REAL300013503137	0	40	-2.0	-103.59	357.79	6.22	-97.37
CC1=CC(C2=NN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)=CC(C)=C1	REAL300013503138	0	43	-2.0	-108.59	390.58	7.71	-100.88
CCC(CNC(=O)[N-]C1=NN=C(C2=CC(C)=CC(C)=C2)S1)C(=O)[O-]	REAL300013503139	0	42	-2.0	-114.68	371.81	6.27	-108.41
CC1=CC(C2=NN=C([N-]C(=O)N3CCCCC3CCC(=O)[O-])S2)=CC(C)=C1	REAL300013503140	0	49	-2.0	-128.68	403.52	9.82	-118.86
CC1=CC(C2=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S2)=CC(C)=C1	REAL300013503141	0	51	-2.0	-100.47	438.81	8.73	-91.74
CC1=CC(C2=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S2)=CC(C)=C1	REAL300013503142	0	48	-2.0	-102.37	417.31	7.95	-94.42
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)S2)=C1	REAL300013503143	0	46	-2.0	-112.45	384.82	9.15	-103.30
CC1=CC(C2=NN=C([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)S2)=CC(C)=C1	REAL300013503144	0	49	-2.0	-110.42	409.85	9.85	-100.57
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)S2)=C1	REAL300013503145	0	44	-2.0	-97.49	381.64	7.09	-90.40
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)N3CC(C(=O)[O-])CCC3C)S2)=C1	REAL300013503146	0	46	-2.0	-110.39	384.94	8.97	-101.42
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)S2)=C1	REAL300013503147	0	44	-2.0	-110.55	379.14	5.95	-104.60
CC1=CC(C2=NN=C([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)S2)=CC(C)=C1	REAL300013503148	0	40	-2.0	-110.64	367.28	8.34	-102.30
CC1=CC(C2=NN=C([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)S2)=CC(C)=C1	REAL300013503149	0	41	-2.0	-107.99	368.02	6.40	-101.59
CC1=CC(C2=NN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)S2)=CC(C)=C1	REAL300013503150	0	46	-2.0	-108.07	388.77	7.83	-100.24
CC1=CC(C2=NN=C([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)S2)=CC(C)=C1	REAL300013503151	0	49	-2.0	-101.67	412.96	8.13	-93.54
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(CC(=O)[O-])CC3)S2)=CC(C)=C1	REAL300013503152	0	46	-2.0	-103.04	387.24	9.09	-93.95
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)S2)=CC(C)=C1	REAL300013503153	0	47	-2.0	-104.50	403.84	8.51	-95.99
CC1=CC(C2=NN=C([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)S2)=CC(C)=C1	REAL300013503154	0	46	-2.0	-104.54	393.20	7.39	-97.15
CC1=CC(C2=NN=C([N-]C(=O)NC3CCCC(C(=O)[O-])C3)S2)=CC(C)=C1	REAL300013503155	0	46	-2.0	-104.19	392.69	7.38	-96.81
CC1=CC(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)S2)=CC(C)=C1	REAL300013503156	0	47	-2.0	-116.81	395.15	5.97	-110.84
CC1=CC(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CCOC3)S2)=CC(C)=C1	REAL300013503157	0	44	-2.0	-111.38	379.24	5.10	-106.28
CC1=CC(C2=NN=C([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)S2)=CC(C)=C1	REAL300013503158	0	44	-2.0	-135.40	377.90	8.64	-126.76
CC1=CC(C2=NN=C([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)=CC(C)=C1	REAL300013503159	0	41	-2.0	-107.61	369.69	6.89	-100.72
CC1=CC(C2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)=CC(C)=C1	REAL300013503160	0	40	-2.0	-113.99	358.10	6.44	-107.55
CC1=CC(C2=NN=C([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)S2)=CC(C)=C1	REAL300013503161	0	47	-2.0	-107.14	397.06	9.00	-98.14
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)S2)=C1	REAL300013503162	0	44	-2.0	-110.62	377.38	7.64	-102.98
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CC(C)=CC(C)=C3)S2)C1	REAL300013503163	0	47	-2.0	-110.30	402.26	7.39	-102.91
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(C(=O)[O-])C3)S2)=CC(C)=C1	REAL300013503164	0	40	-2.0	-108.66	354.72	7.29	-101.37
CC1=CC(C2=NN=C([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)=CC(C)=C1	REAL300013503165	0	41	-2.0	-106.41	368.69	6.92	-99.49
CC1=CC(C2=NN=C([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)S2)=CC(C)=C1	REAL300013503166	0	49	-2.0	-124.92	396.97	8.78	-116.14
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S2)=C1	REAL300013503167	0	42	-2.0	-105.34	372.57	6.60	-98.74
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CC1	REAL300013503483	0	37	-2.0	-112.75	342.80	7.71	-105.04
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300013503484	0	39	-2.0	-106.45	351.92	5.78	-100.67
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CCO1	REAL300013503485	0	35	-2.0	-117.04	334.29	6.06	-110.98
CN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300013503486	0	33	-2.0	-118.94	323.63	6.70	-112.24
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CC1	REAL300013503487	0	40	-2.0	-108.06	366.95	6.85	-101.21
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300013503488	0	36	-2.0	-110.30	346.88	5.62	-104.68
O=C([O-])CCNC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300013503489	0	30	-2.0	-115.21	303.88	4.05	-111.16
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300013503490	0	39	-2.0	-107.11	368.37	6.41	-100.70
CC(O)(CNC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)C(=O)[O-]	REAL300013503491	0	34	-2.0	-112.89	331.97	2.34	-110.55
CC(C)(CNC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)C(=O)[O-]	REAL300013503492	0	36	-2.0	-116.76	339.31	5.50	-111.26
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)C1	REAL300013503493	0	37	-2.0	-113.33	346.79	7.13	-106.20
CC(CN(C)C(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)C(=O)[O-]	REAL300013503494	0	36	-2.0	-121.51	338.00	7.25	-114.26
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)C1	REAL300013503495	0	40	-2.0	-115.88	363.09	8.21	-107.67
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CC1	REAL300013503496	0	40	-2.0	-109.42	355.90	8.12	-101.30
O=C([O-])CCCNC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300013503497	0	33	-2.0	-108.67	325.38	4.84	-103.83
CC1CCN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CC1C(=O)[O-]	REAL300013503498	0	40	-2.0	-116.43	362.27	8.41	-108.02
CC(C)(CCNC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)C(=O)[O-]	REAL300013503499	0	39	-2.0	-108.38	358.08	5.72	-102.66
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CCC1	REAL300013503500	0	37	-2.0	-126.67	345.33	6.28	-120.39
CC(CNC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)C(=O)[O-]	REAL300013503501	0	33	-2.0	-115.89	322.43	4.81	-111.08
CC(C)C(CNC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)C(=O)[O-]	REAL300013503502	0	39	-2.0	-120.87	355.91	6.10	-114.77
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)C1	REAL300013503503	0	37	-2.0	-107.99	346.80	6.13	-101.86
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CCCC1	REAL300013503504	0	40	-2.0	-122.48	362.07	6.63	-115.85
CC1CN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CCC1C(=O)[O-]	REAL300013503505	0	40	-2.0	-110.02	354.70	8.36	-101.66
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CCC1	REAL300013503506	0	37	-2.0	-117.44	347.94	6.28	-111.16
O=C([O-])CC(CNC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)C1CC1	REAL300013503507	0	40	-2.0	-122.79	370.88	6.84	-115.95
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CC1	REAL300013503508	0	40	-2.0	-109.42	355.90	8.12	-101.30
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CC1	REAL300013503509	0	34	-2.0	-116.64	331.84	5.90	-110.74
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)C1	REAL300013503510	0	34	-2.0	-106.39	332.03	5.63	-100.76
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)C1	REAL300013503511	0	37	-2.0	-114.79	343.47	7.88	-106.91
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)C1	REAL300013503512	0	37	-2.0	-114.96	343.92	7.90	-107.06
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)C1	REAL300013503513	0	34	-2.0	-110.07	330.84	5.40	-104.67
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)C1	REAL300013503514	0	34	-2.0	-109.60	330.75	5.45	-104.15
CCC(CNC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)C(=O)[O-]	REAL300013503515	0	36	-2.0	-120.07	339.46	5.73	-114.34
CN(CCCC(=O)[O-])C(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300013503516	0	36	-2.0	-119.83	345.12	7.51	-112.32
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)C1	REAL300013503517	0	40	-2.0	-118.46	357.07	8.36	-110.10
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300013503518	0	40	-2.0	-113.73	359.89	8.49	-105.24
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)=C1	REAL300013503519	0	34	-2.0	-112.69	341.02	7.80	-104.89
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(C4=C(F)C=CC=C4Cl)S3)(C1)C2	REAL300013503520	0	35	-2.0	-114.00	340.59	5.63	-108.37
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CC1	REAL300013503521	0	40	-2.0	-110.36	361.19	7.24	-103.12
O=C([O-])CC1CCN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CC1	REAL300013503522	0	40	-2.0	-108.98	359.80	8.32	-100.66
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)C1	REAL300013503523	0	40	-2.0	-110.33	365.77	6.62	-103.71
O=C([O-])C1CCCC(NC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)C1	REAL300013503524	0	40	-2.0	-106.46	366.43	6.84	-99.62
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300013503525	0	38	-2.0	-137.28	351.64	8.10	-129.18
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NN=C(C3=C(F)C=CC=C3Cl)S1)C2	REAL300013503526	0	35	-2.0	-110.24	343.18	6.36	-103.88
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)CC1	REAL300013503527	0	34	-2.0	-116.64	331.84	5.90	-110.74
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3Cl)S2)C1	REAL300013503528	0	34	-2.0	-114.69	327.28	6.52	-108.17
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(C3=C(F)C=CC=C3Cl)S1)C2	REAL300013503529	0	35	-2.0	-112.36	341.56	6.14	-106.22
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300013503530	0	36	-2.0	-111.26	345.13	5.84	-105.42
CC1CN(CC2=CSC([N-]C(=O)N3CCC(C(=O)[O-])CC3)=N2)CC(C)O1	REAL300013505390	1	50	-2.0	-97.93	401.74	4.51	-93.42
CC1CN(CC2=CSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2)CC(C)O1	REAL300013505391	1	52	-2.0	-92.44	410.84	2.56	-89.88
CC1CN(CC2=CSC([N-]C(=O)N3CCOC(C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505392	1	48	-2.0	-99.31	393.35	2.88	-96.43
CC1CN(CC2=CSC([N-]C(=O)NC3CCC(C(=O)[O-])CC3)=N2)CC(C)O1	REAL300013505393	1	53	-2.0	-95.41	424.69	3.41	-92.00
CC1CN(CC2=CSC([N-]C(=O)NCCCCC(=O)[O-])=N2)CC(C)O1	REAL300013505394	1	49	-2.0	-94.42	405.80	2.40	-92.02
CC1CN(CC2=CSC([N-]C(=O)NCCC(=O)[O-])=N2)CC(C)O1	REAL300013505395	1	43	-2.0	-98.01	362.81	0.83	-97.18
CC1CN(CC2=CSC([N-]C(=O)NCCCCCC(=O)[O-])=N2)CC(C)O1	REAL300013505396	1	52	-2.0	-92.59	427.30	3.18	-89.41
CC1CN(CC2=CSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2)CC(C)O1	REAL300013505397	1	47	-2.0	-95.99	391.31	-0.83	-96.82
CC1CN(CC2=CSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2)CC(C)O1	REAL300013505398	1	49	-2.0	-98.88	397.66	2.29	-96.59
CC1CN(CC2=CSC([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505399	1	50	-2.0	-96.92	404.24	4.15	-92.77
CC(CN(C)C(=O)[N-]C1=NC(CN2CC(C)OC(C)C2)=CS1)C(=O)[O-]	REAL300013505400	1	49	-2.0	-97.67	396.63	3.81	-93.86
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(CN3CC(C)OC(C)C3)=CS2)C1	REAL300013505401	1	53	-2.0	-104.74	416.63	5.57	-99.17
CC1CN(CC2=CSC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)CC(C)O1	REAL300013505402	1	53	-2.0	-97.80	413.65	4.69	-93.11
CC1CN(CC2=CSC([N-]C(=O)NCCCC(=O)[O-])=N2)CC(C)O1	REAL300013505403	1	46	-2.0	-93.82	384.30	1.62	-92.20
CC1CN(CC2=CSC([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505404	1	53	-2.0	-101.88	412.39	4.69	-97.19
CC1CN(CC2=CSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2)CC(C)O1	REAL300013505405	1	52	-2.0	-93.96	417.01	2.50	-91.46
CCC(CC)(CNC(=O)[N-]C1=NC(CN2CC(C)OC(C)C2)=CS1)C(=O)[O-]	REAL300013505406	1	55	-2.0	-107.62	427.24	3.64	-103.98
CC1CN(CC2=CSC([N-]C(=O)NC3(CC(=O)[O-])CCC3)=N2)CC(C)O1	REAL300013505407	1	50	-2.0	-110.82	404.25	3.06	-107.76
CC(CNC(=O)[N-]C1=NC(CN2CC(C)OC(C)C2)=CS1)C(=O)[O-]	REAL300013505408	1	46	-2.0	-98.03	380.48	1.56	-96.47
CC(C)C(CNC(=O)[N-]C1=NC(CN2CC(C)OC(C)C2)=CS1)C(=O)[O-]	REAL300013505409	1	52	-2.0	-105.33	414.84	2.88	-102.45
CC1CN(CC2=CSC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505410	1	50	-2.0	-94.03	406.77	3.11	-90.92
CC1CN(CC2=CSC([N-]C(=O)NCC3(C(=O)[O-])CCCC3)=N2)CC(C)O1	REAL300013505411	1	53	-2.0	-108.72	422.76	3.68	-105.04
CC1CN(CC2=CSC([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)=N2)CC(C)O1	REAL300013505412	1	53	-2.0	-98.76	420.03	5.00	-93.76
CC1CN(CC2=CSC([N-]C(=O)NCC3(C(=O)[O-])CCC3)=N2)CC(C)O1	REAL300013505413	1	50	-2.0	-107.24	404.78	2.97	-104.27
CC1CN(CC2=CSC([N-]C(=O)NCC(CC(=O)[O-])C3CC3)=N2)CC(C)O1	REAL300013505414	1	53	-2.0	-104.76	429.81	3.62	-101.14
CC1CN(CC2=CSC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)CC(C)O1	REAL300013505415	1	53	-2.0	-97.80	413.65	4.69	-93.11
CC1CN(CC2=CSC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)CC(C)O1	REAL300013505416	1	47	-2.0	-106.91	389.94	2.57	-104.34
CC1CN(CC2=CSC([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505417	1	47	-2.0	-95.81	389.34	2.50	-93.31
CC1CN(CC2=CSC([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505418	1	50	-2.0	-100.77	397.01	4.91	-95.86
CC1CN(CC2=CSC([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505419	1	50	-2.0	-101.27	401.65	4.76	-96.51
CC1CN(CC2=CSC([N-]C(=O)NC3CC(C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505420	1	47	-2.0	-95.43	389.77	2.19	-93.24
CC1CN(CC2=CSC([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505421	1	47	-2.0	-94.89	389.20	2.55	-92.34
CCC(CNC(=O)[N-]C1=NC(CN2CC(C)OC(C)C2)=CS1)C(=O)[O-]	REAL300013505422	1	49	-2.0	-104.36	398.29	2.39	-101.97
CC1CN(CC2=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N2)CC(C)O1	REAL300013505423	1	55	-2.0	-92.96	448.80	3.97	-88.99
CC1CN(CC2=CSC([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505424	1	53	-2.0	-100.21	416.28	5.18	-95.03
CC1CN(CC2=CSC([N-]C(=O)N3CC(C(=O)[O-])CCC3C)=N2)CC(C)O1	REAL300013505425	1	53	-2.0	-104.75	416.42	5.00	-99.75
CC1CN(CC2=CSC([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505426	1	51	-2.0	-99.34	410.57	2.30	-97.04
CC1CN(CC2=CSC([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)=N2)CC(C)O1	REAL300013505427	0	47	-2.0	-99.29	398.77	4.36	-94.93
CC1CN(CC2=CSC([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)=N2)CC(C)O1	REAL300013505428	1	48	-2.0	-96.52	399.51	2.42	-94.10
CC1CN(CC2=CSC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=N2)CC(C)O1	REAL300013505429	1	53	-2.0	-101.11	420.23	4.14	-96.97
CC1CN(CC2=CSC([N-]C(=O)N3CCC(CC(=O)[O-])CC3)=N2)CC(C)O1	REAL300013505430	1	53	-2.0	-95.65	418.73	5.11	-90.54
CC1CN(CC2=CSC([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505431	1	53	-2.0	-95.75	421.16	3.89	-91.86
CC1CN(CC2=CSC([N-]C(=O)NC3CCCC(C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505432	1	53	-2.0	-96.24	420.27	3.83	-92.41
CC1CN(CC2=CSC([N-]C(=O)NCC3(C(=O)[O-])CCOC3)=N2)CC(C)O1	REAL300013505433	1	51	-2.0	-104.38	411.45	0.97	-103.41
CC1CN(CC2=CSC([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)=N2)CC(C)O1	REAL300013505434	1	51	-2.0	-122.43	409.45	4.63	-117.80
CC1CN(CC2=CSC([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)CC(C)O1	REAL300013505435	1	48	-2.0	-99.85	397.40	3.40	-96.45
CC1CN(CC2=CSC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)CC(C)O1	REAL300013505436	1	47	-2.0	-106.91	389.94	2.57	-104.34
CC1CN(CC2=CSC([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505437	1	51	-2.0	-98.98	408.84	3.66	-95.32
CC1CN(CC2=CSC([N-]C(=O)N3CCC(C(=O)[O-])C3)=N2)CC(C)O1	REAL300013505438	1	47	-2.0	-97.73	386.52	3.61	-94.12
CC1CN(CC2=CSC([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)CC(C)O1	REAL300013505439	1	48	-2.0	-96.56	400.37	3.23	-93.33
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(CN2CC(C)OC(C)C2)=CS1	REAL300013505440	1	49	-2.0	-96.48	404.06	2.63	-93.85
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2Cl)S1	REAL300013505441	1	34	-2.0	-104.55	342.51	6.26	-98.29
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2Cl)S1	REAL300013505442	1	37	-2.0	-98.19	364.01	7.06	-91.13
CC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(Cl)C=C2Cl)S1)C(=O)[O-]	REAL300013505443	1	37	-2.0	-104.76	360.06	7.00	-97.76
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC=CC(Cl)=C2Cl)S1	REAL300013505444	1	34	-2.0	-105.81	343.65	6.35	-99.46
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC=CC(Cl)=C2Cl)S1	REAL300013505445	1	37	-2.0	-100.34	365.15	7.14	-93.20
CC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(Cl)=C2Cl)S1)C(=O)[O-]	REAL300013505446	1	37	-2.0	-106.40	362.20	7.11	-99.29
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013505447	1	37	-2.0	-103.50	355.54	6.56	-96.94
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300013505448	1	40	-2.0	-97.54	377.04	7.35	-90.19
CC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(C(F)(F)F)C=C2)S1)C(=O)[O-]	REAL300013505449	1	40	-2.0	-104.15	374.08	7.31	-96.84
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(C(F)(F)F)C=C3)S2)CC1	REAL300013505450	1	41	-2.0	-109.99	382.70	8.29	-101.70
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(CC3=CC=C(C(F)(F)F)C=C3)S2)C1	REAL300013505451	1	41	-2.0	-98.93	382.52	7.91	-91.02
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3=CC=C(C(F)(F)F)C=C3)S2)C1	REAL300013505452	1	41	-2.0	-98.40	381.98	7.96	-90.44
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=C(C(F)(F)F)C=C3)S2)C1	REAL300013505453	1	41	-2.0	-98.37	382.00	7.96	-90.41
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(C(F)(F)F)C=C3)S2)CC1	REAL300013505454	1	41	-2.0	-109.99	382.70	8.29	-101.70
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(C(F)(F)F)C=C3)S2)C1	REAL300013505455	1	41	-2.0	-102.63	379.30	9.05	-93.58
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CC1	REAL300013505456	1	41	-2.0	-102.54	368.45	9.35	-93.19
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1	REAL300013505457	1	43	-2.0	-96.34	377.56	7.41	-88.93
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CCO1	REAL300013505458	1	39	-2.0	-105.77	360.02	7.71	-98.06
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1	REAL300013505459	1	37	-2.0	-107.74	349.27	8.34	-99.40
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CC1	REAL300013505460	1	44	-2.0	-101.43	391.41	8.25	-93.18
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1	REAL300013505461	1	40	-2.0	-100.18	372.52	7.25	-92.93
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1	REAL300013505462	1	34	-2.0	-104.80	329.52	5.68	-99.12
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1	REAL300013505463	1	43	-2.0	-97.21	394.02	8.03	-89.18
CC(O)(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1)C(=O)[O-]	REAL300013505464	1	38	-2.0	-102.59	357.62	3.97	-98.62
CC(C)(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1)C(=O)[O-]	REAL300013505465	1	40	-2.0	-106.14	364.38	7.15	-98.99
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)C1	REAL300013505466	1	41	-2.0	-114.16	371.01	8.73	-105.43
CC(CN(C)C(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1)C(=O)[O-]	REAL300013505467	1	40	-2.0	-103.86	362.47	8.63	-95.23
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)C1	REAL300013505468	1	44	-2.0	-105.24	388.73	9.85	-95.39
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CC1	REAL300013505469	1	44	-2.0	-102.16	380.37	9.52	-92.64
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1	REAL300013505470	1	37	-2.0	-98.65	351.02	6.47	-92.18
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CC1C(=O)[O-]	REAL300013505471	1	44	-2.0	-109.69	379.13	9.52	-100.17
CC(C)(CCNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1)C(=O)[O-]	REAL300013505472	1	43	-2.0	-98.47	383.72	7.35	-91.12
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1)C(=O)[O-]	REAL300013505473	1	46	-2.0	-112.90	396.61	8.15	-104.75
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CCC1	REAL300013505474	1	41	-2.0	-115.27	370.97	7.91	-107.36
CC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1)C(=O)[O-]	REAL300013505475	1	37	-2.0	-105.48	348.07	6.43	-99.05
CC(C)C(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1)C(=O)[O-]	REAL300013505476	1	43	-2.0	-110.74	380.55	7.76	-102.98
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)C1	REAL300013505477	1	41	-2.0	-98.02	372.44	7.75	-90.27
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CCCC1	REAL300013505478	1	44	-2.0	-113.72	389.48	8.52	-105.20
CC1CN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CCC1C(=O)[O-]	REAL300013505479	1	44	-2.0	-103.38	386.78	9.84	-93.54
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CCC1	REAL300013505480	1	41	-2.0	-111.31	371.50	7.82	-103.49
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1)C1CC1	REAL300013505481	1	44	-2.0	-111.88	396.53	8.46	-103.42
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CC1	REAL300013505482	1	44	-2.0	-102.16	380.37	9.52	-92.64
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CC1	REAL300013505483	1	38	-2.0	-111.21	356.66	7.41	-103.80
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CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1)C(=O)[O-]	REAL300013505489	1	40	-2.0	-109.14	365.01	7.24	-101.90
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CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1	REAL300013505491	1	40	-2.0	-108.17	370.77	9.14	-99.03
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CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1	REAL300013505494	1	44	-2.0	-105.64	383.14	9.84	-95.80
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O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(CC4=CC=C(F)C(F)=C4)S3)(C1)C2	REAL300013505497	1	39	-2.0	-103.18	366.23	7.26	-95.92
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O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CCOC1	REAL300013505502	1	42	-2.0	-108.42	378.17	5.80	-102.62
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O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CC1	REAL300013505505	1	38	-2.0	-111.21	356.66	7.41	-103.80
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)CCO1	REAL300013505506	1	42	-2.0	-106.22	375.58	8.51	-97.71
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(F)C(F)=C3)S2)C1	REAL300013505507	1	38	-2.0	-104.30	352.90	8.17	-96.13
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CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1	REAL300013505509	1	40	-2.0	-100.95	370.78	7.47	-93.48
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])CC3)S2)C=C1Cl	REAL300013505510	1	44	-2.0	-102.54	391.20	10.32	-92.22
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S2)C=C1Cl	REAL300013505511	1	46	-2.0	-96.45	400.31	8.39	-88.06
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCOC(C(=O)[O-])C3)S2)C=C1Cl	REAL300013505512	1	42	-2.0	-106.74	382.78	8.68	-98.06
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)CCC(=O)[O-])S2)C=C1Cl	REAL300013505513	1	40	-2.0	-108.06	372.02	9.32	-98.74
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCCC(=O)[O-])S2)C=C1Cl	REAL300013505514	1	43	-2.0	-100.23	395.27	8.24	-91.99
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCC(=O)[O-])S2)C=C1Cl	REAL300013505515	1	37	-2.0	-104.98	352.28	6.65	-98.33
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCCCC(=O)[O-])S2)C=C1Cl	REAL300013505516	1	46	-2.0	-97.26	416.77	9.02	-88.24
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S2)C=C1Cl	REAL300013505517	1	41	-2.0	-102.74	380.37	4.95	-97.79
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S2)C=C1Cl	REAL300013505518	1	43	-2.0	-106.52	387.71	8.12	-98.40
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)S2)C=C1Cl	REAL300013505519	1	44	-2.0	-102.77	393.75	9.68	-93.09
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S2)C=C1Cl	REAL300013505520	1	43	-2.0	-104.35	386.10	9.64	-94.71
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCC(=O)[O-])S2)C=C1Cl	REAL300013505521	1	40	-2.0	-98.76	373.77	7.46	-91.30
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S2)C=C1Cl	REAL300013505522	1	46	-2.0	-98.61	407.06	8.34	-90.27
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(CC(=O)[O-])CCC3)S2)C=C1Cl	REAL300013505523	1	44	-2.0	-115.71	393.72	8.89	-106.82
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(C)C(=O)[O-])S2)C=C1Cl	REAL300013505524	1	40	-2.0	-105.21	369.94	7.40	-97.81
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S2)C=C1Cl	REAL300013505525	1	46	-2.0	-112.27	409.56	8.60	-103.67
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)S2)C=C1Cl	REAL300013505526	1	44	-2.0	-98.10	395.20	8.73	-89.37
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCC3)S2)C=C1Cl	REAL300013505527	1	44	-2.0	-111.78	394.25	8.81	-102.97
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1Cl	REAL300013505528	1	41	-2.0	-110.94	379.41	8.38	-102.56
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)S2)C=C1Cl	REAL300013505529	1	41	-2.0	-99.98	378.86	8.00	-91.98
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)S2)C=C1Cl	REAL300013505530	1	44	-2.0	-107.55	390.69	10.27	-97.28
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)S2)C=C1Cl	REAL300013505531	1	44	-2.0	-108.58	391.14	10.28	-98.30
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3CC(C(=O)[O-])C3)S2)C=C1Cl	REAL300013505532	1	41	-2.0	-100.13	379.24	8.01	-92.12
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)C=C1Cl	REAL300013505533	1	41	-2.0	-99.65	378.78	8.06	-91.59
CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(Cl)=C2)S1)C(=O)[O-]	REAL300013505534	1	43	-2.0	-109.72	387.76	8.23	-101.49
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)CCCC(=O)[O-])S2)C=C1Cl	REAL300013505535	1	43	-2.0	-108.69	393.51	10.13	-98.56
CC1=CC=C(CC2=CN=C([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)S2)C=C1Cl	REAL300013505536	1	42	-2.0	-103.36	388.98	8.24	-95.12
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1Cl	REAL300013505537	1	42	-2.0	-104.05	390.65	8.73	-95.32
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1Cl	REAL300013505538	1	41	-2.0	-110.94	379.41	8.38	-102.56
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])C3)S2)C=C1Cl	REAL300013505539	1	41	-2.0	-104.49	375.65	9.15	-95.34
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1Cl	REAL300013505540	1	42	-2.0	-101.58	389.66	8.75	-92.83
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C)CCC(=O)[O-])S2)C=C1Cl	REAL300013505541	1	43	-2.0	-101.04	393.53	8.45	-92.59
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])CC3)S2)C=C1	REAL300013505542	1	42	-2.0	-102.79	376.59	9.60	-93.19
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)S2)C=C1	REAL300013505543	0	42	-2.0	-99.48	393.26	9.47	-90.01
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)S2)C=C1	REAL300013505544	1	42	-2.0	-96.86	396.93	8.86	-88.00
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1	REAL300013505545	1	44	-2.0	-96.59	385.73	7.68	-88.91
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCOC(C(=O)[O-])C3)S2)C=C1	REAL300013505546	1	40	-2.0	-106.53	368.17	7.98	-98.55
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1	REAL300013505547	1	38	-2.0	-107.54	357.39	8.61	-98.93
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NC3CCC(C(=O)[O-])CC3)S2)C=C1	REAL300013505548	1	45	-2.0	-101.28	399.57	8.53	-92.75
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCCC(=O)[O-])S2)C=C1	REAL300013505549	1	41	-2.0	-100.19	380.67	7.52	-92.67
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)C=C1	REAL300013505550	1	42	-2.0	-105.05	396.93	8.85	-96.20
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCCC(=O)[O-])S2)C=C1	REAL300013505551	1	35	-2.0	-104.89	337.67	5.95	-98.94
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCCCC(=O)[O-])S2)C=C1	REAL300013505552	1	44	-2.0	-97.41	402.16	8.31	-89.10
CC(O)(CNC(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013505553	1	39	-2.0	-102.68	365.78	4.24	-98.44
CC(C)(CNC(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013505554	1	41	-2.0	-106.25	373.12	7.40	-98.85
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(C#N)C=C3)S2)C1	REAL300013505555	1	42	-2.0	-114.19	379.17	9.00	-105.19
CC(CN(C)C(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013505556	1	41	-2.0	-103.68	370.61	8.90	-94.78
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=C(C#N)C=C3)S2)C1	REAL300013505557	1	45	-2.0	-105.82	392.23	10.38	-95.44
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(C#N)C=C3)S2)CC1	REAL300013505558	1	45	-2.0	-102.53	388.53	9.80	-92.73
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCC(=O)[O-])S2)C=C1	REAL300013505559	1	38	-2.0	-98.92	359.17	6.74	-92.18
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(C#N)C=C3)S2)CC1C(=O)[O-]	REAL300013505560	1	45	-2.0	-109.40	387.28	9.80	-99.60
CC(C)(CCNC(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013505561	1	44	-2.0	-98.81	392.46	7.63	-91.18
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013505562	1	47	-2.0	-112.37	402.12	8.76	-103.61
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(CC(=O)[O-])CCC3)S2)C=C1	REAL300013505563	1	42	-2.0	-115.48	379.11	8.18	-107.30
CC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013505564	1	38	-2.0	-105.46	356.23	6.70	-98.76
CC(C)C(CNC(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013505565	1	44	-2.0	-112.48	394.97	7.89	-104.59
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013505566	1	42	-2.0	-98.32	380.58	8.02	-90.30
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)S2)C=C1	REAL300013505567	1	48	-2.0	-99.34	415.90	11.00	-88.34
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)S2)C=C1	REAL300013505568	1	44	-2.0	-103.22	392.29	7.63	-95.59
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCCC3)S2)C=C1	REAL300013505569	1	45	-2.0	-113.67	397.62	8.80	-104.87
CC1CN(C(=O)[N-]C2=NC=C(CC3=CC=C(C#N)C=C3)S2)CCC1C(=O)[O-]	REAL300013505570	1	45	-2.0	-103.50	394.94	10.11	-93.39
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCC3)S2)C=C1	REAL300013505571	1	42	-2.0	-111.92	379.65	8.10	-103.82
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(CC(=O)[O-])C3CC3)S2)C=C1	REAL300013505572	1	45	-2.0	-111.78	404.68	8.74	-103.04
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(C#N)C=C3)S2)CC1	REAL300013505573	1	45	-2.0	-102.53	388.53	9.80	-92.73
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1	REAL300013505574	1	39	-2.0	-111.21	364.81	7.68	-103.53
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])S2)C=C1	REAL300013505575	1	42	-2.0	-123.77	390.53	8.97	-114.80
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013505576	1	39	-2.0	-100.35	364.64	7.30	-93.05
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013505578	1	42	-2.0	-107.92	375.39	9.54	-98.38
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)S2)C=C1	REAL300013505579	1	42	-2.0	-108.28	376.53	9.59	-98.69
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NC3CC(C(=O)[O-])C3)S2)C=C1	REAL300013505580	1	39	-2.0	-100.41	364.63	7.30	-93.11
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)C=C1	REAL300013505581	1	39	-2.0	-99.49	364.46	7.34	-92.15
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)C=C1	REAL300013505582	1	42	-2.0	-105.05	396.93	8.85	-96.20
CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1)C(=O)[O-]	REAL300013505583	1	41	-2.0	-109.60	373.17	7.51	-102.09
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCCC3CCC(=O)[O-])S2)C=C1	REAL300013505584	1	48	-2.0	-120.21	409.87	10.96	-109.25
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S2)C=C1	REAL300013505585	1	47	-2.0	-98.17	423.66	9.09	-89.08
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1	REAL300013505586	1	41	-2.0	-108.08	378.89	9.42	-98.66
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3=CC=C(C#N)C=C3)S2)C1	REAL300013505587	1	45	-2.0	-107.45	391.16	10.28	-97.17
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1	REAL300013505588	1	45	-2.0	-108.62	410.62	8.77	-99.85
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)S2)C=C1	REAL300013505589	1	48	-2.0	-105.01	416.19	10.98	-94.03
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)S2)C=C1	REAL300013505590	1	43	-2.0	-93.66	387.99	8.22	-85.44
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1	REAL300013505591	1	45	-2.0	-106.62	391.31	10.11	-96.51
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)S2)C=C1	REAL300013505592	1	43	-2.0	-105.82	385.42	7.10	-98.72
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)S2)C=C1	REAL300013505593	0	39	-2.0	-105.57	373.63	9.46	-96.11
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)S2)C=C1	REAL300013505594	1	40	-2.0	-102.95	374.38	7.53	-95.42
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)S2)C=C1	REAL300013505595	1	45	-2.0	-103.92	395.14	8.96	-94.96
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NC[C@@H]3CC[C@@H](C(=O)[O-])CC3)S2)C=C1	REAL300013505596	1	48	-2.0	-97.30	417.99	9.23	-88.07
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(CC(=O)[O-])CC3)S2)C=C1	REAL300013505597	1	45	-2.0	-99.26	393.58	10.22	-89.04
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013505598	1	45	-2.0	-100.68	399.56	8.52	-92.16
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NC3CCCC(C(=O)[O-])C3)S2)C=C1	REAL300013505599	1	45	-2.0	-100.28	395.13	8.94	-91.34
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCOC3)S2)C=C1	REAL300013505600	1	43	-2.0	-108.93	386.31	6.08	-102.85
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)S2)C=C1	REAL300013505601	1	43	-2.0	-128.65	384.26	9.77	-118.88
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1	REAL300013505602	1	40	-2.0	-104.32	375.79	8.03	-96.29
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1	REAL300013505603	1	39	-2.0	-111.21	364.81	7.68	-103.53
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)S2)C=C1	REAL300013505604	1	46	-2.0	-103.88	403.35	10.14	-93.74
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=C(C#N)C=C3)S2)CCO1	REAL300013505605	1	43	-2.0	-106.06	383.74	8.78	-97.28
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])C3)S2)C=C1	REAL300013505606	1	39	-2.0	-104.43	361.05	8.44	-95.99
N#CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1	REAL300013505607	1	40	-2.0	-102.12	375.35	8.04	-94.08
N#CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)S2)C=C1	REAL300013505608	1	48	-2.0	-119.31	403.33	9.93	-109.38
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=C(C#N)C=C2)S1	REAL300013505609	1	41	-2.0	-101.42	378.95	7.74	-93.68
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC=C(OC(F)(F)F)C=C2)S1	REAL300013505610	1	38	-2.0	-104.01	362.81	5.35	-98.66
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505611	0	30	-2.0	-93.17	288.81	4.56	-88.61
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)=C1	REAL300013505612	0	30	-2.0	-89.92	305.48	4.43	-85.49
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NN=C(C(F)(F)F)S2)C=C1	REAL300013505613	0	30	-2.0	-88.17	309.14	3.82	-84.35
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C(F)(F)F)S1	REAL300013505614	0	32	-2.0	-87.56	297.91	2.64	-84.92
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CCO1	REAL300013505615	0	28	-2.0	-96.95	280.38	2.93	-94.02
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505616	0	33	-2.0	-92.88	311.78	3.47	-89.41
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(C(F)(F)F)S1	REAL300013505617	0	29	-2.0	-91.41	292.87	2.48	-88.93
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C(F)(F)F)S2)=CC=C1	REAL300013505618	0	30	-2.0	-95.25	309.14	3.80	-91.45
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(C(F)(F)F)S1	REAL300013505619	0	32	-2.0	-88.79	314.37	3.26	-85.53
CC(O)(CNC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013505620	0	27	-2.0	-92.38	278.39	-0.75	-93.13
CC(C)(CNC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013505621	0	29	-2.0	-96.22	285.32	2.36	-93.86
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)=C1	REAL300013505622	0	33	-2.0	-87.36	326.87	5.24	-82.12
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505623	0	30	-2.0	-94.35	293.35	3.89	-90.46
CC(CN(C)C(=O)[N-]C1=NN=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013505624	0	29	-2.0	-94.83	282.83	3.84	-90.99
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505625	0	33	-2.0	-94.59	303.77	5.32	-89.27
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505626	0	33	-2.0	-93.23	300.73	4.75	-88.48
CC1CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1C(=O)[O-]	REAL300013505627	0	33	-2.0	-100.04	307.10	5.03	-95.01
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CCOCC1	REAL300013505628	0	34	-2.0	-97.13	312.46	1.69	-95.44
CC(C)(CCNC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013505629	0	32	-2.0	-89.15	304.08	2.57	-86.58
CCC(CC)(CNC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013505630	0	35	-2.0	-101.14	316.97	3.38	-97.76
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CCC1	REAL300013505631	0	30	-2.0	-104.16	291.32	3.15	-101.01
CC(C)C(CNC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013505632	0	32	-2.0	-99.18	300.91	2.99	-96.19
CC(NC(=O)[N-]C1=NN=C(C(F)(F)F)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013505633	0	39	-2.0	-98.26	346.80	4.83	-93.43
CC(CNC(=O)[N-]C1=NN=C(C(F)(F)F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013505634	0	36	-2.0	-101.76	334.87	5.26	-96.50
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505635	0	30	-2.0	-88.68	292.80	2.99	-85.69
O=C([O-])CCC1CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505636	0	36	-2.0	-90.59	328.12	5.95	-84.64
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NN=C(C(F)(F)F)S1)C2	REAL300013505637	0	32	-2.0	-93.18	304.51	2.59	-90.59
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CCCC1	REAL300013505638	0	33	-2.0	-100.30	308.07	3.49	-96.81
CC1CN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CCC1C(=O)[O-]	REAL300013505639	0	33	-2.0	-90.63	300.70	5.22	-85.41
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CCC1	REAL300013505640	0	30	-2.0	-99.05	292.76	2.91	-96.14
O=C([O-])CC(CNC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C1CC1	REAL300013505641	0	33	-2.0	-101.62	316.89	3.70	-97.92
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505642	0	33	-2.0	-93.23	300.73	4.75	-88.48
CC(C)C[C@H](CNC(=O)[N-]C1=NN=C(C(F)(F)F)S1)CC(=O)[O-]	REAL300013505643	0	38	-2.0	-90.71	343.29	4.30	-86.41
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505644	0	27	-2.0	-98.82	277.02	2.65	-96.17
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NN=C(C(F)(F)F)S1	REAL300013505645	0	30	-2.0	-111.67	302.78	3.91	-107.76
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505646	0	34	-2.0	-105.24	324.95	3.01	-102.23
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505647	0	27	-2.0	-90.37	276.81	2.26	-88.11
O=C([O-])CN1CCC(NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505648	0	35	-2.0	-87.77	324.88	1.33	-86.44
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505649	0	30	-2.0	-98.43	288.29	4.50	-93.93
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505650	0	30	-2.0	-98.62	288.74	4.53	-94.09
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505651	0	27	-2.0	-90.43	276.84	2.27	-88.16
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505652	0	27	-2.0	-90.06	276.66	2.31	-87.75
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C(F)(F)F)S2)=CC=C1	REAL300013505653	0	30	-2.0	-95.25	309.14	3.80	-91.45
CCC(CNC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013505654	0	29	-2.0	-99.24	290.38	2.36	-96.88
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NN=C(C(F)(F)F)S1	REAL300013505655	0	36	-2.0	-112.93	322.09	5.91	-107.02
O=C([O-])CCCCCCCNC(=O)[N-]C1=NN=C(C(F)(F)F)S1	REAL300013505656	0	38	-2.0	-88.18	357.37	4.82	-83.36
O=C([O-])CCCCCCNC(=O)[N-]C1=NN=C(C(F)(F)F)S1	REAL300013505657	0	35	-2.0	-89.94	335.87	4.04	-85.90
CN(CCCC(=O)[O-])C(=O)[N-]C1=NN=C(C(F)(F)F)S1	REAL300013505658	0	29	-2.0	-99.62	291.12	4.36	-95.26
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505659	0	33	-2.0	-98.17	303.38	5.23	-92.94
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505660	0	37	-2.0	-102.42	335.38	4.40	-98.02
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C(F)(F)F)S1	REAL300013505661	0	33	-2.0	-97.33	322.81	3.72	-93.61
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505662	0	36	-2.0	-96.68	328.45	5.93	-90.75
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC2=CC=CC=C21	REAL300013505663	0	34	-2.0	-117.23	321.03	7.11	-110.12
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505664	0	31	-2.0	-84.46	300.20	3.17	-81.29
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(C(F)(F)F)S1	REAL300013505665	0	33	-2.0	-95.33	303.50	5.07	-90.26
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C[C@H]1C1=CC=CC=C1	REAL300013505666	0	37	-2.0	-109.95	350.21	6.92	-103.03
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505667	0	31	-2.0	-96.27	297.64	2.05	-94.22
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)C2=CC=CC=C21	REAL300013505668	0	34	-2.0	-90.95	327.34	4.80	-86.15
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1=O	REAL300013505669	0	37	-2.0	-124.35	337.44	4.01	-120.34
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)=C1	REAL300013505670	0	27	-2.0	-96.48	285.84	4.42	-92.06
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505671	0	37	-2.0	-95.72	331.69	4.66	-91.06
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(C(F)(F)F)S3)(C1)C2	REAL300013505672	0	28	-2.0	-94.39	286.67	2.50	-91.89
O=C([O-])CC1(CNC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CCCCC1	REAL300013505673	0	39	-2.0	-105.78	332.63	4.50	-101.28
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505674	0	33	-2.0	-93.83	306.03	3.87	-89.96
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505675	0	36	-2.0	-88.51	330.21	4.19	-84.32
O=C([O-])CC1CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505676	0	33	-2.0	-89.53	305.80	5.17	-84.36
O=C([O-])COC1CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505677	0	34	-2.0	-91.73	322.40	4.59	-87.14
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505678	0	33	-2.0	-90.97	311.77	3.48	-87.49
O=C([O-])C1CCCC(NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505679	0	33	-2.0	-90.19	306.81	3.90	-86.29
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CCCOC1	REAL300013505680	0	34	-2.0	-100.76	313.72	2.07	-98.69
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CCOC1	REAL300013505681	0	31	-2.0	-97.45	298.52	1.04	-96.41
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NN=C(C(F)(F)F)S1	REAL300013505682	0	31	-2.0	-92.97	292.59	4.64	-88.33
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C2	REAL300013505683	0	28	-2.0	-93.64	288.25	2.98	-90.66
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC1	REAL300013505684	0	27	-2.0	-98.82	277.02	2.65	-96.17
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CC12CCC2	REAL300013505685	0	34	-2.0	-92.60	315.61	5.10	-87.50
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505686	0	30	-2.0	-98.29	308.40	4.17	-94.12
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)CCO1	REAL300013505687	0	31	-2.0	-96.64	295.94	3.74	-92.90
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505688	0	34	-2.0	-96.09	320.82	3.48	-92.61
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NN=C(C(F)(F)F)S3)=CC=C21	REAL300013505689	0	34	-2.0	-95.70	338.74	5.92	-89.78
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C(F)(F)F)S2)C1	REAL300013505690	0	27	-2.0	-94.28	273.29	3.38	-90.90
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C2	REAL300013505691	0	28	-2.0	-92.85	287.26	3.01	-89.84
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C(F)(F)F)S2)CCCCC1	REAL300013505692	0	36	-2.0	-108.16	315.53	4.89	-103.27
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C(F)(F)F)S1	REAL300013505693	0	29	-2.0	-91.37	291.13	2.69	-88.68
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)CC1	REAL300013505694	1	41	-2.0	-100.24	368.04	8.95	-91.29
O=C([O-])CCCCNC(=O)[N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300013505695	1	40	-2.0	-96.74	372.10	6.87	-89.87
O=C([O-])CCNC(=O)[N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300013505696	1	34	-2.0	-100.35	329.11	5.29	-95.06
CC(O)(CNC(=O)[N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1)C(=O)[O-]	REAL300013505697	1	38	-2.0	-98.40	357.61	3.65	-94.75
CC(C)(CNC(=O)[N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1)C(=O)[O-]	REAL300013505698	1	40	-2.0	-101.30	364.54	6.75	-94.55
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)C1	REAL300013505699	1	41	-2.0	-98.84	370.59	8.29	-90.55
CC(CN(C)C(=O)[N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1)C(=O)[O-]	REAL300013505700	1	40	-2.0	-104.70	363.17	8.50	-96.20
O=C([O-])CCCNC(=O)[N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300013505701	1	37	-2.0	-96.32	350.61	6.08	-90.24
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)CCC1	REAL300013505702	1	41	-2.0	-112.85	370.83	7.39	-105.46
CC(CNC(=O)[N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1)C(=O)[O-]	REAL300013505703	1	37	-2.0	-100.39	346.77	6.03	-94.36
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)C1	REAL300013505704	1	41	-2.0	-96.25	371.64	7.35	-88.90
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)CCC1	REAL300013505705	1	41	-2.0	-109.80	371.08	7.44	-102.36
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)CC1	REAL300013505706	1	38	-2.0	-109.67	356.25	7.02	-102.65
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)C1	REAL300013505707	1	38	-2.0	-97.82	356.05	6.64	-91.18
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)C1	REAL300013505708	1	41	-2.0	-102.73	366.83	8.86	-93.87
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)C1	REAL300013505709	1	41	-2.0	-102.91	367.97	8.91	-94.00
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)C1	REAL300013505710	1	38	-2.0	-96.91	355.55	6.69	-90.22
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)C1	REAL300013505711	1	38	-2.0	-96.92	355.17	6.68	-90.24
CCC(CNC(=O)[N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1)C(=O)[O-]	REAL300013505712	1	40	-2.0	-108.71	369.60	6.75	-101.96
O=C([O-])C12CC(NC(=O)[N-]C3=NC(C4=CC=CC(C(F)(F)F)=C4)=CS3)(C1)C2	REAL300013505713	1	39	-2.0	-98.64	365.81	6.87	-91.77
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC(C3=CC=CC(C(F)(F)F)=C3)=CS1)C2	REAL300013505714	1	39	-2.0	-102.33	367.09	7.34	-94.99
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)CC1	REAL300013505715	1	38	-2.0	-109.67	356.25	7.02	-102.65
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3=CC=CC(C(F)(F)F)=C3)=CS2)C1	REAL300013505716	1	38	-2.0	-100.01	352.49	7.76	-92.25
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC(C3=CC=CC(C(F)(F)F)=C3)=CS1)C2	REAL300013505717	1	39	-2.0	-98.61	366.10	7.37	-91.24
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300013505718	1	40	-2.0	-99.30	370.36	7.08	-92.22
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])CC3)S2)C=C1F	REAL300013505719	1	44	-2.0	-103.14	382.46	9.92	-93.22
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)S2)C=C1F	REAL300013505720	0	44	-2.0	-99.82	399.13	9.78	-90.04
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)S2)C=C1F	REAL300013505721	1	44	-2.0	-97.07	402.79	9.17	-87.90
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S2)C=C1F	REAL300013505722	1	46	-2.0	-97.09	391.57	8.00	-89.09
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCOC(C(=O)[O-])C3)S2)C=C1F	REAL300013505723	1	42	-2.0	-107.47	374.04	8.29	-99.18
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)CCC(=O)[O-])S2)C=C1F	REAL300013505724	1	40	-2.0	-108.76	363.28	8.93	-99.83
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3CCC(C(=O)[O-])CC3)S2)C=C1F	REAL300013505725	1	47	-2.0	-102.23	405.42	8.84	-93.39
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCCC(=O)[O-])S2)C=C1F	REAL300013505726	1	43	-2.0	-100.92	386.53	7.84	-93.08
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)C=C1F	REAL300013505727	1	44	-2.0	-105.23	402.80	9.16	-96.07
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCC(=O)[O-])S2)C=C1F	REAL300013505728	1	37	-2.0	-105.69	343.53	6.26	-99.43
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCCCC(=O)[O-])S2)C=C1F	REAL300013505729	1	46	-2.0	-97.89	408.03	8.62	-89.27
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S2)C=C1F	REAL300013505730	1	41	-2.0	-103.39	371.63	4.55	-98.84
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S2)C=C1F	REAL300013505731	1	43	-2.0	-107.17	378.97	7.72	-99.45
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)S2)C=C1F	REAL300013505732	1	44	-2.0	-103.40	385.01	9.29	-94.11
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S2)C=C1F	REAL300013505733	1	43	-2.0	-104.87	376.48	9.21	-95.66
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)S2)C=C1F	REAL300013505734	1	47	-2.0	-106.24	402.77	10.44	-95.80
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)S2)C=C1F	REAL300013505735	1	47	-2.0	-103.16	394.38	10.11	-93.05
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCC(=O)[O-])S2)C=C1F	REAL300013505736	1	40	-2.0	-99.36	365.03	7.06	-92.30
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)S2)C=C1F	REAL300013505737	1	47	-2.0	-110.52	393.14	10.11	-100.41
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S2)C=C1F	REAL300013505738	1	46	-2.0	-99.22	398.32	7.94	-91.28
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013505739	1	49	-2.0	-112.80	407.97	9.07	-103.73
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(CC(=O)[O-])CCC3)S2)C=C1F	REAL300013505740	1	44	-2.0	-116.30	384.98	8.50	-107.80
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(C)C(=O)[O-])S2)C=C1F	REAL300013505741	1	40	-2.0	-106.25	362.08	7.02	-99.23
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S2)C=C1F	REAL300013505742	1	46	-2.0	-111.62	394.56	8.35	-103.27
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)S2)C=C1F	REAL300013505743	1	44	-2.0	-98.67	386.46	8.34	-90.33
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCCC3)S2)C=C1F	REAL300013505744	1	47	-2.0	-114.07	403.49	9.11	-104.96
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)S2)C=C1F	REAL300013505745	1	47	-2.0	-103.77	400.79	10.43	-93.34
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCC3)S2)C=C1F	REAL300013505746	1	44	-2.0	-112.24	385.51	8.41	-103.83
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(CC(=O)[O-])C3CC3)S2)C=C1F	REAL300013505747	1	47	-2.0	-112.98	410.54	9.05	-103.93
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)S2)C=C1F	REAL300013505748	1	47	-2.0	-103.16	394.38	10.11	-93.05
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1F	REAL300013505749	1	41	-2.0	-111.39	370.67	8.00	-103.39
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])S2)C=C1F	REAL300013505750	1	44	-2.0	-124.60	396.40	9.28	-115.32
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)S2)C=C1F	REAL300013505751	1	41	-2.0	-100.56	370.11	7.62	-92.94
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)S2)C=C1F	REAL300013505752	1	44	-2.0	-107.90	381.95	9.87	-98.03
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)S2)C=C1F	REAL300013505753	1	44	-2.0	-109.23	382.41	9.90	-99.33
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3CC(C(=O)[O-])C3)S2)C=C1F	REAL300013505754	1	41	-2.0	-100.70	370.50	7.62	-93.08
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)C=C1F	REAL300013505755	1	41	-2.0	-100.23	370.04	7.67	-92.56
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)C=C1F	REAL300013505756	1	44	-2.0	-105.23	402.80	9.16	-96.07
CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1)C(=O)[O-]	REAL300013505757	1	43	-2.0	-111.32	384.03	7.72	-103.60
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S2)C=C1F	REAL300013505758	1	49	-2.0	-98.85	429.53	9.40	-89.45
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)CCCC(=O)[O-])S2)C=C1F	REAL300013505759	1	43	-2.0	-109.36	384.78	9.73	-99.63
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)S2)C=C1F	REAL300013505760	1	47	-2.0	-108.62	397.03	10.58	-98.04
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C)C(F)=C2)S1	REAL300013505761	1	47	-2.0	-108.52	416.46	9.09	-99.43
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC(C(=O)[O-])CCC3C)S2)C=C1F	REAL300013505762	1	47	-2.0	-106.69	397.15	10.43	-96.26
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)S2)C=C1F	REAL300013505763	1	45	-2.0	-106.74	391.30	7.41	-99.33
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)S2)C=C1F	REAL300013505764	0	41	-2.0	-106.68	379.50	9.77	-96.91
CC1=CC=C(CC2=CN=C([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)S2)C=C1F	REAL300013505765	1	42	-2.0	-104.03	380.24	7.85	-96.18
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)S2)C=C1F	REAL300013505766	1	47	-2.0	-104.88	399.68	9.21	-95.67
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(CC(=O)[O-])CC3)S2)C=C1F	REAL300013505767	1	47	-2.0	-99.43	399.45	10.53	-88.90
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)S2)C=C1F	REAL300013505768	1	47	-2.0	-101.08	405.42	8.83	-92.25
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3CCCC(C(=O)[O-])C3)S2)C=C1F	REAL300013505769	1	47	-2.0	-100.60	400.99	9.26	-91.34
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCOC3)S2)C=C1F	REAL300013505770	1	45	-2.0	-109.53	392.18	6.39	-103.14
CC1=CC=C(CC2=CN=C([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)S2)C=C1F	REAL300013505771	1	45	-2.0	-130.48	390.12	10.08	-120.40
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1F	REAL300013505772	1	42	-2.0	-104.63	381.91	8.33	-96.30
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1F	REAL300013505773	1	41	-2.0	-111.39	370.67	8.00	-103.39
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)S2)C=C1F	REAL300013505774	1	45	-2.0	-106.97	389.59	9.09	-97.88
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])C3)S2)C=C1F	REAL300013505775	1	41	-2.0	-105.17	366.91	8.76	-96.41
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1F	REAL300013505776	1	42	-2.0	-102.10	380.92	8.36	-93.74
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C)CCC(=O)[O-])S2)C=C1F	REAL300013505777	1	43	-2.0	-101.69	384.79	8.06	-93.63
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013505778	1	41	-2.0	-102.71	362.15	9.29	-93.42
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)=C1	REAL300013505779	0	41	-2.0	-99.35	378.82	9.14	-90.21
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C=C1	REAL300013505780	1	41	-2.0	-96.65	382.48	8.53	-88.12
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505781	1	43	-2.0	-96.67	371.26	7.36	-89.31
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCO1	REAL300013505782	1	39	-2.0	-106.97	353.72	7.65	-99.32
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505783	1	37	-2.0	-108.29	342.97	8.29	-100.00
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013505784	1	44	-2.0	-101.73	385.11	8.19	-93.54
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505785	1	40	-2.0	-100.51	366.22	7.20	-93.31
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)=CC=C1	REAL300013505786	1	41	-2.0	-104.78	382.49	8.52	-96.26
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505787	1	34	-2.0	-105.18	323.22	5.62	-99.56
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505788	1	43	-2.0	-97.48	387.72	7.98	-89.50
CC(O)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013505789	1	38	-2.0	-102.92	351.32	3.92	-99.00
CC(C)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013505790	1	40	-2.0	-106.63	358.66	7.08	-99.55
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)=C1	REAL300013505791	0	44	-2.0	-95.98	400.22	9.95	-86.03
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505792	1	41	-2.0	-103.00	364.70	8.65	-94.35
CC(CN(C)C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013505793	1	40	-2.0	-104.35	356.17	8.57	-95.78
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505794	1	44	-2.0	-105.35	377.79	10.06	-95.29
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013505795	1	44	-2.0	-102.78	374.07	9.48	-93.30
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505796	1	37	-2.0	-98.89	344.72	6.42	-92.47
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1C(=O)[O-]	REAL300013505797	1	44	-2.0	-110.29	380.44	9.76	-100.53
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCOCC1	REAL300013505798	1	45	-2.0	-110.90	384.81	6.58	-104.32
CC(C)(CCNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013505799	1	43	-2.0	-98.78	378.00	7.30	-91.48
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013505800	1	46	-2.0	-113.17	390.32	8.10	-105.07
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCC1	REAL300013505801	1	41	-2.0	-115.69	364.67	7.86	-107.83
CC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013505802	1	37	-2.0	-105.69	342.58	6.41	-99.28
CC(C)C(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013505803	1	43	-2.0	-112.35	380.51	7.57	-104.78
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505804	1	41	-2.0	-98.29	366.14	7.70	-90.59
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013505805	1	47	-2.0	-99.19	401.46	10.68	-88.51
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC=C(CC3=CC=CC(F)=C3)S1)C2	REAL300013505806	1	43	-2.0	-102.75	377.84	7.30	-95.45
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCCC1	REAL300013505807	1	44	-2.0	-112.44	381.41	8.20	-104.24
CC1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCC1C(=O)[O-]	REAL300013505808	1	44	-2.0	-103.31	380.48	9.78	-93.53
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCC1	REAL300013505809	1	41	-2.0	-111.61	365.20	7.77	-103.84
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C1CC1	REAL300013505810	1	44	-2.0	-112.50	390.23	8.41	-104.09
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013505811	1	44	-2.0	-102.78	374.07	9.48	-93.30
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)CC(=O)[O-]	REAL300013505812	1	49	-2.0	-100.82	416.63	9.02	-91.80
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013505813	1	38	-2.0	-110.78	350.36	7.36	-103.42
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505814	1	41	-2.0	-123.99	376.09	8.64	-115.35
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505815	1	45	-2.0	-116.49	398.29	7.72	-108.77
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505816	1	38	-2.0	-100.16	349.80	6.98	-93.18
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505818	1	41	-2.0	-107.53	361.63	9.23	-98.30
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505819	1	41	-2.0	-107.69	362.09	9.25	-98.44
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505820	1	38	-2.0	-100.28	350.19	6.97	-93.31
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505821	1	38	-2.0	-99.82	349.73	7.03	-92.79
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)=CC=C1	REAL300013505822	1	41	-2.0	-104.78	382.49	8.52	-96.26
CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013505823	1	40	-2.0	-109.68	358.71	7.19	-102.49
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505824	1	47	-2.0	-122.32	394.81	10.60	-111.72
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505825	1	49	-2.0	-96.61	430.71	9.54	-87.07
O=C([O-])CCCCCCNC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505826	1	46	-2.0	-98.40	409.22	8.76	-89.64
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505827	1	40	-2.0	-108.91	364.46	9.09	-99.82
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505828	1	44	-2.0	-108.08	376.72	9.95	-98.13
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505829	1	44	-2.0	-108.11	396.15	8.45	-99.66
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505830	1	47	-2.0	-105.82	401.75	10.65	-95.17
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013505831	1	42	-2.0	-93.56	373.55	7.89	-85.67
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505832	1	44	-2.0	-106.20	376.84	9.79	-96.41
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505833	1	42	-2.0	-106.24	371.05	6.78	-99.46
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)=C1	REAL300013505834	0	38	-2.0	-106.25	359.19	9.14	-97.11
O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(CC4=CC=CC(F)=C4)S3)(C1)C2	REAL300013505835	1	39	-2.0	-103.48	359.93	7.21	-96.27
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013505836	1	44	-2.0	-104.31	379.36	8.58	-95.73
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013505837	1	47	-2.0	-97.15	403.55	8.90	-88.25
O=C([O-])CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013505838	1	44	-2.0	-98.95	379.14	9.90	-89.05
O=C([O-])COC1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013505839	1	45	-2.0	-100.29	395.75	9.32	-90.97
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505840	1	44	-2.0	-100.68	385.11	8.19	-92.49
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505841	1	44	-2.0	-100.23	380.69	8.62	-91.61
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCCOC1	REAL300013505842	1	45	-2.0	-113.01	387.05	6.77	-106.24
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCOC1	REAL300013505843	1	42	-2.0	-108.93	371.86	5.75	-103.18
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505844	1	42	-2.0	-129.81	369.81	9.44	-120.37
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC=C(CC3=CC=CC(F)=C3)S1)C2	REAL300013505845	1	39	-2.0	-103.88	361.59	7.69	-96.19
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC1	REAL300013505846	1	38	-2.0	-110.78	350.36	7.36	-103.42
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CC12CCC2	REAL300013505847	1	45	-2.0	-103.47	388.95	9.82	-93.65
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCO1	REAL300013505848	1	42	-2.0	-106.47	369.28	8.46	-98.01
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505849	1	45	-2.0	-106.26	394.16	8.20	-98.06
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)C1	REAL300013505850	1	38	-2.0	-104.17	346.98	8.11	-96.06
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC=C(CC3=CC=CC(F)=C3)S1)C2	REAL300013505851	1	39	-2.0	-101.73	360.61	7.72	-94.01
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3=CC=CC(F)=C3)S2)CCCCC1	REAL300013505852	1	47	-2.0	-119.90	388.88	9.61	-110.29
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300013505853	1	40	-2.0	-101.17	364.48	7.41	-93.76
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013505854	1	41	-2.0	-104.73	351.72	8.88	-95.85
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013505855	0	41	-2.0	-101.06	368.28	8.73	-92.33
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013505856	1	41	-2.0	-98.48	371.99	8.12	-90.36
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013505857	1	43	-2.0	-98.56	360.84	6.94	-91.62
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013505858	1	39	-2.0	-108.24	343.34	7.25	-100.99
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N(C)CCC(=O)[O-])=N1	REAL300013505859	1	37	-2.0	-109.65	332.55	7.87	-101.78
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013505860	1	44	-2.0	-102.91	374.63	7.78	-95.13
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013505861	1	40	-2.0	-101.83	355.80	6.79	-95.04
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013505862	1	41	-2.0	-106.60	372.00	8.11	-98.49
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013505863	1	34	-2.0	-106.66	312.80	5.21	-101.45
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013505864	1	43	-2.0	-99.02	377.30	7.57	-91.45
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013505865	1	38	-2.0	-104.50	340.90	3.50	-101.00
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013505866	1	40	-2.0	-107.82	347.66	6.67	-101.15
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013505867	0	44	-2.0	-97.60	389.68	9.54	-88.06
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013505868	1	41	-2.0	-104.59	354.33	8.22	-96.37
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013505869	1	40	-2.0	-112.03	346.87	8.43	-103.60
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013505870	1	44	-2.0	-109.12	371.30	9.37	-99.75
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013505871	1	44	-2.0	-104.86	363.59	9.05	-95.81
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013505872	1	37	-2.0	-100.68	334.30	6.01	-94.67
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013505873	1	44	-2.0	-111.54	370.04	9.34	-102.20
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013505874	1	45	-2.0	-111.54	375.31	5.99	-105.55
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013505875	1	43	-2.0	-100.63	367.59	6.89	-93.74
CCC(CC)(CNC(=O)[N-]C1=NC(C)=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300013505876	1	46	-2.0	-115.69	379.88	7.69	-108.00
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013505877	1	41	-2.0	-115.63	354.07	7.42	-108.21
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013505878	1	37	-2.0	-107.26	331.35	5.97	-101.29
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013505879	1	43	-2.0	-114.73	370.09	7.15	-107.58
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013505880	1	50	-2.0	-108.97	409.31	9.18	-99.79
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013505881	1	47	-2.0	-116.74	397.73	9.57	-107.17
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013505882	1	41	-2.0	-99.74	355.70	7.20	-92.54
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013505883	1	47	-2.0	-101.10	391.03	10.27	-90.83
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013505884	1	43	-2.0	-118.31	368.05	6.78	-111.53
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013505885	1	44	-2.0	-116.26	372.76	8.06	-108.20
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013505886	1	44	-2.0	-102.04	363.65	9.55	-92.49
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013505887	1	41	-2.0	-114.33	354.72	7.36	-106.97
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013505888	1	44	-2.0	-114.08	380.26	8.07	-106.01
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013505889	1	44	-2.0	-104.86	363.59	9.05	-95.81
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013505890	1	49	-2.0	-116.37	400.70	8.42	-107.95
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013505891	1	38	-2.0	-113.70	339.95	6.95	-106.75
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013505892	1	41	-2.0	-126.28	365.60	8.23	-118.05
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C)=C(C3=CC=CC=C3)S2)C1	REAL300013505893	1	45	-2.0	-114.93	386.31	7.32	-107.61
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013505894	1	38	-2.0	-101.96	339.68	6.56	-95.40
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013505896	1	41	-2.0	-109.74	350.54	8.79	-100.95
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013505897	1	41	-2.0	-110.04	351.61	8.84	-101.20
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013505898	1	38	-2.0	-102.13	339.32	6.56	-95.57
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013505899	1	38	-2.0	-101.35	339.60	6.61	-94.74
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013505900	1	41	-2.0	-106.60	372.00	8.11	-98.49
CCC(CNC(=O)[N-]C1=NC(C)=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300013505901	1	40	-2.0	-112.34	348.28	6.78	-105.56
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013505902	1	47	-2.0	-123.18	384.85	10.21	-112.97
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013505903	1	49	-2.0	-98.05	420.30	9.13	-88.92
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013505904	1	46	-2.0	-99.73	398.80	8.35	-91.38
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N(C)CCCC(=O)[O-])=N1	REAL300013505905	1	40	-2.0	-110.58	354.04	8.68	-101.90
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013505906	1	44	-2.0	-109.36	366.30	9.55	-99.81
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C)=C(C3=CC=CC=C3)S2)C1	REAL300013505907	1	48	-2.0	-113.00	398.04	8.71	-104.29
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(C)=C(C2=CC=CC=C2)S1	REAL300013505908	1	44	-2.0	-111.95	385.72	8.04	-103.91
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013505909	1	47	-2.0	-106.86	391.36	10.25	-96.61
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013505910	1	45	-2.0	-130.51	383.89	11.42	-119.09
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013505911	1	42	-2.0	-95.88	363.49	7.58	-88.30
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013505912	1	44	-2.0	-109.69	366.42	9.38	-100.31
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013505913	1	42	-2.0	-107.60	360.63	6.37	-101.23
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013505914	1	45	-2.0	-102.64	390.24	9.11	-93.53
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013505915	0	38	-2.0	-107.45	348.77	8.73	-98.72
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C)=C(C3=CC=CC=C3)S2)CC1	REAL300013505916	1	48	-2.0	-107.52	394.59	8.96	-98.56
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013505917	1	39	-2.0	-104.64	349.53	6.80	-97.84
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013505918	1	50	-2.0	-102.55	395.28	8.79	-93.76
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013505919	1	44	-2.0	-106.48	370.26	8.22	-98.26
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013505920	1	47	-2.0	-99.35	394.40	8.52	-90.83
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013505921	1	44	-2.0	-101.42	368.71	9.49	-91.93
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013505922	1	45	-2.0	-102.12	385.32	8.91	-93.21
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013505923	1	44	-2.0	-102.39	374.63	7.78	-94.61
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013505924	1	44	-2.0	-102.33	374.62	7.78	-94.55
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013505925	1	45	-2.0	-115.62	376.57	6.37	-109.25
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013505926	1	42	-2.0	-111.72	361.38	5.34	-106.38
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013505927	1	42	-2.0	-132.18	359.81	9.04	-123.14
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013505928	1	39	-2.0	-106.16	350.92	7.29	-98.87
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013505929	1	38	-2.0	-113.70	339.95	6.95	-106.75
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013505930	1	45	-2.0	-106.18	378.49	9.41	-96.77
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013505931	1	41	-2.0	-105.05	370.66	8.46	-96.59
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013505932	1	42	-2.0	-107.78	358.79	8.04	-99.74
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C)=C(C3=CC=CC=C3)S2)C1	REAL300013505933	1	45	-2.0	-107.46	383.68	7.79	-99.67
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013505934	1	38	-2.0	-105.81	336.51	7.71	-98.10
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013505935	1	39	-2.0	-103.87	350.44	7.30	-96.57
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013505936	1	47	-2.0	-122.23	378.25	9.19	-113.04
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013505937	1	40	-2.0	-103.34	354.06	7.00	-96.34
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC1	REAL300013505938	1	38	-2.0	-101.06	314.13	6.78	-94.28
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)=C1	REAL300013505939	0	38	-2.0	-101.63	332.84	7.05	-94.58
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC3=C(CCCC3)S2)C=C1	REAL300013505940	1	38	-2.0	-98.91	336.52	6.44	-92.47
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013505941	1	40	-2.0	-99.04	325.29	5.26	-93.78
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CCO1	REAL300013505942	1	36	-2.0	-102.99	305.73	5.15	-97.84
O=C([O-])C1CCC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CC1	REAL300013505943	1	41	-2.0	-103.58	339.15	6.10	-97.48
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(CCCC3)S2)=CC=C1	REAL300013505944	1	38	-2.0	-107.10	336.52	6.43	-100.67
O=C([O-])CCCCCNC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013505945	1	40	-2.0	-99.58	341.75	5.89	-93.69
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC1	REAL300013505946	1	48	-2.0	-104.60	388.91	10.17	-94.43
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)=C1	REAL300013505947	0	41	-2.0	-98.15	354.24	7.85	-90.30
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013505948	1	38	-2.0	-99.87	316.73	6.12	-93.75
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013505949	1	41	-2.0	-109.05	331.18	7.93	-101.12
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC1	REAL300013505950	1	41	-2.0	-105.23	328.14	7.36	-97.87
CC1CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC1C(=O)[O-]	REAL300013505951	1	41	-2.0	-111.96	326.86	7.39	-104.57
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCC3)S2)CCOCC1	REAL300013505952	1	42	-2.0	-114.04	338.83	4.48	-109.56
CC(C)(CCNC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013505953	1	40	-2.0	-101.06	331.45	5.20	-95.86
CCC(CC)(CNC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013505954	1	43	-2.0	-116.29	344.34	6.01	-110.28
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCC1	REAL300013505955	1	38	-2.0	-118.96	318.70	5.76	-113.20
O=C([O-])C1CC(=O)N(C2CCN(C(=O)[N-]C3=NC4=C(CCCC4)S3)CC2)C1	REAL300013505956	1	49	-2.0	-97.21	392.99	7.53	-89.68
CC(C)C(CNC(=O)[N-]C1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013505957	1	40	-2.0	-115.37	334.54	5.47	-109.90
CC(NC(=O)[N-]C1=NC2=C(CCCC2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013505958	1	47	-2.0	-109.51	374.19	7.45	-102.06
CC(CNC(=O)[N-]C1=NC2=C(CCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013505959	1	44	-2.0	-117.65	362.25	7.89	-109.76
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013505960	1	38	-2.0	-100.22	320.17	5.51	-94.71
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC1	REAL300013505961	1	44	-2.0	-98.15	353.43	8.16	-89.99
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC3=C(CCCC3)S1)C2	REAL300013505962	1	40	-2.0	-118.93	332.57	5.09	-113.84
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCC3)S2)CCCC1	REAL300013505963	1	41	-2.0	-116.68	337.21	6.37	-110.31
CC1CN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CCC1C(=O)[O-]	REAL300013505964	1	41	-2.0	-98.78	326.05	7.44	-91.34
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCC3)S2)CCC1	REAL300013505965	1	38	-2.0	-114.91	319.23	5.68	-109.23
O=C([O-])CC(CNC(=O)[N-]C1=NC2=C(CCCC2)S1)C1CC1	REAL300013505966	1	41	-2.0	-114.92	344.26	6.31	-108.61
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC1	REAL300013505967	1	41	-2.0	-105.23	328.14	7.36	-97.87
CC(C)C[C@H](CNC(=O)[N-]C1=NC2=C(CCCC2)S1)CC(=O)[O-]	REAL300013505968	1	46	-2.0	-118.05	365.26	6.70	-111.35
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013505969	1	38	-2.0	-127.34	330.12	6.55	-120.79
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013505970	1	42	-2.0	-109.45	348.71	5.22	-104.23
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NC4=C(CCCC4)S3)C2)C=N1	REAL300013505972	1	48	-2.0	-129.43	393.37	8.56	-120.87
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013505973	1	38	-2.0	-104.27	312.92	6.72	-97.55
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013505974	1	38	-2.0	-104.55	314.06	6.73	-97.82
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(CCCC3)S2)=CC=C1	REAL300013505975	1	38	-2.0	-107.10	336.52	6.43	-100.67
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC3=C(CCCC3)S1)CC2C(=O)[O-]	REAL300013505976	1	48	-2.0	-110.24	398.83	8.44	-101.80
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013505977	1	44	-2.0	-124.21	348.85	8.50	-115.71
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013505978	1	46	-2.0	-98.64	384.74	7.45	-91.19
O=C([O-])CCCCCCNC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013505979	1	43	-2.0	-100.30	363.24	6.67	-93.63
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013505980	1	41	-2.0	-103.86	328.39	7.44	-96.42
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013505981	1	45	-2.0	-107.68	360.43	6.59	-101.09
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013505982	1	41	-2.0	-112.02	350.18	6.36	-105.66
O=C([O-])[C@]12CN(C(=O)[N-]C3=NC4=C(CCCC4)S3)C[C@H]1C1=CC=CC=C1OC2	REAL300013505983	1	47	-2.0	-109.81	385.44	8.00	-101.81
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013505984	1	44	-2.0	-102.29	353.77	8.14	-94.15
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC2=CC=CC=C21	REAL300013505985	1	42	-2.0	-124.62	346.29	9.26	-115.36
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CCO1	REAL300013505986	1	49	-2.0	-97.21	401.03	6.33	-90.88
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC1	REAL300013505987	1	39	-2.0	-95.99	327.61	5.80	-90.19
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013505988	1	41	-2.0	-108.24	330.71	7.72	-100.52
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C[C@H]1C1=CC=CC=C1	REAL300013505989	1	45	-2.0	-107.82	375.87	9.13	-98.69
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013505990	1	39	-2.0	-102.53	323.03	4.26	-98.27
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C2=CC=CC=C21	REAL300013505991	1	42	-2.0	-103.19	354.77	7.43	-95.76
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C1=O	REAL300013505992	1	45	-2.0	-137.50	364.82	6.63	-130.87
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)=C1	REAL300013505993	0	35	-2.0	-108.27	313.21	7.04	-101.23
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC1	REAL300013505994	1	45	-2.0	-104.00	357.00	6.86	-97.14
O=C([O-])C12CC(NC(=O)[N-]C3=NC4=C(CCCC4)S3)(C1)C2	REAL300013505995	1	36	-2.0	-100.00	311.99	4.72	-95.28
O=C([O-])CC1(CNC(=O)[N-]C2=NC3=C(CCCC3)S2)CCCCC1	REAL300013505996	1	47	-2.0	-121.82	360.16	7.08	-114.74
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=C(CCCC3)S2)CC1	REAL300013505997	1	41	-2.0	-103.65	331.33	6.09	-97.56
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC3=C(CCCC3)S2)CC1	REAL300013505998	1	44	-2.0	-99.29	357.57	6.82	-92.47
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC1	REAL300013505999	1	41	-2.0	-98.80	331.12	7.38	-91.42
O=C([O-])COC1CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC1	REAL300013506000	1	42	-2.0	-99.10	347.72	6.81	-92.29
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013506001	1	41	-2.0	-98.91	337.08	5.70	-93.21
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013506002	1	41	-2.0	-102.56	334.19	6.51	-96.05
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCC3)S2)CCCOC1	REAL300013506003	1	42	-2.0	-116.33	341.09	4.69	-111.64
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCCC3)S2)CCOC1	REAL300013506004	1	39	-2.0	-112.12	325.90	3.66	-108.46
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300013506005	1	39	-2.0	-126.52	322.29	6.96	-119.56
CC(C)(CC1=CC=C(CNC(=O)[N-]C2=NC3=C(CCCC3)S2)C=C1)C(=O)[O-]	REAL300013506006	1	50	-2.0	-96.61	411.15	8.82	-87.79
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC3=C(CCCC3)S1)C2	REAL300013506007	1	36	-2.0	-106.57	315.38	5.60	-100.97
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CC12CCC2	REAL300013506008	1	42	-2.0	-103.40	340.89	7.30	-96.10
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013506009	1	38	-2.0	-100.33	333.06	6.37	-93.96
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCCC3)S2)CCO1	REAL300013506010	1	39	-2.0	-102.55	321.26	5.95	-96.60
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCCC3)S2)C1	REAL300013506011	1	42	-2.0	-108.19	348.20	6.10	-102.09
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NC4=C(CCCC4)S3)=CC=C21	REAL300013506012	0	42	-2.0	-106.50	366.11	8.55	-97.95
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC3=C(CCCC3)S1)C2	REAL300013506013	1	36	-2.0	-104.35	314.97	5.62	-98.73
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(CCCC3)S2)CCCCC1	REAL300013506014	1	44	-2.0	-123.33	342.92	7.51	-115.82
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC(C3CC3)=CS2)=C1	REAL300013506049	0	35	-2.0	-98.11	317.86	6.10	-92.01
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC(C3CC3)=CS2)C=C1	REAL300013506050	1	35	-2.0	-93.18	321.54	5.50	-87.68
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(C3CC3)=CS2)CC1	REAL300013506051	1	38	-2.0	-95.89	324.18	5.16	-90.73
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3CC3)=CS2)=CC=C1	REAL300013506052	1	35	-2.0	-100.53	321.54	5.49	-95.04
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)CC1	REAL300013506053	1	45	-2.0	-101.72	375.99	9.65	-92.07
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC(C3CC3)=CS2)=C1	REAL300013506054	0	38	-2.0	-91.76	338.98	6.96	-84.80
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013506055	1	38	-2.0	-104.26	316.82	7.03	-97.23
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)CC1	REAL300013506056	1	38	-2.0	-98.36	313.13	6.45	-91.91
CC1CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)CC1C(=O)[O-]	REAL300013506057	1	38	-2.0	-102.64	319.50	6.73	-95.91
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CC3)=CS2)CCOCC1	REAL300013506058	1	39	-2.0	-104.31	324.86	3.37	-100.94
CCC(CC)(CNC(=O)[N-]C1=NC(C2CC2)=CS1)C(=O)[O-]	REAL300013506059	1	40	-2.0	-107.63	326.72	5.40	-102.23
O=C([O-])C1CC(=O)N(C2CCN(C(=O)[N-]C3=NC(C4CC4)=CS3)CC2)C1	REAL300013506060	1	46	-2.0	-94.44	380.04	7.01	-87.43
CC(NC(=O)[N-]C1=NC(C2CC2)=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013506061	1	44	-2.0	-101.76	359.20	6.52	-95.24
CC(CNC(=O)[N-]C1=NC(C2CC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013506062	1	41	-2.0	-109.36	347.27	6.95	-102.41
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)CC1	REAL300013506063	1	41	-2.0	-95.34	340.52	7.65	-87.69
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC(C3CC3)=CS1)C2	REAL300013506064	1	37	-2.0	-109.37	317.60	4.16	-105.21
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CC3)=CS2)CCCC1	REAL300013506065	1	38	-2.0	-108.62	322.24	5.44	-103.18
CC1CN(C(=O)[N-]C2=NC(C3CC3)=CS2)CCC1C(=O)[O-]	REAL300013506066	1	38	-2.0	-95.80	313.10	6.91	-88.89
O=C([O-])CC(CNC(=O)[N-]C1=NC(C2CC2)=CS1)C1CC1	REAL300013506067	1	38	-2.0	-93.19	321.92	5.95	-87.24
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)CC1	REAL300013506068	1	38	-2.0	-98.36	313.13	6.45	-91.91
CC(C)C[C@H](CNC(=O)[N-]C1=NC(C2CC2)=CS1)CC(=O)[O-]	REAL300013506069	1	43	-2.0	-107.55	350.30	5.81	-101.74
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013506070	1	35	-2.0	-117.98	315.14	5.61	-112.37
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013506071	1	39	-2.0	-106.14	335.79	4.69	-101.45
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NC(C4CC4)=CS3)C2)C=N1	REAL300013506073	1	45	-2.0	-122.29	378.39	7.62	-114.67
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3CC3)=CS2)=CC=C1	REAL300013506074	1	35	-2.0	-100.53	321.54	5.49	-95.04
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC(C3CC3)=CS1)CC2C(=O)[O-]	REAL300013506075	1	45	-2.0	-103.00	384.05	7.48	-95.52
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013506076	1	41	-2.0	-113.81	333.87	7.56	-106.25
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013506077	1	43	-2.0	-92.23	369.77	6.51	-85.72
O=C([O-])CCCCCCNC(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013506078	1	40	-2.0	-93.43	348.27	5.73	-87.70
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013506079	1	38	-2.0	-100.66	315.75	6.93	-93.73
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013506080	1	42	-2.0	-104.92	347.79	6.09	-98.83
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013506081	1	38	-2.0	-107.50	335.21	5.42	-102.08
O=C([O-])[C@]12CN(C(=O)[N-]C3=NC(C4CC4)=CS3)C[C@H]1C1=CC=CC=C1OC2	REAL300013506082	1	44	-2.0	-104.20	373.32	7.63	-96.57
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013506083	1	41	-2.0	-99.23	340.80	7.62	-91.61
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CC3)=CS2)CC2=CC=CC=C21	REAL300013506084	1	39	-2.0	-120.81	333.37	8.75	-112.06
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC(C3CC3)=CS2)CCO1	REAL300013506085	1	46	-2.0	-94.46	388.11	5.81	-88.65
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)CC1	REAL300013506086	1	36	-2.0	-90.21	312.99	4.97	-85.24
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013506087	1	38	-2.0	-105.07	317.11	6.81	-98.26
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NC(C3CC3)=CS2)C[C@H]1C1=CC=CC=C1	REAL300013506088	1	42	-2.0	-118.40	362.61	8.59	-109.81
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013506089	1	36	-2.0	-99.39	310.11	3.75	-95.64
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CC3)=CS2)C2=CC=CC=C21	REAL300013506090	1	39	-2.0	-96.41	339.74	6.48	-89.93
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC(C3CC3)=CS2)C1=O	REAL300013506091	1	42	-2.0	-127.17	349.85	5.70	-121.47
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC(C3CC3)=CS2)=C1	REAL300013506092	0	32	-2.0	-99.79	298.24	6.10	-93.69
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)CC1	REAL300013506093	1	42	-2.0	-101.06	344.09	6.36	-94.70
O=C([O-])CC1(CNC(=O)[N-]C2=NC(C3CC3)=CS2)CCCCC1	REAL300013506094	1	44	-2.0	-110.72	345.03	6.18	-104.54
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC(C3CC3)=CS2)CC1	REAL300013506095	1	38	-2.0	-100.66	318.43	5.55	-95.11
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC(C3CC3)=CS2)CC1	REAL300013506096	1	41	-2.0	-93.28	342.61	5.87	-87.41
O=C([O-])CC1CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)CC1	REAL300013506097	1	38	-2.0	-95.86	318.20	6.87	-88.99
O=C([O-])COC1CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)CC1	REAL300013506098	1	39	-2.0	-96.34	334.81	6.29	-90.05
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013506099	1	38	-2.0	-95.97	324.17	5.16	-90.81
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013506100	1	38	-2.0	-95.62	323.65	5.15	-90.47
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CC3)=CS2)CCCOC1	REAL300013506101	1	39	-2.0	-107.96	326.11	3.73	-104.23
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CC3)=CS2)CCOC1	REAL300013506102	1	36	-2.0	-102.86	310.21	2.86	-100.00
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC(C2CC2)=CS1	REAL300013506103	1	36	-2.0	-96.70	304.99	6.31	-90.39
CC(C)(CC1=CC=C(CNC(=O)[N-]C2=NC(C3CC3)=CS2)C=C1)C(=O)[O-]	REAL300013506104	1	47	-2.0	-90.75	396.76	7.88	-82.87
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CC3)=CS2)CC12CCC2	REAL300013506105	1	39	-2.0	-100.23	328.01	6.78	-93.45
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013506106	1	35	-2.0	-97.06	320.12	5.84	-91.22
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CC3)=CS2)CCO1	REAL300013506107	1	36	-2.0	-99.41	308.31	5.41	-94.00
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CC3)=CS2)C1	REAL300013506108	1	39	-2.0	-98.96	333.22	5.17	-93.79
O=C([O-])CN1C(=O)NC2(CCN(C(=O)[N-]C3=NC(C4CC4)=CS3)CC2)C1=O	REAL300013506109	1	44	-2.0	-94.25	379.01	4.75	-89.50
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NC(C4CC4)=CS3)=CC=C21	REAL300013506110	0	39	-2.0	-98.70	351.13	7.60	-91.10
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3CC3)=CS2)CCCCC1	REAL300013506111	1	41	-2.0	-114.92	327.94	6.57	-108.35
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013506931	0	42	-2.0	-104.73	349.61	6.79	-97.94
CCC(CC)C1=NN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013506932	0	42	-2.0	-101.24	366.77	6.67	-94.57
CCC(CC)C1=NN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013506933	0	42	-2.0	-98.56	370.49	6.07	-92.49
CCC(CC)C1=NN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013506934	0	44	-2.0	-98.72	359.27	4.89	-93.83
CCC(CC)C1=NN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013506935	0	40	-2.0	-108.83	341.18	5.15	-103.68
CCC(CC)C1=NN=C([N-]C(=O)N(C)CCC(=O)[O-])S1	REAL300013506936	0	38	-2.0	-110.55	330.97	5.81	-104.74
CCC(CC)C1=NN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013506937	0	45	-2.0	-103.92	373.12	5.73	-98.19
CCC(CC)C1=NN=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013506938	0	41	-2.0	-102.40	354.23	4.73	-97.67
CCC(CC)C1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013506939	0	42	-2.0	-106.66	370.49	6.06	-100.60
CCC(CC)C1=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013506940	0	44	-2.0	-99.39	375.18	5.49	-93.90
CCC(CC)C1=NN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013506941	0	39	-2.0	-104.64	339.73	1.50	-103.14
CCC(CC)C1=NN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013506942	0	41	-2.0	-108.54	346.12	4.59	-103.95
CCC(CC)C1=NN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013506943	0	45	-2.0	-97.95	388.17	7.48	-90.47
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013506944	0	42	-2.0	-117.13	352.72	6.21	-110.92
CCC(CC)C1=NN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013506945	0	41	-2.0	-113.62	346.11	6.39	-107.23
CCC(CC)C1=NN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013506946	0	45	-2.0	-107.84	369.89	7.29	-100.55
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013506947	0	45	-2.0	-104.90	362.08	7.00	-97.90
CCC(CC)C1=NN=C([N-]C(=O)NCCCC(=O)[O-])S1	REAL300013506948	0	38	-2.0	-100.73	332.18	3.92	-96.81
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013506949	0	45	-2.0	-112.35	367.90	7.26	-105.09
CCC(CC)C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013506950	0	46	-2.0	-111.89	370.64	4.12	-107.77
CCC(CC)C1=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013506951	0	44	-2.0	-100.58	365.47	4.81	-95.77
CCC(CC)C1=NN=C([N-]C(=O)NCC(CC)(CC)C(=O)[O-])S1	REAL300013506952	0	47	-2.0	-114.95	377.77	5.61	-109.34
CCC(CC)C1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013506953	0	42	-2.0	-118.30	352.13	5.36	-112.94
CCC(CC)C1=NN=C([N-]C(=O)NCC(C)C(=O)[O-])S1	REAL300013506954	0	38	-2.0	-107.63	329.23	3.89	-103.74
CCC(CC)C1=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013506955	0	44	-2.0	-114.02	367.97	5.08	-108.94
CCC(CC)C1=NN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013506956	0	51	-2.0	-109.81	408.11	7.07	-102.74
CCC(CC)C1=NN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013506957	0	48	-2.0	-116.10	395.67	7.48	-108.62
CCC(CC)C1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013506958	0	42	-2.0	-100.07	353.60	5.21	-94.86
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013506959	0	48	-2.0	-101.31	389.46	8.20	-93.11
CCC(CC)C1=NN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013506960	0	44	-2.0	-118.38	366.20	4.71	-113.67
CCC(CC)C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013506961	0	45	-2.0	-114.67	367.63	6.18	-108.49
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013506962	0	45	-2.0	-102.08	362.05	7.48	-94.60
CCC(CC)C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013506963	0	42	-2.0	-112.79	353.57	5.13	-107.66
CCC(CC)C1=NN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013506964	0	45	-2.0	-114.55	377.69	5.92	-108.63
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013506965	0	45	-2.0	-104.90	362.08	7.00	-97.90
CCC(CC)C1=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013506966	0	50	-2.0	-102.66	404.10	6.53	-96.13
CCC(CC)C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013506967	0	39	-2.0	-112.58	337.82	4.86	-107.72
CCC(CC)C1=NN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013506968	0	42	-2.0	-126.06	364.09	6.18	-119.88
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)S1	REAL300013506969	0	46	-2.0	-118.43	385.75	5.23	-113.20
CCC(CC)C1=NN=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013506970	0	39	-2.0	-101.98	337.61	4.48	-97.50
CCC(CC)C1=NN=C([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300013506971	0	47	-2.0	-98.60	386.11	3.58	-95.02
CCC(CC)C1=NN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013506972	0	42	-2.0	-110.63	349.10	6.72	-103.91
CCC(CC)C1=NN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013506973	0	42	-2.0	-110.84	349.55	6.75	-104.09
CCC(CC)C1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013506974	0	39	-2.0	-102.15	338.19	4.51	-97.64
CCC(CC)C1=NN=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013506975	0	39	-2.0	-101.54	337.47	4.52	-97.02
CCC(CC)C1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013506976	0	42	-2.0	-106.66	370.49	6.06	-100.60
CCC(CNC(=O)[N-]C1=NN=C(C(CC)CC)S1)C(=O)[O-]	REAL300013506977	0	41	-2.0	-111.87	346.26	4.81	-107.06
CCC(CC)C1=NN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013506978	0	48	-2.0	-125.84	382.89	8.13	-117.71
CCC(CC)C1=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013506979	0	50	-2.0	-98.58	418.72	7.08	-91.50
CCC(CC)C1=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013506980	0	47	-2.0	-100.45	396.68	6.27	-94.18
CCC(CC)C1=NN=C([N-]C(=O)N(C)CCCC(=O)[O-])S1	REAL300013506981	0	41	-2.0	-111.44	351.92	6.59	-104.85
CCC(CC)C1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013506982	0	45	-2.0	-110.18	364.70	7.48	-102.70
CCC(CC)C1=NN=C([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)S1	REAL300013506983	0	49	-2.0	-113.00	395.80	7.28	-105.72
CCC(CC)C1=NN=C([N-]C(=O)N(CCOC)CCC(=O)[O-])S1	REAL300013506984	0	45	-2.0	-110.34	384.15	5.98	-104.36
CCC(CC)C1=NN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013506985	0	48	-2.0	-108.14	389.75	8.18	-99.96
CCC(CC)C1=NN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013506986	0	46	-2.0	-131.88	382.32	9.35	-122.53
CCC(CC)C1=NN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013506987	0	43	-2.0	-95.52	361.01	5.39	-90.13
CCC(CC)C1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013506988	0	45	-2.0	-108.70	365.51	7.34	-101.36
CCC(CC)C1=NN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013506989	0	49	-2.0	-109.81	411.14	9.14	-100.67
CCC(CC)C1=NN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013506990	0	43	-2.0	-108.28	358.51	4.27	-104.01
CCC(CC)C1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013506991	0	46	-2.0	-104.10	392.62	7.25	-96.85
CCC(CC)C1=NN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013506992	0	49	-2.0	-138.29	398.79	6.26	-132.03
CCC(CC)C1=NN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013506993	0	39	-2.0	-108.48	347.19	6.68	-101.80
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)S1	REAL300013506994	0	49	-2.0	-107.41	393.04	6.92	-100.49
CCC(CC)C1=NN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013506995	0	40	-2.0	-105.75	347.39	4.71	-101.04
CCC(CC)C1=NN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013506996	0	51	-2.0	-119.49	393.86	6.73	-112.76
CCC(CC)C1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013506997	0	45	-2.0	-106.02	368.14	6.14	-99.88
CCC(CC)C1=NN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013506998	0	48	-2.0	-99.59	392.32	6.44	-93.15
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013506999	0	45	-2.0	-101.04	367.15	7.43	-93.61
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013507000	0	46	-2.0	-102.41	383.21	6.82	-95.59
CCC(CC)C1=NN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013507001	0	45	-2.0	-102.52	373.12	5.73	-96.79
CCC(CC)C1=NN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013507002	0	45	-2.0	-101.92	367.62	6.11	-95.81
CCC(CC)C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013507003	0	46	-2.0	-114.78	374.52	4.28	-110.50
CCC(CC)C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013507004	0	43	-2.0	-110.77	359.33	3.26	-107.51
CCC(CC)C1=NN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013507005	0	43	-2.0	-105.10	353.39	6.85	-98.25
CCC(CC)C1=NN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013507006	0	40	-2.0	-105.80	349.11	5.20	-100.60
CCC(CC)C1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013507007	0	39	-2.0	-112.58	337.82	4.86	-107.72
CCC(CC)C1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013507008	0	46	-2.0	-105.27	376.42	7.32	-97.95
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013507009	0	42	-2.0	-104.87	369.06	6.42	-98.45
CCC(CC)C1=NN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013507010	0	43	-2.0	-108.40	356.74	5.94	-102.46
CCC(CC)C1=NN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013507011	0	46	-2.0	-108.19	382.17	5.73	-102.46
CCC(CC)C1=NN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013507012	0	46	-2.0	-106.87	399.53	8.15	-98.72
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013507013	0	39	-2.0	-106.53	334.09	5.60	-100.93
CCC(CC)C1=NN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013507014	0	40	-2.0	-104.26	348.07	5.23	-99.03
CCC(CC)C1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013507015	0	48	-2.0	-122.77	376.34	7.11	-115.66
CCC(CC)C1=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013507016	0	41	-2.0	-103.25	351.94	4.92	-98.33
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(CC3=CC=CC=C3F)S2)CC1	REAL300013507970	0	40	-2.0	-107.98	356.33	7.97	-100.01
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NN=C(CC3=CC=CC=C3F)S2)=C1	REAL300013507971	0	40	-2.0	-104.63	373.00	7.82	-96.81
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NN=C(CC3=CC=CC=C3F)S2)C=C1	REAL300013507972	0	40	-2.0	-101.91	376.66	7.22	-94.69
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300013507973	0	42	-2.0	-98.85	365.32	6.04	-92.81
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(CC3=CC=CC=C3F)S2)CCO1	REAL300013507974	0	38	-2.0	-112.83	347.91	6.33	-106.50
CN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300013507975	0	36	-2.0	-114.58	337.15	6.96	-107.62
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(CC3=CC=CC=C3F)S2)CC1	REAL300013507976	0	43	-2.0	-107.91	379.30	6.88	-101.03
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300013507977	0	39	-2.0	-102.23	360.28	5.88	-96.35
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(CC3=CC=CC=C3F)S2)=CC=C1	REAL300013507978	0	40	-2.0	-106.57	376.55	7.20	-99.37
O=C([O-])CCNC(=O)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300013507979	0	33	-2.0	-106.50	317.28	4.30	-102.20
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300013507980	0	42	-2.0	-99.44	381.78	6.66	-92.78
CC(O)(CNC(=O)[N-]C1=NN=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013507981	0	37	-2.0	-104.22	345.79	2.65	-101.57
CC(C)(CNC(=O)[N-]C1=NN=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013507982	0	39	-2.0	-107.93	352.72	5.75	-102.18
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC3=CC=CC=C3F)S2)C1	REAL300013507983	0	40	-2.0	-110.30	360.88	7.27	-103.03
CC(CN(C)C(=O)[N-]C1=NN=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013507984	0	39	-2.0	-117.17	351.48	7.51	-109.66
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(CC3=CC=CC=C3F)S2)C1	REAL300013507985	0	43	-2.0	-109.75	371.30	8.71	-101.04
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC3=CC=CC=C3F)S2)CC1	REAL300013507986	0	43	-2.0	-108.31	368.25	8.14	-100.17
O=C([O-])CCCNC(=O)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300013507987	0	36	-2.0	-100.65	338.78	5.10	-95.55
CC1CCN(C(=O)[N-]C2=NN=C(CC3=CC=CC=C3F)S2)CC1C(=O)[O-]	REAL300013507988	0	43	-2.0	-116.09	367.02	8.14	-107.95
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CC1=CC=C(CC2=NN=C([N-]C(=O)NC3CC(C(=O)[O-])C3)S2)C=C1	REAL300013508170	0	40	-2.0	-101.76	360.20	6.29	-95.47
CC1=CC=C(CC2=NN=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)C=C1	REAL300013508171	0	40	-2.0	-101.21	360.07	6.33	-94.88
CC1=CC=C(CC2=NN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)C=C1	REAL300013508172	0	43	-2.0	-106.27	392.50	7.84	-98.43
CCC(CNC(=O)[N-]C1=NN=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013508173	0	42	-2.0	-111.15	368.82	6.62	-104.53
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCCCC3CCC(=O)[O-])S2)C=C1	REAL300013508174	0	49	-2.0	-125.52	404.83	9.90	-115.62
CC1=CC=C(CC2=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S2)C=C1	REAL300013508175	0	51	-2.0	-98.41	440.73	8.86	-89.55
CC1=CC=C(CC2=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S2)C=C1	REAL300013508176	0	48	-2.0	-100.28	419.23	8.08	-92.20
CC1=CC=C(CC2=NN=C([N-]C(=O)N(C)CCCC(=O)[O-])S2)C=C1	REAL300013508177	0	42	-2.0	-111.14	374.48	8.40	-102.74
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)S2)C=C1	REAL300013508178	0	46	-2.0	-109.81	386.71	9.26	-100.55
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(CC2=CC=C(C)C=C2)S1	REAL300013508179	0	46	-2.0	-109.42	406.17	7.76	-101.66
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)S2)C=C1	REAL300013508180	0	49	-2.0	-107.92	411.76	9.96	-97.96
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)S2)C=C1	REAL300013508181	0	44	-2.0	-95.13	383.57	7.20	-87.93
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CC(C(=O)[O-])CCC3C)S2)C=C1	REAL300013508182	0	46	-2.0	-107.93	388.07	9.15	-98.78
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)S2)C=C1	REAL300013508183	0	44	-2.0	-107.98	381.00	6.08	-101.90
CC1=CC=C(CC2=NN=C([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)S2)C=C1	REAL300013508184	0	40	-2.0	-108.22	369.20	8.45	-99.77
CC1=CC=C(CC2=NN=C([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)S2)C=C1	REAL300013508185	0	41	-2.0	-105.57	369.95	6.52	-99.05
CC1=CC=C(CC2=NN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)S2)C=C1	REAL300013508186	0	46	-2.0	-105.49	390.70	7.94	-97.55
CC1=CC=C(CC2=NN=C([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)S2)C=C1	REAL300013508187	0	49	-2.0	-98.86	413.57	8.22	-90.64
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCC(CC(=O)[O-])CC3)S2)C=C1	REAL300013508188	0	46	-2.0	-100.55	389.16	9.21	-91.34
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)S2)C=C1	REAL300013508189	0	47	-2.0	-102.19	405.76	8.63	-93.56
CC1=CC=C(CC2=NN=C([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013508190	0	46	-2.0	-102.12	395.12	7.51	-94.61
CC1=CC=C(CC2=NN=C([N-]C(=O)NC3CCCC(C(=O)[O-])C3)S2)C=C1	REAL300013508191	0	46	-2.0	-101.87	394.61	7.50	-94.37
CC1=CC=C(CC2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)S2)C=C1	REAL300013508192	0	47	-2.0	-114.06	397.07	6.09	-107.97
CC1=CC=C(CC2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CCOC3)S2)C=C1	REAL300013508193	0	44	-2.0	-110.18	381.88	5.07	-105.11
CC1=CC=C(CC2=NN=C([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)S2)C=C1	REAL300013508194	0	44	-2.0	-104.75	375.94	8.66	-96.09
CC1=CC=C(CC2=NN=C([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1	REAL300013508195	0	41	-2.0	-105.33	371.66	7.01	-98.32
CC1=CC=C(CC2=NN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1	REAL300013508196	0	40	-2.0	-111.82	360.38	6.67	-105.15
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)S2)C=C1	REAL300013508197	0	47	-2.0	-104.63	398.93	9.13	-95.50
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)S2)C=C1	REAL300013508198	0	44	-2.0	-108.15	379.30	7.75	-100.40
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(CC3=CC=C(C)C=C3)S2)C1	REAL300013508199	0	47	-2.0	-107.87	404.18	7.51	-100.36
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCC(C(=O)[O-])C3)S2)C=C1	REAL300013508200	0	40	-2.0	-106.17	356.65	7.41	-98.76
CC1=CC=C(CC2=NN=C([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1	REAL300013508201	0	41	-2.0	-103.96	370.62	7.04	-96.92
CC1=CC=C(CC2=NN=C([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)S2)C=C1	REAL300013508202	0	49	-2.0	-121.81	398.89	8.91	-112.90
CC1=CC=C(CC2=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S2)C=C1	REAL300013508203	0	42	-2.0	-102.75	374.49	6.73	-96.02
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CC1	REAL300013508737	1	37	-2.0	-93.91	339.44	6.10	-87.81
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3	REAL300013508738	1	39	-2.0	-83.73	346.47	3.74	-79.99
O=C([O-])C1CN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CCO1	REAL300013508739	1	35	-2.0	-98.10	331.08	4.46	-93.64
O=C([O-])C1CCC(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CC1	REAL300013508740	1	40	-2.0	-86.94	360.33	4.59	-82.35
O=C([O-])CCCCNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3	REAL300013508741	1	36	-2.0	-85.94	341.43	3.59	-82.35
O=C([O-])CCNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3	REAL300013508742	1	30	-2.0	-88.62	298.44	2.02	-86.60
O=C([O-])CCCCCNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3	REAL300013508743	1	39	-2.0	-84.25	362.93	4.37	-79.88
CC(O)(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)C(=O)[O-]	REAL300013508744	1	34	-2.0	-86.76	326.53	0.30	-86.46
CC(C)(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)C(=O)[O-]	REAL300013508745	1	36	-2.0	-89.53	333.29	3.49	-86.04
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)C1	REAL300013508746	1	37	-2.0	-93.82	342.04	5.45	-88.37
CC(CN(C)C(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)C(=O)[O-]	REAL300013508747	1	36	-2.0	-88.37	331.39	4.94	-83.43
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)C1	REAL300013508748	1	40	-2.0	-95.76	354.41	6.84	-88.92
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CC1	REAL300013508749	1	40	-2.0	-94.07	351.36	6.28	-87.79
O=C([O-])CCCNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3	REAL300013508750	1	33	-2.0	-84.96	319.94	2.81	-82.15
CC1CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CC1C(=O)[O-]	REAL300013508751	1	40	-2.0	-100.75	350.12	6.28	-94.47
CC(C)(CCNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)C(=O)[O-]	REAL300013508752	1	39	-2.0	-85.14	353.22	3.70	-81.44
O=C([O-])CC1(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CCC1	REAL300013508753	1	37	-2.0	-105.38	341.97	4.67	-100.71
CC(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)C(=O)[O-]	REAL300013508754	1	33	-2.0	-89.04	316.98	2.77	-86.27
CC(C)C(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)C(=O)[O-]	REAL300013508755	1	39	-2.0	-94.77	350.47	4.07	-90.70
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)C1	REAL300013508756	1	37	-2.0	-89.13	343.43	4.42	-84.71
O=C([O-])C1(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CCCC1	REAL300013508757	1	40	-2.0	-103.12	360.48	5.28	-97.84
CC1CN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CCC1C(=O)[O-]	REAL300013508758	1	40	-2.0	-91.31	351.34	6.75	-84.56
O=C([O-])C1(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CCC1	REAL300013508759	1	37	-2.0	-96.26	340.42	4.16	-92.10
O=C([O-])CC(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)C1CC1	REAL300013508760	1	40	-2.0	-94.81	365.45	4.80	-90.01
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CC1	REAL300013508761	1	40	-2.0	-94.07	351.36	6.28	-87.79
O=C([O-])C1(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CC1	REAL300013508762	1	34	-2.0	-100.69	327.66	4.17	-96.52
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)C1	REAL300013508763	1	34	-2.0	-86.38	325.02	3.37	-83.01
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)C1	REAL300013508764	1	37	-2.0	-99.39	338.24	6.01	-93.38
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)C1	REAL300013508765	1	37	-2.0	-99.70	339.40	6.06	-93.64
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)C1	REAL300013508766	1	34	-2.0	-86.40	325.02	3.37	-83.03
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)C1	REAL300013508767	1	34	-2.0	-91.14	327.02	3.84	-87.30
CCC(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)C(=O)[O-]	REAL300013508768	1	36	-2.0	-95.44	338.94	3.48	-91.96
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)C1	REAL300013508769	1	40	-2.0	-99.02	354.01	6.76	-92.26
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3	REAL300013508770	1	40	-2.0	-96.61	354.14	6.59	-90.02
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)=C1	REAL300013508771	0	34	-2.0	-97.23	336.49	5.96	-91.27
O=C([O-])C12CC(NC(=O)[N-]C3=NC4=CC5=C(C=C4S3)OC(F)(F)O5)(C1)C2	REAL300013508772	1	35	-2.0	-95.01	337.22	4.02	-90.99
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CC1	REAL300013508773	1	40	-2.0	-94.55	356.65	5.39	-89.16
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CC1	REAL300013508774	1	40	-2.0	-90.16	356.43	6.71	-83.45
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)C1	REAL300013508775	1	40	-2.0	-91.70	362.41	5.01	-86.69
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)C1	REAL300013508776	1	40	-2.0	-86.68	355.37	5.00	-81.68
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3	REAL300013508777	1	38	-2.0	-110.99	345.45	5.84	-105.15
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC3=CC4=C(C=C3S1)OC(F)(F)O4)C2	REAL300013508778	1	35	-2.0	-94.86	338.63	4.52	-90.34
O=C([O-])C1(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)CC1	REAL300013508779	1	34	-2.0	-100.69	327.66	4.17	-96.52
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OC(F)(F)O4)C1	REAL300013508780	1	34	-2.0	-95.48	323.89	4.92	-90.56
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC3=CC4=C(C=C3S1)OC(F)(F)O4)C2	REAL300013508781	1	35	-2.0	-87.69	336.15	4.11	-83.58
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3	REAL300013508782	1	36	-2.0	-87.41	339.69	3.81	-83.60
CCCC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013511440	1	40	-2.0	-92.40	353.58	6.13	-86.27
CCCC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013511449	1	43	-2.0	-89.31	374.97	6.94	-82.37
CCCC1=NC(C)=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013511494	1	37	-2.0	-97.80	333.94	6.13	-91.67
CCCC1=NC(C)=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013511513	1	44	-2.0	-99.21	386.84	7.62	-91.59
O=C([O-])CCNC(=O)[N-]C1=NC2=CC=C(I)C=C2S1	REAL300013512020	1	27	-2.0	-100.51	288.65	4.46	-96.05
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=CN=NS2)CC1	REAL300013512914	0	37	-2.0	-91.40	320.77	6.05	-85.35
O=C([O-])C1CC(=O)N(C2CCN(C(=O)[N-]C3=CN=NS3)CC2)C1	REAL300013512915	0	38	-2.0	-92.88	323.56	3.40	-89.48
CC(CNC(=O)[N-]C1=CN=NS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013512916	0	33	-2.0	-95.28	292.05	3.35	-91.93
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=CN=NS3)C2)C=N1	REAL300013512917	0	37	-2.0	-94.07	327.90	3.87	-90.20
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=CN=NS1)CC2C(=O)[O-]	REAL300013512918	0	37	-2.0	-87.48	323.81	3.77	-83.71
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=CN=NS2)C1	REAL300013512919	0	34	-2.0	-95.34	292.57	2.49	-92.85
O=C([O-])[C@]12CN(C(=O)[N-]C3=CN=NS3)C[C@H]1C1=CC=CC=C1OC2	REAL300013512920	0	36	-2.0	-93.29	317.49	4.39	-88.90
O=C([O-])C1CN(C(=O)[N-]C2=CN=NS2)CC2=CC=CC=C21	REAL300013512921	0	31	-2.0	-108.79	278.15	5.17	-103.62
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=CN=NS2)CCO1	REAL300013512922	0	38	-2.0	-85.74	332.89	2.22	-83.52
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=CN=NS2)C[C@H]1C1=CC=CC=C1	REAL300013512923	0	34	-2.0	-98.45	305.85	4.95	-93.50
O=C([O-])C1CC(NC(=O)[N-]C2=CN=NS2)C2=CC=CC=C21	REAL300013512924	0	31	-2.0	-85.76	284.52	2.90	-82.86
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=CN=NS2)C1=O	REAL300013512925	0	34	-2.0	-116.31	294.61	2.11	-114.20
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=CN=NS2)CC1	REAL300013512926	0	34	-2.0	-90.45	288.87	2.77	-87.68
CC(C)(CC1=CC=C(CNC(=O)[N-]C2=CN=NS2)C=C1)C(=O)[O-]	REAL300013512927	0	39	-2.0	-81.93	340.96	4.28	-77.65
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O=C([O-])CN1C(=O)NC2(CCN(C(=O)[N-]C3=CN=NS3)CC2)C1=O	REAL300013512929	0	36	-2.0	-86.84	323.78	1.16	-85.68
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=CN=NS3)=CC=C21	REAL300013512930	0	31	-2.0	-89.68	295.91	4.02	-85.66
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O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)=C1	REAL300013519863	0	36	-2.0	-95.21	321.68	4.24	-90.97
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC3=C(COCC3)S2)C=C1	REAL300013519864	1	36	-2.0	-93.61	325.35	3.64	-89.97
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013519865	1	38	-2.0	-93.22	314.13	2.45	-90.77
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)CCO1	REAL300013519866	1	34	-2.0	-100.04	296.53	2.75	-97.29
O=C([N-]C1=NC2=C(COCC2)S1)NC1CCC(C(=O)[O-])CC1	REAL300013519867	1	39	-2.0	-96.25	327.99	3.30	-92.95
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(COCC3)S2)=CC=C1	REAL300013519868	1	36	-2.0	-100.98	325.36	3.62	-97.36
O=C([O-])CCCCCNC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013519869	1	38	-2.0	-93.41	330.59	3.08	-90.33
CC(O)(CNC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013519870	1	33	-2.0	-96.75	294.19	-0.98	-97.73
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013519871	1	46	-2.0	-100.64	376.39	7.65	-92.99
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)=C1	REAL300013519872	0	39	-2.0	-92.18	343.08	5.04	-87.14
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013519873	1	36	-2.0	-97.03	307.62	3.73	-93.30
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013519874	1	39	-2.0	-104.55	325.30	4.91	-99.64
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013519875	1	39	-2.0	-98.47	316.94	4.58	-93.89
CC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1C(=O)[O-]	REAL300013519876	1	39	-2.0	-102.91	323.33	4.85	-98.06
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(COCC3)S2)CCOCC1	REAL300013519877	1	40	-2.0	-104.63	328.67	1.50	-103.13
CC(C)(CCNC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013519878	1	38	-2.0	-94.61	320.30	2.39	-92.22
CCC(CC)(CNC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013519879	1	41	-2.0	-108.72	333.19	3.20	-105.52
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCC1	REAL300013519880	1	36	-2.0	-111.28	307.53	2.95	-108.33
O=C([O-])C1CC(=O)N(C2CCN(C(=O)[N-]C3=NC4=C(COCC4)S3)CC2)C1	REAL300013519881	1	47	-2.0	-94.65	383.86	5.16	-89.49
CC(C)C(CNC(=O)[N-]C1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013519882	1	38	-2.0	-107.51	323.38	2.67	-104.84
CC(NC(=O)[N-]C1=NC2=C(COCC2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013519883	1	45	-2.0	-102.25	362.99	4.64	-97.61
CC(CNC(=O)[N-]C1=NC2=C(COCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013519884	1	42	-2.0	-111.05	356.47	4.84	-106.21
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O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300013519887	1	38	-2.0	-97.24	320.71	2.39	-94.85
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(COCC3)S2)CCCC1	REAL300013519888	1	39	-2.0	-109.04	326.05	3.57	-105.47
CC1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)CCC1C(=O)[O-]	REAL300013519889	1	39	-2.0	-96.02	316.91	5.05	-90.97
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(COCC3)S2)CCC1	REAL300013519890	1	36	-2.0	-107.54	308.07	2.87	-104.67
O=C([O-])CC(CNC(=O)[N-]C1=NC2=C(COCC2)S1)C1CC1	REAL300013519891	1	39	-2.0	-105.39	333.09	3.51	-101.88
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013519892	1	39	-2.0	-98.47	316.94	4.58	-93.89
CC(C)C[C@H](CNC(=O)[N-]C1=NC2=C(COCC2)S1)CC(=O)[O-]	REAL300013519893	1	44	-2.0	-107.57	354.08	3.95	-103.62
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013519894	1	36	-2.0	-118.39	318.96	3.74	-114.65
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013519895	1	40	-2.0	-106.29	339.60	2.82	-103.47
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NC4=C(COCC4)S3)C2)C=N1	REAL300013519897	1	46	-2.0	-122.72	382.20	5.76	-116.96
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013519898	1	36	-2.0	-101.17	303.78	4.31	-96.86
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013519899	1	36	-2.0	-101.63	304.96	4.35	-97.28
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(COCC3)S2)=CC=C1	REAL300013519900	1	36	-2.0	-100.98	325.36	3.62	-97.36
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC3=C(COCC3)S1)CC2C(=O)[O-]	REAL300013519901	1	46	-2.0	-103.31	387.86	5.62	-97.69
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013519902	1	42	-2.0	-113.76	337.68	5.69	-108.07
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013519903	1	44	-2.0	-92.58	373.59	4.64	-87.94
O=C([O-])CCCCCCNC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013519904	1	41	-2.0	-93.76	352.09	3.86	-89.90
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013519905	1	39	-2.0	-100.91	319.59	5.06	-95.85
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013519906	1	43	-2.0	-104.69	351.28	4.23	-100.46
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013519907	1	39	-2.0	-107.69	339.03	3.55	-104.14
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013519908	1	42	-2.0	-99.51	344.66	5.76	-93.75
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC2=CC=CC=C21	REAL300013519909	1	40	-2.0	-120.47	337.24	6.89	-113.58
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)CCO1	REAL300013519910	1	47	-2.0	-94.73	391.92	3.94	-90.79
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013519911	1	37	-2.0	-90.16	316.41	3.00	-87.16
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013519912	1	39	-2.0	-105.11	319.71	4.87	-100.24
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)C[C@H]1C1=CC=CC=C1	REAL300013519913	1	43	-2.0	-104.69	366.76	6.74	-97.95
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013519914	1	37	-2.0	-99.76	313.85	1.87	-97.89
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(COCC3)S2)C2=CC=CC=C21	REAL300013519915	1	40	-2.0	-96.69	343.60	4.63	-92.06
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC3=C(COCC3)S2)C1=O	REAL300013519916	1	43	-2.0	-126.73	353.66	3.83	-122.90
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=C(COCC3)S2)=C1	REAL300013519917	0	33	-2.0	-99.93	302.06	4.24	-95.69
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013519918	1	43	-2.0	-101.47	347.91	4.51	-96.96
O=C([O-])C12CC(NC(=O)[N-]C3=NC4=C(COCC4)S3)(C1)C2	REAL300013519919	1	34	-2.0	-97.22	302.80	2.31	-94.91
O=C([O-])CC1(CNC(=O)[N-]C2=NC3=C(COCC3)S2)CCCCC1	REAL300013519920	1	45	-2.0	-112.02	349.00	4.28	-107.74
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013519921	1	39	-2.0	-101.09	322.24	3.68	-97.41
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013519922	1	42	-2.0	-94.11	347.72	4.02	-90.09
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013519923	1	39	-2.0	-96.22	322.02	5.00	-91.22
O=C([O-])COC1CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300013519924	1	40	-2.0	-96.83	338.62	4.43	-92.40
O=C([N-]C1=NC2=C(COCC2)S1)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013519925	1	39	-2.0	-96.34	327.99	3.30	-93.04
O=C([N-]C1=NC2=C(COCC2)S1)NC1CCCC(C(=O)[O-])C1	REAL300013519926	1	39	-2.0	-96.33	327.98	3.30	-93.03
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(COCC3)S2)CCCOC1	REAL300013519927	1	40	-2.0	-108.38	329.92	1.89	-106.49
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(COCC3)S2)CCOC1	REAL300013519928	1	37	-2.0	-104.96	314.73	0.84	-104.12
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300013519929	1	37	-2.0	-123.17	313.11	4.55	-118.62
CC(C)(CC1=CC=C(CNC(=O)[N-]C2=NC3=C(COCC3)S2)C=C1)C(=O)[O-]	REAL300013519930	1	48	-2.0	-91.12	399.97	6.00	-85.12
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300013519931	1	34	-2.0	-100.28	304.21	2.80	-97.48
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(COCC3)S2)CC12CCC2	REAL300013519932	1	40	-2.0	-100.49	331.83	4.91	-95.58
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013519933	1	36	-2.0	-97.45	323.95	3.98	-93.47
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(COCC3)S2)CCO1	REAL300013519934	1	37	-2.0	-99.72	312.15	3.56	-96.16
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300013519935	1	40	-2.0	-99.32	337.03	3.31	-96.01
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NC4=C(COCC4)S3)=CC=C21	REAL300013519936	0	40	-2.0	-101.57	354.95	5.73	-95.84
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300013519937	1	34	-2.0	-97.04	303.81	2.81	-94.23
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(COCC3)S2)CCCCC1	REAL300013519938	1	42	-2.0	-115.31	331.75	4.70	-110.61
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CC1	REAL300013521665	0	40	-2.0	-104.13	357.58	7.78	-96.35
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)=C1	REAL300013521666	0	40	-2.0	-100.50	374.24	7.62	-92.88
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C=C1	REAL300013521667	0	40	-2.0	-98.43	377.91	7.02	-91.41
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521668	0	42	-2.0	-98.19	366.69	5.85	-92.34
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CCO1	REAL300013521669	0	38	-2.0	-107.57	349.06	6.12	-101.45
CN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521670	0	36	-2.0	-109.24	338.40	6.77	-102.47
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CC1	REAL300013521671	0	43	-2.0	-103.11	380.54	6.69	-96.42
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521672	0	39	-2.0	-101.59	361.65	5.69	-95.90
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)=CC=C1	REAL300013521673	0	40	-2.0	-105.94	377.92	7.01	-98.93
O=C([O-])CCNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521674	0	33	-2.0	-105.66	318.65	4.11	-101.55
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521675	0	42	-2.0	-98.84	383.15	6.47	-92.37
CC(O)(CNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)C(=O)[O-]	REAL300013521676	0	37	-2.0	-103.51	346.75	2.40	-101.11
CC(C)(CNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)C(=O)[O-]	REAL300013521677	0	39	-2.0	-106.86	353.51	5.58	-101.28
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521678	0	40	-2.0	-105.28	362.13	7.09	-98.19
CC(CN(C)C(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)C(=O)[O-]	REAL300013521679	0	39	-2.0	-112.24	353.53	7.35	-104.89
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521680	0	43	-2.0	-107.41	372.54	8.52	-98.89
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CC1	REAL300013521681	0	43	-2.0	-104.32	369.49	7.96	-96.36
O=C([O-])CCCNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521682	0	36	-2.0	-99.96	340.15	4.91	-95.05
CC1CCN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CC1C(=O)[O-]	REAL300013521683	0	43	-2.0	-110.58	368.26	7.95	-102.63
CC(C)(CCNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)C(=O)[O-]	REAL300013521684	0	42	-2.0	-99.83	372.85	5.79	-94.04
CCC(CC)(CNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)C(=O)[O-]	REAL300013521685	0	45	-2.0	-112.79	383.09	6.92	-105.87
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CCC1	REAL300013521686	0	40	-2.0	-116.93	360.10	6.35	-110.58
CC(CNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)C(=O)[O-]	REAL300013521687	0	36	-2.0	-106.29	337.20	4.87	-101.42
CC(C)C(CNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)C(=O)[O-]	REAL300013521688	0	42	-2.0	-112.59	375.93	6.06	-106.53
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521689	0	40	-2.0	-99.52	361.56	6.18	-93.34
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CCCC1	REAL300013521690	0	43	-2.0	-113.84	378.60	6.96	-106.88
CC1CN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CCC1C(=O)[O-]	REAL300013521691	0	43	-2.0	-101.69	369.47	8.43	-93.26
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CCC1	REAL300013521692	0	40	-2.0	-112.26	360.63	6.26	-106.00
O=C([O-])CC(CNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)C1CC1	REAL300013521693	0	43	-2.0	-112.84	385.66	6.90	-105.94
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CC1	REAL300013521694	0	43	-2.0	-104.32	369.49	7.96	-96.36
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CC1	REAL300013521695	0	37	-2.0	-111.48	345.79	5.85	-105.63
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521696	0	40	-2.0	-124.38	371.52	7.13	-117.25
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521697	0	37	-2.0	-101.43	345.29	5.46	-95.97
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521698	0	40	-2.0	-109.21	357.06	7.71	-101.50
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521699	0	40	-2.0	-109.41	357.52	7.73	-101.68
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521700	0	37	-2.0	-101.41	345.61	5.47	-95.94
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521701	0	37	-2.0	-100.79	345.44	5.51	-95.28
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)=CC=C1	REAL300013521702	0	40	-2.0	-105.94	377.92	7.01	-98.93
CCC(CNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)C(=O)[O-]	REAL300013521703	0	39	-2.0	-110.59	354.23	5.78	-104.81
O=C([O-])CCCCCCNC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521704	0	45	-2.0	-99.75	404.64	7.25	-92.50
CN(CCCC(=O)[O-])C(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521705	0	39	-2.0	-110.60	359.89	7.57	-103.03
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521706	0	43	-2.0	-108.83	371.84	8.43	-100.40
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521707	0	43	-2.0	-110.43	391.58	6.93	-103.50
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521708	0	43	-2.0	-108.15	372.27	8.26	-99.89
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521709	0	41	-2.0	-107.07	366.48	5.26	-101.81
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)=C1	REAL300013521710	0	37	-2.0	-107.24	354.61	7.63	-99.61
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(C4=CC5=CC=CC=C5O4)S3)(C1)C2	REAL300013521711	0	38	-2.0	-104.85	355.36	5.70	-99.15
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CC1	REAL300013521712	0	43	-2.0	-105.69	376.12	7.11	-98.58
O=C([O-])CC1CCN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CC1	REAL300013521713	0	43	-2.0	-100.70	374.57	8.38	-92.32
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521714	0	43	-2.0	-101.74	380.55	6.69	-95.05
O=C([O-])C1CCCC(NC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521715	0	43	-2.0	-101.28	375.59	7.10	-94.18
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CCOC1	REAL300013521716	0	41	-2.0	-109.73	367.29	4.24	-105.49
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521717	0	41	-2.0	-131.20	365.24	7.94	-123.26
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NN=C(C3=CC4=CC=CC=C4O3)S1)C2	REAL300013521718	0	38	-2.0	-105.09	356.77	6.19	-98.90
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CC1	REAL300013521719	0	37	-2.0	-111.48	345.79	5.85	-105.63
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CC12CCC2	REAL300013521720	0	44	-2.0	-104.49	384.38	8.31	-96.18
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)CCO1	REAL300013521721	0	41	-2.0	-107.19	364.71	6.94	-100.25
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=CC4=CC=CC=C4O3)S2)C1	REAL300013521722	0	37	-2.0	-105.26	342.06	6.59	-98.67
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(C3=CC4=CC=CC=C4O3)S1)C2	REAL300013521723	0	38	-2.0	-103.45	356.29	6.20	-97.25
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1	REAL300013521724	0	39	-2.0	-102.64	359.91	5.91	-96.73
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522420	1	31	-2.0	-92.78	293.25	5.80	-86.98
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)=C1	REAL300013522421	0	31	-2.0	-89.58	309.92	5.64	-83.94
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC=C(C(F)(F)F)S2)C=C1	REAL300013522422	1	31	-2.0	-87.71	313.58	5.04	-82.67
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(C(F)(F)F)S1	REAL300013522423	1	33	-2.0	-87.20	302.36	3.86	-83.34
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CCO1	REAL300013522424	1	29	-2.0	-96.11	284.84	4.16	-91.95
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522425	1	34	-2.0	-91.72	316.22	4.70	-87.02
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(C(F)(F)F)S1	REAL300013522426	1	30	-2.0	-90.53	297.32	3.70	-86.83
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(C(F)(F)F)S2)=CC=C1	REAL300013522427	1	31	-2.0	-94.95	313.59	5.02	-89.93
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(C(F)(F)F)S1	REAL300013522428	1	33	-2.0	-88.11	318.82	4.48	-83.63
CC(O)(CNC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013522429	1	28	-2.0	-91.98	282.42	0.42	-91.56
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522430	1	41	-2.0	-95.64	364.63	9.05	-86.59
CC(C)(CNC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013522431	1	30	-2.0	-95.55	289.76	3.58	-91.97
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)=C1	REAL300013522432	0	34	-2.0	-86.73	331.32	6.45	-80.28
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522433	1	31	-2.0	-92.56	297.24	5.20	-87.36
CC(CN(C)C(=O)[N-]C1=NC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013522434	1	30	-2.0	-93.65	287.28	5.08	-88.57
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522435	1	34	-2.0	-95.64	312.86	6.27	-89.37
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522436	1	34	-2.0	-92.86	305.17	5.97	-86.89
CC1CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1C(=O)[O-]	REAL300013522437	1	34	-2.0	-98.75	303.95	5.98	-92.77
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CCOCC1	REAL300013522438	1	35	-2.0	-99.54	315.90	3.08	-96.46
CC(C)(CCNC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013522439	1	33	-2.0	-88.86	309.11	3.80	-85.06
CCC(CC)(CNC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013522440	1	36	-2.0	-101.69	321.42	4.60	-97.09
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CCC1	REAL300013522441	1	31	-2.0	-104.15	295.78	4.36	-99.79
CC(C)C(CNC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013522442	1	33	-2.0	-99.73	305.35	4.21	-95.52
CC(NC(=O)[N-]C1=NC=C(C(F)(F)F)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013522443	1	40	-2.0	-97.29	348.20	5.47	-91.82
CC(CNC(=O)[N-]C1=NC=C(C(F)(F)F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013522444	1	37	-2.0	-104.05	344.70	6.24	-97.81
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522445	1	31	-2.0	-88.43	297.25	4.20	-84.23
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522446	1	37	-2.0	-89.97	332.56	7.18	-82.79
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC=C(C(F)(F)F)S1)C2	REAL300013522447	1	33	-2.0	-104.62	309.66	3.70	-100.92
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CCCC1	REAL300013522448	1	34	-2.0	-101.05	312.52	4.70	-96.35
CC1CN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CCC1C(=O)[O-]	REAL300013522449	1	34	-2.0	-93.40	311.59	6.29	-87.11
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CCC1	REAL300013522450	1	31	-2.0	-100.22	296.31	4.27	-95.95
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C1CC1	REAL300013522451	1	34	-2.0	-101.01	321.33	4.91	-96.10
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522452	1	34	-2.0	-92.86	305.17	5.97	-86.89
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(C(F)(F)F)S1)CC(=O)[O-]	REAL300013522453	1	39	-2.0	-102.66	342.32	5.35	-97.31
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522454	1	28	-2.0	-99.61	281.46	3.86	-95.75
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC=C(C(F)(F)F)S1	REAL300013522455	1	31	-2.0	-111.88	307.19	5.14	-106.74
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522456	1	35	-2.0	-105.19	329.40	4.22	-100.97
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522457	1	28	-2.0	-90.04	281.31	3.48	-86.56
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522459	1	31	-2.0	-97.46	292.75	5.73	-91.73
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522460	1	31	-2.0	-97.72	293.20	5.75	-91.97
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522461	1	28	-2.0	-90.18	281.29	3.48	-86.70
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522462	1	28	-2.0	-89.63	280.79	3.52	-86.11
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(C(F)(F)F)S2)=CC=C1	REAL300013522463	1	31	-2.0	-94.95	313.59	5.02	-89.93
CCC(CNC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300013522464	1	30	-2.0	-98.36	289.81	3.69	-94.67
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC=C(C(F)(F)F)S1	REAL300013522465	1	37	-2.0	-110.28	325.92	7.10	-103.18
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC=C(C(F)(F)F)S1	REAL300013522466	1	39	-2.0	-87.44	361.82	6.04	-81.40
O=C([O-])CCCCCCNC(=O)[N-]C1=NC=C(C(F)(F)F)S1	REAL300013522467	1	36	-2.0	-88.98	340.32	5.26	-83.72
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(C(F)(F)F)S1	REAL300013522468	1	30	-2.0	-98.44	295.57	5.59	-92.85
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522469	1	34	-2.0	-97.12	307.84	6.45	-90.67
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522470	1	38	-2.0	-101.43	339.84	5.62	-95.81
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(C(F)(F)F)S1	REAL300013522471	1	34	-2.0	-98.32	327.25	4.95	-93.37
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522472	1	37	-2.0	-95.27	332.86	7.15	-88.12
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC2=CC=CC=C21	REAL300013522473	1	35	-2.0	-116.12	325.49	8.34	-107.78
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522474	1	32	-2.0	-84.21	304.65	4.39	-79.82
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(C(F)(F)F)S1	REAL300013522475	1	34	-2.0	-96.19	307.94	6.29	-89.90
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C[C@H]1C1=CC=CC=C1	REAL300013522476	1	38	-2.0	-97.40	354.99	8.15	-89.25
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522477	1	32	-2.0	-95.43	302.16	3.29	-92.14
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)C2=CC=CC=C21	REAL300013522478	1	35	-2.0	-92.22	336.27	6.25	-85.97
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1=O	REAL300013522479	1	38	-2.0	-122.44	341.89	5.24	-117.20
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)=C1	REAL300013522480	0	28	-2.0	-95.44	290.29	5.64	-89.80
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522481	1	38	-2.0	-95.44	336.14	5.88	-89.56
O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(C(F)(F)F)S3)(C1)C2	REAL300013522482	1	29	-2.0	-93.02	291.03	3.71	-89.31
O=C([O-])CC1(CNC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CCCCC1	REAL300013522483	1	40	-2.0	-106.82	337.24	5.68	-101.14
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522484	1	34	-2.0	-94.24	311.79	5.13	-89.11
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522485	1	37	-2.0	-87.96	334.65	5.41	-82.55
O=C([O-])CC1CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522486	1	34	-2.0	-89.51	310.25	6.40	-83.11
O=C([O-])COC1CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522487	1	35	-2.0	-91.11	326.85	5.83	-85.28
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522488	1	34	-2.0	-90.62	316.23	4.70	-85.92
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522489	1	34	-2.0	-90.45	311.79	5.12	-85.33
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CCCOC1	REAL300013522490	1	35	-2.0	-101.30	318.16	3.28	-98.02
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CCOC1	REAL300013522491	1	32	-2.0	-98.03	302.97	2.25	-95.78
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC=C(C(F)(F)F)S1	REAL300013522492	1	32	-2.0	-117.71	300.91	5.95	-111.76
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C2	REAL300013522493	1	29	-2.0	-93.71	292.71	4.20	-89.51
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC1	REAL300013522494	1	28	-2.0	-99.61	281.46	3.86	-95.75
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CC12CCC2	REAL300013522495	1	35	-2.0	-93.18	320.07	6.32	-86.86
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522496	1	31	-2.0	-92.10	312.16	5.39	-86.71
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)CCO1	REAL300013522497	1	32	-2.0	-95.76	300.39	4.96	-90.80
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522498	1	35	-2.0	-95.30	325.27	4.71	-90.59
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NC=C(C(F)(F)F)S3)=CC=C21	REAL300013522499	0	35	-2.0	-97.51	343.18	7.14	-90.37
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(C(F)(F)F)S2)C1	REAL300013522500	1	28	-2.0	-93.72	277.71	4.62	-89.10
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C2	REAL300013522501	1	29	-2.0	-92.09	291.71	4.22	-87.87
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(C(F)(F)F)S2)CCCCC1	REAL300013522502	1	37	-2.0	-107.96	320.00	6.11	-101.85
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(C(F)(F)F)S1	REAL300013522503	1	30	-2.0	-91.18	295.58	3.92	-87.26
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013529256	0	42	-2.0	-110.59	367.81	6.49	-104.10
COC(=O)CCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013529257	0	42	-2.0	-106.69	384.47	6.35	-100.34
COC(=O)CCCC1=NN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013529258	0	42	-2.0	-104.02	388.14	5.74	-98.28
COC(=O)CCCC1=NN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013529259	0	44	-2.0	-104.03	376.91	4.57	-99.46
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013529260	0	40	-2.0	-114.19	359.38	4.85	-109.34
COC(=O)CCCC1=NN=C([N-]C(=O)N(C)CCC(=O)[O-])S1	REAL300013529261	0	38	-2.0	-115.61	348.62	5.49	-110.12
COC(=O)CCCC1=NN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013529262	0	45	-2.0	-109.37	390.78	5.40	-103.97
COC(=O)CCCC1=NN=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013529263	0	41	-2.0	-107.87	371.87	4.41	-103.46
COC(=O)CCCC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013529264	0	42	-2.0	-112.49	388.14	5.73	-106.76
COC(=O)CCCC1=NN=C([N-]C(=O)NCCC(=O)[O-])S1	REAL300013529265	0	35	-2.0	-112.41	328.88	2.83	-109.58
COC(=O)CCCC1=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013529266	0	44	-2.0	-104.83	393.37	5.19	-99.64
COC(=O)CCCC1=NN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013529267	0	39	-2.0	-109.98	357.38	1.18	-108.80
COC(=O)CCCC1=NN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013529268	0	41	-2.0	-113.61	363.73	4.29	-109.32
COC(=O)CCCC1=NN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013529269	0	45	-2.0	-103.43	405.87	7.16	-96.27
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013529270	0	42	-2.0	-110.59	371.79	5.91	-104.68
COC(=O)CCCC1=NN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013529271	0	41	-2.0	-118.71	363.75	6.07	-112.64
COC(=O)CCCC1=NN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013529272	0	45	-2.0	-113.26	388.09	7.00	-106.26
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013529273	0	45	-2.0	-109.77	379.72	6.66	-103.11
COC(=O)CCCC1=NN=C([N-]C(=O)NCCCC(=O)[O-])S1	REAL300013529274	0	38	-2.0	-106.12	350.38	3.63	-102.49
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013529275	0	45	-2.0	-117.79	386.09	6.96	-110.83
COC(=O)CCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013529276	0	46	-2.0	-118.43	390.46	3.79	-114.64
COC(=O)CCCC1=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013529277	0	44	-2.0	-105.93	383.08	4.50	-101.43
CCC(CC)(CNC(=O)[N-]C1=NN=C(CCCC(=O)OC)S1)C(=O)[O-]	REAL300013529278	0	47	-2.0	-119.89	393.31	5.64	-114.25
COC(=O)CCCC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013529279	0	42	-2.0	-124.20	370.32	5.07	-119.13
COC(=O)CCCC1=NN=C([N-]C(=O)NCC(C)C(=O)[O-])S1	REAL300013529280	0	38	-2.0	-113.04	347.42	3.59	-109.45
COC(=O)CCCC1=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013529281	0	44	-2.0	-119.69	386.16	4.77	-114.92
COC(=O)CCCC1=NN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013529282	0	51	-2.0	-115.85	425.80	6.76	-109.09
COC(=O)CCCC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013529283	0	42	-2.0	-105.50	371.80	4.91	-100.59
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013529284	0	48	-2.0	-107.15	407.11	7.88	-99.27
COC(=O)CCCC1=NN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013529285	0	44	-2.0	-123.24	384.20	4.41	-118.83
COC(=O)CCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013529286	0	45	-2.0	-121.01	388.83	5.68	-115.33
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013529287	0	45	-2.0	-107.01	379.71	7.15	-99.86
COC(=O)CCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013529288	0	42	-2.0	-118.53	371.76	4.83	-113.70
COC(=O)CCCC1=NN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013529289	0	45	-2.0	-119.37	395.88	5.62	-113.75
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013529290	0	45	-2.0	-109.77	379.72	6.66	-103.11
COC(=O)CCCC1=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013529291	0	50	-2.0	-107.78	422.29	6.23	-101.55
COC(=O)CCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013529292	0	39	-2.0	-118.21	356.02	4.57	-113.64
COC(=O)CCCC1=NN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013529293	0	42	-2.0	-132.19	381.78	5.82	-126.37
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CCCC(=O)OC)S2)C1	REAL300013529294	0	46	-2.0	-120.56	402.39	4.94	-115.62
COC(=O)CCCC1=NN=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013529295	0	39	-2.0	-107.24	355.46	4.18	-103.06
COC(=O)CCCC1=NN=C([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300013529296	0	47	-2.0	-104.05	403.87	3.25	-100.80
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013529297	0	42	-2.0	-115.85	367.29	6.43	-109.42
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013529298	0	42	-2.0	-116.35	367.74	6.45	-109.90
COC(=O)CCCC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013529299	0	39	-2.0	-107.74	355.84	4.18	-103.56
COC(=O)CCCC1=NN=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013529300	0	39	-2.0	-106.73	355.68	4.23	-102.50
COC(=O)CCCC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013529301	0	42	-2.0	-112.49	388.14	5.73	-106.76
CCC(CNC(=O)[N-]C1=NN=C(CCCC(=O)OC)S1)C(=O)[O-]	REAL300013529302	0	41	-2.0	-118.39	369.38	4.29	-114.10
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013529303	0	48	-2.0	-131.00	400.47	7.80	-123.20
COC(=O)CCCC1=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013529304	0	50	-2.0	-104.05	436.37	6.75	-97.30
COC(=O)CCCC1=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013529305	0	47	-2.0	-105.83	414.87	5.97	-99.86
COC(=O)CCCC1=NN=C([N-]C(=O)N(C)CCCC(=O)[O-])S1	REAL300013529306	0	41	-2.0	-116.29	370.12	6.29	-110.00
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013529307	0	45	-2.0	-115.64	382.35	7.16	-108.48
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(CCCC(=O)OC)S1	REAL300013529308	0	45	-2.0	-115.79	401.81	5.65	-110.14
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013529309	0	48	-2.0	-113.63	407.41	7.86	-105.77
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013529310	0	43	-2.0	-100.99	379.20	5.09	-95.90
COC(=O)CCCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013529311	0	45	-2.0	-113.77	382.49	6.99	-106.78
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013529312	0	43	-2.0	-113.43	376.70	3.98	-109.45
COC(=O)CCCC1=NN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013529313	0	39	-2.0	-113.53	364.84	6.35	-107.18
COC(=O)CCCC1=NN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013529314	0	40	-2.0	-111.14	365.59	4.41	-106.73
COC(=O)CCCC1=NN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013529315	0	51	-2.0	-125.47	411.79	6.38	-119.09
COC(=O)CCCC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013529316	0	45	-2.0	-112.32	386.34	5.83	-106.49
COC(=O)CCCC1=NN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013529317	0	48	-2.0	-104.58	409.21	6.10	-98.48
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013529318	0	45	-2.0	-106.62	384.80	7.10	-99.52
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013529319	0	46	-2.0	-108.36	401.40	6.52	-101.84
COC(=O)CCCC1=NN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013529320	0	45	-2.0	-108.12	390.76	5.40	-102.72
COC(=O)CCCC1=NN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013529321	0	45	-2.0	-107.37	385.81	5.82	-101.55
COC(=O)CCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013529322	0	46	-2.0	-120.50	392.71	3.98	-116.52
COC(=O)CCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013529323	0	43	-2.0	-115.70	377.52	2.96	-112.74
COC(=O)CCCC1=NN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013529324	0	43	-2.0	-110.71	371.58	6.55	-104.16
COC(=O)CCCC1=NN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013529325	0	40	-2.0	-111.52	367.30	4.90	-106.62
COC(=O)CCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013529326	0	39	-2.0	-118.21	356.02	4.57	-113.64
COC(=O)CCCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013529327	0	46	-2.0	-110.63	394.57	7.03	-103.60
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013529328	0	43	-2.0	-113.86	374.94	5.66	-108.20
COC(=O)CCCC1=NN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013529329	0	46	-2.0	-113.62	399.82	5.40	-108.22
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013529330	0	39	-2.0	-111.92	352.29	5.30	-106.62
COC(=O)CCCC1=NN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013529331	0	40	-2.0	-109.51	366.26	4.93	-104.58
COC(=O)CCCC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013529332	0	48	-2.0	-128.64	394.54	6.81	-121.83
COC(=O)CCCC1=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013529333	0	41	-2.0	-109.00	370.13	4.62	-104.38
CC(C)C1=CN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013531304	0	37	-2.0	-98.82	332.84	6.68	-92.14
CC(C)C1=CN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013531305	1	37	-2.0	-96.21	336.50	6.07	-90.14
CC(C)C1=CN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013531306	1	40	-2.0	-100.90	339.14	5.73	-95.17
CC(C)C1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013531307	1	37	-2.0	-104.24	336.50	6.06	-98.18
CC(C)C1=CN=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013531308	1	47	-2.0	-105.18	387.53	10.08	-95.10
CC(C)C1=CN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013531309	0	40	-2.0	-95.49	354.23	7.49	-88.00
CC(C)C1=CN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013531310	1	40	-2.0	-106.09	336.46	7.36	-98.73
CC(C)C1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013531311	1	40	-2.0	-102.32	328.09	7.02	-95.30
CC(C)C1=CN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013531312	1	40	-2.0	-109.32	334.46	7.30	-102.02
CC(C)C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013531313	1	41	-2.0	-110.68	338.82	4.12	-106.56
CCC(CC)(CNC(=O)[N-]C1=NC=C(C(C)C)S1)C(=O)[O-]	REAL300013531314	1	42	-2.0	-112.05	341.68	5.97	-106.08
CC(C)C1=CN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013531315	1	48	-2.0	-98.31	395.00	7.59	-90.72
CC(C)C1=CN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013531316	1	46	-2.0	-106.83	373.71	7.11	-99.72
CC(C)C1=CN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013531317	1	43	-2.0	-114.08	362.24	7.52	-106.56
CC(C)C1=CN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013531318	1	43	-2.0	-98.81	355.47	8.21	-90.60
CC(C)C1=CN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013531319	1	39	-2.0	-102.76	331.87	4.84	-97.92
CC(C)C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013531320	1	40	-2.0	-113.28	337.19	6.01	-107.27
CC(C)C1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013531321	1	40	-2.0	-102.82	334.50	7.33	-95.49
CC(C)C1=CN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013531322	1	40	-2.0	-111.81	344.25	5.95	-105.86
CC(C)C1=CN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013531323	1	40	-2.0	-102.32	328.09	7.02	-95.30
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(C(C)C)S1)CC(=O)[O-]	REAL300013531324	1	45	-2.0	-113.72	365.23	6.39	-107.33
CC(C)C1=CN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013531325	1	37	-2.0	-123.75	330.11	6.18	-117.57
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C(C)C)S2)C1	REAL300013531326	1	41	-2.0	-116.02	352.30	5.26	-110.76
CC(C)C1=CN=C([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)S1	REAL300013531328	1	47	-2.0	-125.70	393.35	8.19	-117.51
CC(C)C1=CN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013531329	1	37	-2.0	-104.24	336.50	6.06	-98.18
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC=C(C(C)C)S1)CC2C(=O)[O-]	REAL300013531330	1	47	-2.0	-107.22	398.82	8.08	-99.14
CC(C)C1=CN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013531331	1	43	-2.0	-121.07	348.83	8.14	-112.93
CC(C)C1=CN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013531332	1	45	-2.0	-95.99	384.73	7.08	-88.91
CC(C)C1=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013531333	1	42	-2.0	-97.65	363.24	6.30	-91.35
CC(C)C1=CN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013531334	1	40	-2.0	-107.18	330.74	7.50	-99.68
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(C(C)C)S2)C1	REAL300013531335	1	44	-2.0	-111.40	362.74	6.66	-104.74
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(C(C)C)S1	REAL300013531336	1	40	-2.0	-108.62	350.17	5.99	-102.63
CC(C)C1=CN=C([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)S1	REAL300013531337	1	46	-2.0	-109.96	388.28	8.21	-101.75
CC(C)C1=CN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013531338	1	43	-2.0	-104.90	355.76	8.19	-96.71
CC(C)C1=CN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013531339	1	41	-2.0	-128.05	348.39	9.37	-118.68
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC=C(C(C)C)S2)CCO1	REAL300013531340	1	48	-2.0	-99.26	403.81	6.42	-92.84
CC(C)C1=CN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013531341	1	38	-2.0	-93.13	327.56	5.43	-87.70
CC(C)C1=CN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013531342	1	40	-2.0	-106.54	330.86	7.33	-99.21
CC(C)C1=CN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013531343	1	44	-2.0	-116.03	376.02	9.11	-106.92
CC(C)C1=CN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013531344	1	38	-2.0	-105.35	325.00	4.31	-101.04
CC(C)C1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013531345	1	41	-2.0	-101.73	359.18	7.28	-94.45
CC(C)C1=CN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013531346	1	44	-2.0	-133.89	364.80	6.26	-127.63
CC(C)C1=CN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013531347	0	34	-2.0	-105.43	313.21	6.68	-98.75
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C(C)C)S2)CC1	REAL300013531348	1	44	-2.0	-104.91	359.07	6.94	-97.97
CC(C)C1=CN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013531349	1	46	-2.0	-118.47	360.15	6.71	-111.76
CC(C)C1=CN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013531350	1	40	-2.0	-103.51	333.38	6.11	-97.40
CC(C)C1=CN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013531351	1	43	-2.0	-97.15	358.89	6.47	-90.68
CC(C)C1=CN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013531352	1	40	-2.0	-98.81	333.16	7.44	-91.37
CC(C)C1=CN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013531353	1	41	-2.0	-99.85	349.76	6.86	-92.99
CC(C)C1=CN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013531354	1	40	-2.0	-100.01	339.13	5.73	-94.28
CC(C)C1=CN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013531355	1	40	-2.0	-99.70	334.18	6.15	-93.55
CC(C)C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013531356	1	41	-2.0	-112.87	341.07	4.33	-108.54
CC(C)C1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013531357	1	38	-2.0	-108.88	325.88	3.29	-105.59
CC(C)C1=CN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013531358	1	38	-2.0	-129.47	323.83	6.98	-122.49
CC(C)C1=CN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013531359	1	49	-2.0	-93.97	411.13	8.44	-85.53
CC(C)C1=CN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013531360	1	41	-2.0	-103.42	342.93	7.36	-96.06
CC(C)C1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013531361	1	37	-2.0	-102.45	335.07	6.42	-96.03
CC(C)C1=CN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013531362	1	38	-2.0	-105.58	323.31	6.00	-99.58
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C(C)C)S2)C1	REAL300013531363	1	41	-2.0	-105.32	348.18	5.74	-99.58
CC(C)C1=CN=C([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)S1	REAL300013531364	1	46	-2.0	-98.06	393.96	5.32	-92.74
CC(C)C1=CN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013531365	0	41	-2.0	-107.05	366.10	8.18	-98.87
CC(C)C1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013531366	1	43	-2.0	-119.76	342.90	7.15	-112.61
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1NC(=O)NCCC(=O)[O-]	REAL300013540883	0	43	-2.0	-120.42	382.09	4.41	-116.01
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013540884	1	37	-2.0	-93.32	311.18	4.39	-88.93
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013540885	1	37	-2.0	-90.78	328.93	4.83	-85.95
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013540886	1	37	-2.0	-89.65	333.54	3.99	-85.66
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013540887	1	39	-2.0	-89.11	321.98	2.93	-86.18
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013540888	1	35	-2.0	-95.03	302.99	2.79	-92.24
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013540889	1	40	-2.0	-91.32	335.82	3.79	-87.53
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013540890	1	37	-2.0	-96.41	333.22	4.10	-92.31
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCCCCCC(=O)[O-]	REAL300013540891	1	39	-2.0	-89.16	338.45	3.55	-85.61
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013540892	1	47	-2.0	-95.36	379.51	7.86	-87.50
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013540893	1	40	-2.0	-88.16	350.33	5.63	-82.53
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013540894	1	37	-2.0	-101.93	313.91	4.16	-97.77
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013540896	1	40	-2.0	-93.69	321.92	4.62	-89.07
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013540898	1	41	-2.0	-101.14	335.85	2.03	-99.11
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013540899	1	39	-2.0	-90.36	328.16	2.85	-87.51
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013540901	1	37	-2.0	-104.65	314.92	3.59	-101.06
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300013540902	1	48	-2.0	-89.65	388.83	5.21	-84.44
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013540905	1	43	-2.0	-106.47	364.66	5.19	-101.28
CN1[N-]C=C2C1=NC=CC2=NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013540906	1	37	-2.0	-90.21	316.87	3.26	-86.95
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013540907	1	43	-2.0	-91.04	350.49	5.77	-85.27
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013540908	1	39	-2.0	-102.91	329.16	2.60	-100.31
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013540909	1	40	-2.0	-103.64	334.23	3.92	-99.72
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013540911	1	37	-2.0	-102.22	316.25	3.22	-99.00
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013540912	1	40	-2.0	-100.60	341.44	4.06	-96.54
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013540913	1	40	-2.0	-93.69	321.92	4.62	-89.07
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013540915	1	37	-2.0	-111.81	327.14	4.10	-107.71
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013540919	1	37	-2.0	-96.05	310.06	4.32	-91.73
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013540920	1	37	-2.0	-96.18	309.20	4.37	-91.81
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013540921	1	37	-2.0	-96.41	333.22	4.10	-92.31
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013540923	1	43	-2.0	-107.92	343.57	6.09	-101.83
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCCCCCCCC(=O)[O-]	REAL300013540924	1	45	-2.0	-88.25	381.45	5.12	-83.13
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCCCCCCC(=O)[O-]	REAL300013540925	1	42	-2.0	-89.16	359.95	4.33	-84.83
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013540926	1	40	-2.0	-95.77	324.49	5.11	-90.66
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013540929	1	46	-2.0	-99.13	382.51	6.31	-92.82
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013540930	1	43	-2.0	-94.29	349.58	5.80	-88.49
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013540931	1	41	-2.0	-114.25	343.77	7.09	-107.16
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013540933	1	38	-2.0	-86.23	321.04	3.30	-82.93
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013540935	1	44	-2.0	-100.97	374.03	6.94	-94.03
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013540936	1	38	-2.0	-94.37	318.89	1.94	-92.43
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013540937	1	41	-2.0	-92.67	351.73	4.98	-87.69
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013540938	1	44	-2.0	-120.38	360.82	4.58	-115.80
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1=CN(CC(=O)[O-])C=N1	REAL300013540939	1	34	-2.0	-95.28	309.93	4.70	-90.58
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013540941	1	35	-2.0	-92.35	310.66	2.77	-89.58
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013540942	1	46	-2.0	-104.98	356.10	5.01	-99.97
CN1[N-]C=C2C1=NC=CC2=NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013540943	1	40	-2.0	-96.30	330.07	4.16	-92.14
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013540944	1	43	-2.0	-90.07	355.93	4.38	-85.69
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013540945	1	40	-2.0	-92.18	328.17	5.00	-87.18
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013540946	1	41	-2.0	-91.82	344.78	4.42	-87.40
CN1[N-]C=C2C1=NC=CC2=NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013540947	1	40	-2.0	-91.68	335.64	3.64	-88.04
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013540948	1	40	-2.0	-93.01	331.73	4.07	-88.94
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013540949	1	41	-2.0	-102.60	338.11	2.23	-100.37
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013540950	1	38	-2.0	-100.18	322.60	1.32	-98.86
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1C2CCC1C(C(=O)[O-])C2	REAL300013540951	1	38	-2.0	-115.59	320.80	4.86	-110.73
CN1[N-]C=C2C1=NC=CC2=NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013540952	1	49	-2.0	-87.13	407.84	6.49	-80.64
CN1[N-]C=C2C1=NC=CC2=NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013540953	1	35	-2.0	-95.53	312.08	3.27	-92.26
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013540954	1	41	-2.0	-96.41	339.54	5.21	-91.20
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013540955	1	37	-2.0	-93.63	330.92	4.25	-89.38
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013540956	1	38	-2.0	-94.92	318.44	3.56	-91.36
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300013540958	1	41	-2.0	-94.22	362.85	6.18	-88.04
CN1[N-]C=C2C1=NC=CC2=NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013540959	1	35	-2.0	-92.06	311.91	3.17	-88.89
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1(CC(=O)[O-])CCCCC1	REAL300013540960	1	43	-2.0	-105.19	333.48	4.97	-100.22
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013543189	1	43	-2.0	-105.43	369.87	7.16	-98.27
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013543190	0	43	-2.0	-101.30	385.88	7.01	-94.29
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013543191	1	43	-2.0	-99.54	388.76	6.36	-93.18
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013543192	1	45	-2.0	-99.16	378.32	5.21	-93.95
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013543193	1	41	-2.0	-106.61	361.48	5.55	-101.06
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013543194	1	46	-2.0	-102.41	391.39	6.02	-96.39
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013543195	1	42	-2.0	-101.24	373.28	5.05	-96.19
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013543196	1	43	-2.0	-106.53	388.77	6.36	-100.17
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013543197	1	36	-2.0	-105.08	330.28	3.48	-101.60
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013543198	1	45	-2.0	-99.24	394.78	5.83	-93.41
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013543199	1	40	-2.0	-103.10	358.37	1.77	-101.33
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013543200	1	42	-2.0	-106.16	365.72	4.93	-101.23
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013543201	0	46	-2.0	-97.96	407.27	7.81	-90.15
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013543202	1	43	-2.0	-103.68	372.48	6.51	-97.17
CCOC(=O)CC1=C(C)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013543203	1	42	-2.0	-104.52	364.10	6.46	-98.06
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013543204	1	46	-2.0	-111.58	388.53	7.61	-103.97
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013543205	1	46	-2.0	-104.68	382.57	7.41	-97.27
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013543206	1	39	-2.0	-100.59	351.78	4.27	-96.32
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013543207	1	46	-2.0	-108.31	384.57	7.53	-100.78
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013543208	1	47	-2.0	-111.09	392.08	4.23	-106.86
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013543209	1	45	-2.0	-100.77	385.07	5.16	-95.61
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N1	REAL300013543210	1	48	-2.0	-115.32	394.71	6.30	-109.02
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013543211	1	43	-2.0	-117.11	370.94	5.67	-111.44
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013543212	1	39	-2.0	-105.21	347.95	4.22	-100.99
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013543213	1	45	-2.0	-112.21	382.31	5.53	-106.68
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013543214	1	52	-2.0	-108.95	427.17	7.41	-101.54
CCOC(=O)CC1=C(C)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013543215	1	43	-2.0	-100.05	373.86	5.50	-94.55
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013543216	1	49	-2.0	-102.22	409.18	8.55	-93.67
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013543217	1	45	-2.0	-115.72	386.31	5.09	-110.63
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013543218	1	46	-2.0	-116.49	390.24	6.33	-110.16
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013543219	1	46	-2.0	-101.97	381.79	7.84	-94.13
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013543220	1	43	-2.0	-113.79	372.39	5.45	-108.34
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013543221	1	46	-2.0	-111.58	397.29	6.26	-105.32
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013543222	1	46	-2.0	-104.68	382.57	7.41	-97.27
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013543223	1	51	-2.0	-113.81	418.27	6.71	-107.10
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013543224	1	40	-2.0	-114.45	357.42	5.21	-109.24
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013543225	1	43	-2.0	-124.28	382.37	6.47	-117.81
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)=N1	REAL300013543226	1	47	-2.0	-112.65	404.46	5.61	-107.04
CCOC(=O)CC1=C(C)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013543227	1	40	-2.0	-102.07	356.45	4.81	-97.26
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013543229	1	43	-2.0	-107.72	368.70	7.08	-100.64
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013543230	1	43	-2.0	-107.95	369.82	7.15	-100.80
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013543231	1	40	-2.0	-102.75	356.09	4.80	-97.95
CCOC(=O)CC1=C(C)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013543232	1	40	-2.0	-101.07	357.79	4.90	-96.17
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013543233	1	43	-2.0	-106.53	388.77	6.36	-100.17
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC(CC)C(=O)[O-])=N1	REAL300013543234	1	42	-2.0	-112.55	370.78	4.94	-107.61
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013543235	1	49	-2.0	-120.58	401.10	8.41	-112.17
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013543236	1	51	-2.0	-98.26	437.77	7.39	-90.87
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013543237	1	48	-2.0	-99.56	416.27	6.61	-92.95
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013543238	1	46	-2.0	-107.32	384.14	7.83	-99.49
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)=N1	REAL300013543239	1	50	-2.0	-111.14	416.19	6.98	-104.16
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013543240	1	49	-2.0	-105.82	409.51	8.54	-97.28
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013543241	1	44	-2.0	-96.75	381.66	5.88	-90.87
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013543242	1	46	-2.0	-110.85	382.97	7.64	-103.21
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013543243	1	44	-2.0	-105.97	378.77	4.66	-101.31
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013543244	0	40	-2.0	-106.07	366.24	7.00	-99.07
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300013543245	1	50	-2.0	-108.45	412.76	7.27	-101.18
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013543246	1	41	-2.0	-103.59	367.66	5.09	-98.50
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013543247	1	52	-2.0	-102.76	412.12	7.03	-95.73
CCOC(=O)CC1=C(C)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013543248	1	46	-2.0	-107.95	387.10	6.47	-101.48
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013543249	1	49	-2.0	-99.64	411.28	6.79	-92.85
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013543250	1	46	-2.0	-102.70	386.87	7.78	-94.92
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013543251	1	47	-2.0	-103.34	403.47	7.20	-96.14
CCOC(=O)CC1=C(C)SC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013543252	1	46	-2.0	-101.84	390.88	6.01	-95.83
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013543253	1	46	-2.0	-102.34	391.40	6.02	-96.32
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013543254	1	47	-2.0	-114.82	393.34	4.62	-110.20
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013543255	1	44	-2.0	-112.64	378.16	3.57	-109.07
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013543256	1	44	-2.0	-131.14	377.29	7.32	-123.82
CCOC(=O)CC1=C(C)SC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013543257	1	41	-2.0	-106.92	368.40	5.56	-101.36
CCOC(=O)CC1=C(C)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013543258	1	40	-2.0	-114.45	357.42	5.21	-109.24
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013543259	1	47	-2.0	-107.22	396.68	7.69	-99.53
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013543260	1	44	-2.0	-106.09	377.01	6.34	-99.75
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013543261	1	47	-2.0	-105.89	400.45	6.03	-99.86
CCOC(=O)CC1=C(C)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013543262	1	40	-2.0	-104.58	354.66	6.01	-98.57
CCOC(=O)CC1=C(C)SC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013543263	1	41	-2.0	-103.18	368.67	5.62	-97.56
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013543264	1	49	-2.0	-123.16	395.93	7.46	-115.70
CCOC(=O)CC1=C(C)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013543265	1	42	-2.0	-104.01	371.54	5.28	-98.73
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013544921	0	42	-2.0	-103.15	351.41	6.97	-96.18
CC(C)CCC1=NN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013544922	0	42	-2.0	-99.64	368.08	6.83	-92.81
CC(C)CCC1=NN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013544923	0	42	-2.0	-96.96	371.74	6.23	-90.73
CC(C)CCC1=NN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013544924	0	44	-2.0	-96.97	360.52	5.05	-91.92
CC(C)CCC1=NN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013544925	0	40	-2.0	-107.10	342.99	5.34	-101.76
CC(C)CCC1=NN=C([N-]C(=O)N(C)CCC(=O)[O-])S1	REAL300013544926	0	38	-2.0	-108.57	332.23	5.98	-102.59
CC(C)CCC1=NN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013544927	0	45	-2.0	-102.42	374.37	5.89	-96.53
CC(C)CCC1=NN=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013544928	0	41	-2.0	-100.97	355.48	4.89	-96.08
CC(C)CCC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013544929	0	42	-2.0	-105.00	371.75	6.21	-98.79
CC(C)CCC1=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013544930	0	44	-2.0	-97.97	376.98	5.67	-92.30
CC(C)CCC1=NN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013544931	0	39	-2.0	-102.78	340.99	1.66	-101.12
CC(C)CCC1=NN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013544932	0	41	-2.0	-106.67	347.92	4.77	-101.90
CC(C)CCC1=NN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013544933	0	45	-2.0	-96.47	389.48	7.64	-88.83
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013544934	0	42	-2.0	-103.52	355.39	6.39	-97.13
CC(C)CCC1=NN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013544935	0	41	-2.0	-111.31	346.56	6.52	-104.79
CC(C)CCC1=NN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013544936	0	45	-2.0	-105.81	371.70	7.50	-98.31
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013544937	0	45	-2.0	-103.19	363.33	7.16	-96.03
CC(C)CCC1=NN=C([N-]C(=O)NCCCC(=O)[O-])S1	REAL300013544938	0	38	-2.0	-99.19	333.98	4.11	-95.08
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013544939	0	45	-2.0	-110.70	369.70	7.44	-103.26
CC(C)CCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013544940	0	46	-2.0	-110.82	374.06	4.27	-106.55
CC(C)CCC1=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013544941	0	44	-2.0	-98.95	366.69	4.99	-93.96
CCC(CC)(CNC(=O)[N-]C1=NN=C(CCC(C)C)S1)C(=O)[O-]	REAL300013544942	0	47	-2.0	-112.13	376.92	6.13	-106.00
CC(C)CCC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013544943	0	42	-2.0	-116.26	353.92	5.55	-110.71
CC(C)CCC1=NN=C([N-]C(=O)NCC(C)C(=O)[O-])S1	REAL300013544944	0	38	-2.0	-105.59	330.15	4.05	-101.54
CC(C)CCC1=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013544945	0	44	-2.0	-112.15	369.77	5.26	-106.89
CC(C)CCC1=NN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013544946	0	51	-2.0	-108.21	409.40	7.24	-100.97
CC(C)CCC1=NN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013544947	0	48	-2.0	-114.01	397.47	7.67	-106.34
CC(C)CCC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013544948	0	42	-2.0	-98.47	355.40	5.39	-93.08
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013544949	0	48	-2.0	-99.78	390.72	8.36	-91.42
CC(C)CCC1=NN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013544950	0	44	-2.0	-116.60	367.80	4.89	-111.71
CC(C)CCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013544951	0	45	-2.0	-113.45	372.44	6.16	-107.29
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013544952	0	45	-2.0	-100.35	363.31	7.63	-92.72
CC(C)CCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013544953	0	42	-2.0	-111.43	354.46	5.46	-105.97
CC(C)CCC1=NN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013544954	0	45	-2.0	-112.59	379.49	6.10	-106.49
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013544955	0	45	-2.0	-103.19	363.33	7.16	-96.03
CC(C)CCC1=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013544956	0	50	-2.0	-100.80	405.89	6.72	-94.08
CC(C)CCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013544957	0	39	-2.0	-110.67	339.62	5.05	-105.62
CC(C)CCC1=NN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013544958	0	42	-2.0	-124.20	365.35	6.34	-117.86
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CCC(C)C)S2)C1	REAL300013544959	0	46	-2.0	-113.69	385.99	5.43	-108.26
CC(C)CCC1=NN=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013544960	0	39	-2.0	-100.40	339.41	4.67	-95.73
CC(C)CCC1=NN=C([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300013544961	0	47	-2.0	-96.97	387.48	3.74	-93.23
CC(C)CCC1=NN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013544962	0	42	-2.0	-108.75	350.21	6.89	-101.86
CC(C)CCC1=NN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013544963	0	42	-2.0	-109.05	351.35	6.93	-102.12
CC(C)CCC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013544964	0	39	-2.0	-100.35	339.45	4.67	-95.68
CC(C)CCC1=NN=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013544965	0	39	-2.0	-99.83	339.35	4.72	-95.11
CC(C)CCC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013544966	0	42	-2.0	-105.00	371.75	6.21	-98.79
CCC(CNC(=O)[N-]C1=NN=C(CCC(C)C)S1)C(=O)[O-]	REAL300013544967	0	41	-2.0	-110.02	348.06	5.00	-105.02
CC(C)CCC1=NN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013544968	0	48	-2.0	-124.15	384.69	8.32	-115.83
CC(C)CCC1=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013544969	0	50	-2.0	-97.22	419.98	7.23	-89.99
CC(C)CCC1=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013544970	0	47	-2.0	-98.96	398.48	6.45	-92.51
CC(C)CCC1=NN=C([N-]C(=O)N(C)CCCC(=O)[O-])S1	REAL300013544971	0	41	-2.0	-109.61	353.72	6.78	-102.83
CC(C)CCC1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013544972	0	45	-2.0	-108.60	365.96	7.64	-100.96
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(CCC(C)C)S2)C1	REAL300013544973	0	49	-2.0	-112.86	397.99	6.81	-106.05
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(CCC(C)C)S1	REAL300013544974	0	45	-2.0	-108.28	385.41	6.13	-102.15
CC(C)CCC1=NN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013544975	0	48	-2.0	-106.64	391.01	8.34	-98.30
CC(C)CCC1=NN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013544976	0	46	-2.0	-129.45	383.56	9.51	-119.94
CC(C)CCC1=NN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013544977	0	43	-2.0	-93.81	362.81	5.58	-88.23
CC(C)CCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013544978	0	45	-2.0	-106.37	366.10	7.47	-98.90
CC(C)CCC1=NN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013544979	0	49	-2.0	-108.00	413.15	9.34	-98.66
CC(C)CCC1=NN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013544980	0	43	-2.0	-106.61	360.31	4.46	-102.15
CC(C)CCC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013544981	0	46	-2.0	-102.33	394.42	7.44	-94.89
CC(C)CCC1=NN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013544982	0	49	-2.0	-135.62	400.04	6.43	-129.19
CC(C)CCC1=NN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013544983	0	39	-2.0	-106.84	348.45	6.83	-100.01
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CCC(C)C)S2)CC1	REAL300013544984	0	49	-2.0	-105.91	394.29	7.07	-98.84
CC(C)CCC1=NN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013544985	0	40	-2.0	-104.02	349.19	4.90	-99.12
CC(C)CCC1=NN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013544986	0	51	-2.0	-118.72	395.40	6.87	-111.85
CC(C)CCC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013544987	0	45	-2.0	-104.13	369.95	6.32	-97.81
CC(C)CCC1=NN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013544988	0	48	-2.0	-98.02	394.13	6.62	-91.40
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013544989	0	45	-2.0	-99.48	368.40	7.57	-91.91
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013544990	0	46	-2.0	-101.07	385.00	7.00	-94.07
CC(C)CCC1=NN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013544991	0	45	-2.0	-100.92	374.37	5.89	-95.03
CC(C)CCC1=NN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013544992	0	45	-2.0	-100.20	369.41	6.30	-93.90
CC(C)CCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013544993	0	46	-2.0	-112.79	376.32	4.47	-108.32
CC(C)CCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013544994	0	43	-2.0	-108.87	361.13	3.44	-105.43
CC(C)CCC1=NN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013544995	0	43	-2.0	-103.49	355.19	7.04	-96.45
CC(C)CCC1=NN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013544996	0	40	-2.0	-104.04	350.90	5.39	-98.65
CC(C)CCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013544997	0	39	-2.0	-110.67	339.62	5.05	-105.62
CC(C)CCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013544998	0	46	-2.0	-103.36	378.17	7.51	-95.85
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013544999	0	42	-2.0	-109.48	371.00	6.58	-102.90
CC(C)CCC1=NN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013545000	0	43	-2.0	-106.85	358.55	6.14	-100.71
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(CCC(C)C)S2)C1	REAL300013545001	0	46	-2.0	-106.36	383.52	5.92	-100.44
CC(C)CCC1=NN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013545002	0	46	-2.0	-105.14	401.34	8.33	-96.81
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013545003	0	39	-2.0	-104.82	335.89	5.79	-99.03
CC(C)CCC1=NN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013545004	0	40	-2.0	-102.51	349.87	5.41	-97.10
CC(C)CCC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013545005	0	48	-2.0	-120.69	378.14	7.30	-113.39
CC(C)CCC1=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013545006	0	41	-2.0	-101.53	353.74	5.11	-96.42
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013545007	1	40	-2.0	-99.79	334.31	6.87	-92.92
CC1=C(C(C)C)N=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013545008	0	40	-2.0	-96.52	350.98	6.73	-89.79
CC1=C(C(C)C)N=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013545009	1	40	-2.0	-94.66	353.25	6.08	-88.58
CC1=C(C(C)C)N=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013545010	1	42	-2.0	-94.38	342.02	4.89	-89.49
CC1=C(C(C)C)N=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013545011	1	38	-2.0	-101.63	325.92	5.25	-96.38
CC1=C(C(C)C)N=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013545012	1	43	-2.0	-97.47	355.87	5.74	-91.73
CC1=C(C(C)C)N=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013545013	1	40	-2.0	-102.13	353.26	6.05	-96.08
CC1=C(C(C)C)N=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013545014	1	42	-2.0	-94.50	358.49	5.51	-88.99
CC1=C(C(C)C)N=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013545015	1	37	-2.0	-98.42	322.09	1.44	-96.98
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013545016	1	50	-2.0	-103.23	409.09	10.28	-92.95
CC1=C(C(C)C)N=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013545017	0	43	-2.0	-93.29	372.38	7.53	-85.76
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013545018	1	40	-2.0	-98.60	336.92	6.22	-92.38
CC1=C(C(C)C)N=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013545019	1	43	-2.0	-106.14	353.21	7.33	-98.81
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013545020	1	43	-2.0	-100.37	347.01	7.12	-93.25
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013545021	1	43	-2.0	-103.25	349.00	7.24	-96.01
CC1=C(C(C)C)N=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013545022	1	44	-2.0	-106.46	356.56	3.94	-102.52
CC1=C(C(C)C)N=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013545023	1	42	-2.0	-95.94	348.19	4.83	-91.11
CCC(CC)(CNC(=O)[N-]C1=NC(C(C)C)=C(C)S1)C(=O)[O-]	REAL300013545024	1	45	-2.0	-110.59	361.09	5.63	-104.96
CC1=C(C(C)C)N=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013545025	1	40	-2.0	-112.89	336.82	5.44	-107.45
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013545026	1	51	-2.0	-95.86	411.76	7.58	-88.28
CC1=C(C(C)C)N=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013545027	1	42	-2.0	-107.99	346.02	5.21	-102.78
CC1=C(C(C)C)N=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013545028	1	49	-2.0	-103.52	390.56	7.13	-96.39
CC1=C(C(C)C)N=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013545029	1	46	-2.0	-112.90	384.37	7.27	-105.63
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013545030	1	40	-2.0	-95.68	338.29	5.29	-90.39
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013545031	1	46	-2.0	-96.73	373.62	8.27	-88.46
CC1=C(C(C)C)N=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013545032	1	42	-2.0	-111.59	349.36	4.73	-106.86
CC1=C(C(C)C)N=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013545033	1	43	-2.0	-110.89	353.95	5.99	-104.90
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013545034	1	43	-2.0	-97.44	346.23	7.55	-89.89
CC1=C(C(C)C)N=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013545035	1	40	-2.0	-109.43	337.36	5.37	-104.06
CC1=C(C(C)C)N=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013545036	1	43	-2.0	-107.40	362.39	6.01	-101.39
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013545037	1	43	-2.0	-100.37	347.01	7.12	-93.25
CC1=C(C(C)C)N=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013545038	1	48	-2.0	-109.65	383.37	6.44	-103.21
CC1=C(C(C)C)N=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013545039	1	40	-2.0	-120.26	346.86	6.18	-114.08
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C(C)C)=C(C)S2)C1	REAL300013545040	1	44	-2.0	-108.12	368.89	5.32	-102.80
CC1=C(C(C)C)N=C([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)S1	REAL300013545042	1	50	-2.0	-124.33	410.10	8.20	-116.13
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013545043	1	40	-2.0	-102.92	333.11	6.82	-96.10
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013545044	1	40	-2.0	-103.23	332.88	6.80	-96.43
CC1=C(C(C)C)N=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013545045	1	40	-2.0	-102.13	353.26	6.05	-96.08
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC(C(C)C)=C(C)S1)CC2C(=O)[O-]	REAL300013545046	1	50	-2.0	-104.91	417.16	8.11	-96.80
CC1=C(C(C)C)N=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013545047	1	46	-2.0	-115.58	365.58	8.12	-107.46
CC1=C(C(C)C)N=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013545048	1	48	-2.0	-93.61	401.48	7.07	-86.54
CC1=C(C(C)C)N=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013545049	1	45	-2.0	-94.89	379.98	6.29	-88.60
CC1=C(C(C)C)N=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013545050	1	43	-2.0	-102.50	348.89	7.56	-94.94
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C(C)C)=C(C)S2)C1	REAL300013545051	1	47	-2.0	-106.24	380.62	6.70	-99.54
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(C(C)C)=C(C)S1	REAL300013545052	1	43	-2.0	-109.36	366.92	5.99	-103.37
CC1=C(C(C)C)N=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013545053	1	46	-2.0	-100.83	373.95	8.26	-92.57
CC1=C(C(C)C)N=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013545054	1	44	-2.0	-122.86	366.47	9.37	-113.49
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC(C(C)C)=C(C)S2)CCO1	REAL300013545055	1	51	-2.0	-95.93	420.56	6.42	-89.51
CC1=C(C(C)C)N=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013545056	1	41	-2.0	-91.69	346.10	5.60	-86.09
CC1=C(C(C)C)N=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013545057	1	43	-2.0	-105.57	347.45	7.36	-98.21
CC1=C(C(C)C)N=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013545058	1	47	-2.0	-106.50	394.66	9.18	-97.32
CC1=C(C(C)C)N=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013545059	1	41	-2.0	-101.20	343.15	4.38	-96.82
CC1=C(C(C)C)N=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013545060	1	44	-2.0	-99.35	375.93	7.29	-92.06
CC1=C(C(C)C)N=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013545061	1	47	-2.0	-129.22	381.56	6.26	-122.96
CC1=C(C(C)C)N=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013545062	0	37	-2.0	-101.69	329.95	6.67	-95.02
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C(C)C)=C(C)S2)CC1	REAL300013545063	1	47	-2.0	-102.61	377.19	6.97	-95.64
CC1=C(C(C)C)N=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013545064	1	38	-2.0	-98.62	332.09	4.80	-93.82
CC1=C(C(C)C)N=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013545065	1	49	-2.0	-114.42	376.90	6.72	-107.70
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013545066	1	43	-2.0	-102.32	351.52	6.17	-96.15
CC1=C(C(C)C)N=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013545067	1	46	-2.0	-94.62	375.71	6.50	-88.12
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013545068	1	43	-2.0	-97.41	351.30	7.49	-89.92
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013545069	1	44	-2.0	-97.69	367.91	6.91	-90.78
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013545070	1	43	-2.0	-97.54	357.28	5.79	-91.75
CC1=C(C(C)C)N=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013545071	1	43	-2.0	-97.63	355.88	5.74	-91.89
CC1=C(C(C)C)N=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013545072	1	44	-2.0	-110.24	357.83	4.32	-105.92
CC1=C(C(C)C)N=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013545073	1	41	-2.0	-106.88	342.63	3.29	-103.59
CC1=C(C(C)C)N=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013545074	1	41	-2.0	-124.89	342.40	7.04	-117.85
CC1=C(C(C)C)N=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013545075	1	52	-2.0	-92.03	427.88	8.45	-83.58
CC1=C(C(C)C)N=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013545076	1	38	-2.0	-101.65	332.11	5.24	-96.41
CC1=C(C(C)C)N=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013545077	1	44	-2.0	-102.14	361.12	7.40	-94.74
CC1=C(C(C)C)N=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013545078	1	40	-2.0	-99.03	353.25	6.47	-92.56
CC1=C(C(C)C)N=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013545079	1	41	-2.0	-101.20	341.45	6.05	-95.15
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C(C)C)=C(C)S2)C1	REAL300013545080	1	44	-2.0	-100.90	364.94	5.74	-95.16
CC1=C(C(C)C)N=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013545081	0	44	-2.0	-102.95	384.24	8.23	-94.72
CC1=C(C(C)C)N=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013545082	1	38	-2.0	-98.41	331.71	5.26	-93.15
CC1=C(C(C)C)N=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013545083	1	46	-2.0	-117.01	361.04	7.19	-109.82
CN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300013545417	0	33	-2.0	-105.40	341.71	7.15	-98.25
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300013545418	0	36	-2.0	-97.56	364.96	6.07	-91.49
O=C([O-])CCNC(=O)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300013545419	0	30	-2.0	-101.95	321.96	4.50	-97.45
CC(O)(CNC(=O)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013545420	0	34	-2.0	-99.65	350.06	2.78	-96.87
CC(C)(CNC(=O)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013545421	0	36	-2.0	-103.24	356.82	5.96	-97.28
CC(CN(C)C(=O)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013545422	0	36	-2.0	-108.44	356.85	7.73	-100.71
O=C([O-])CCCNC(=O)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300013545423	0	33	-2.0	-95.81	343.46	5.29	-90.52
CC(CNC(=O)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013545424	0	33	-2.0	-102.44	341.32	5.28	-97.16
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC(Cl)=CC(Cl)=C3)S2)CC1	REAL300013545425	0	34	-2.0	-106.90	349.10	6.23	-100.67
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NN=C(C3=CC(Cl)=CC(Cl)=C3)S2)C1	REAL300013545426	0	34	-2.0	-97.15	348.59	5.86	-91.29
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C3=CC(Cl)=CC(Cl)=C3)S2)C1	REAL300013545427	0	34	-2.0	-97.13	348.93	5.86	-91.27
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NN=C(C3=CC(Cl)=CC(Cl)=C3)S2)C1	REAL300013545428	0	34	-2.0	-96.69	348.44	5.91	-90.78
CCC(CNC(=O)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1)C(=O)[O-]	REAL300013545429	0	36	-2.0	-106.18	357.54	6.19	-99.99
CN(CCCC(=O)[O-])C(=O)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300013545430	0	36	-2.0	-106.38	363.21	7.95	-98.43
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(C4=CC(Cl)=CC(Cl)=C4)S3)(C1)C2	REAL300013545431	0	35	-2.0	-100.92	358.67	6.09	-94.83
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NN=C(C3=CC(Cl)=CC(Cl)=C3)S1)C2	REAL300013545432	0	35	-2.0	-100.48	360.34	6.58	-93.90
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC(Cl)=CC(Cl)=C3)S2)CC1	REAL300013545433	0	34	-2.0	-106.90	349.10	6.23	-100.67
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=CC(Cl)=CC(Cl)=C3)S2)C1	REAL300013545434	0	34	-2.0	-101.48	345.34	6.99	-94.49
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(C3=CC(Cl)=CC(Cl)=C3)S1)C2	REAL300013545435	0	35	-2.0	-99.42	359.35	6.61	-92.81
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300013545436	0	36	-2.0	-98.09	363.22	6.29	-91.80
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CC1	REAL300013545437	1	41	-2.0	-101.14	368.57	9.36	-91.78
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013545438	1	43	-2.0	-94.99	377.67	7.42	-87.57
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCO1	REAL300013545439	1	39	-2.0	-104.79	360.17	7.73	-97.06
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013545440	1	37	-2.0	-105.90	349.38	8.35	-97.55
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CC1	REAL300013545441	1	44	-2.0	-99.53	391.53	8.26	-91.27
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013545442	1	40	-2.0	-98.47	372.63	7.27	-91.20
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013545443	1	34	-2.0	-103.05	329.64	5.69	-97.36
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013545444	1	43	-2.0	-95.69	394.13	8.05	-87.64
CC(O)(CNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013545445	1	38	-2.0	-100.92	357.72	3.98	-96.94
CC(C)(CNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013545446	1	40	-2.0	-104.47	365.07	7.15	-97.32
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C1	REAL300013545447	1	41	-2.0	-101.02	371.11	8.71	-92.31
CC(CN(C)C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013545448	1	40	-2.0	-102.04	362.58	8.64	-93.40
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C1	REAL300013545449	1	44	-2.0	-104.69	388.87	9.87	-94.82
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CC1	REAL300013545450	1	44	-2.0	-100.89	380.48	9.54	-91.35
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013545451	1	37	-2.0	-97.15	351.13	6.49	-90.66
CC1CCN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CC1C(=O)[O-]	REAL300013545452	1	44	-2.0	-107.97	386.85	9.83	-98.14
CC(C)(CCNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013545453	1	43	-2.0	-97.10	384.42	7.37	-89.73
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013545454	1	46	-2.0	-109.90	392.03	8.33	-101.57
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCC1	REAL300013545455	1	41	-2.0	-113.93	371.08	7.93	-106.00
CC(CNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013545456	1	37	-2.0	-103.26	347.30	6.43	-96.83
CC(C)C(CNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013545457	1	43	-2.0	-110.83	386.92	7.63	-103.20
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C1	REAL300013545458	1	41	-2.0	-96.55	372.55	7.77	-88.78
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCCC1	REAL300013545459	1	44	-2.0	-110.93	387.82	8.27	-102.66
CC1CN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCC1C(=O)[O-]	REAL300013545460	1	44	-2.0	-101.82	386.89	9.85	-91.97
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CCC(CNC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013545470	1	40	-2.0	-107.82	365.11	7.27	-100.55
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CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013545472	1	40	-2.0	-106.56	370.87	9.16	-97.40
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C1	REAL300013545473	1	44	-2.0	-105.73	383.14	10.01	-95.72
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013545474	1	44	-2.0	-107.23	402.53	8.52	-98.71
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013545475	1	44	-2.0	-105.17	383.25	9.86	-95.31
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CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCO1	REAL300013545487	1	42	-2.0	-104.31	375.66	8.51	-95.80
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C1	REAL300013545488	1	38	-2.0	-102.19	353.40	8.18	-94.01
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CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300013545490	1	40	-2.0	-99.57	370.89	7.48	-92.09
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CC1	REAL300013545491	1	41	-2.0	-104.70	366.36	9.28	-95.42
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013545492	1	43	-2.0	-99.08	375.47	7.34	-91.74
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCO1	REAL300013545493	1	39	-2.0	-108.81	357.97	7.64	-101.17
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013545494	1	37	-2.0	-110.31	347.17	8.27	-102.04
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CC1	REAL300013545495	1	44	-2.0	-103.59	389.33	8.18	-95.41
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O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013545497	1	34	-2.0	-107.00	327.43	5.61	-101.39
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CC(O)(CNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013545499	1	38	-2.0	-104.84	355.52	3.90	-100.94
CC(C)(CNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013545500	1	40	-2.0	-108.44	362.87	7.06	-101.38
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545501	1	41	-2.0	-105.26	370.34	8.69	-96.57
CC(CN(C)C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013545502	1	40	-2.0	-106.70	361.26	8.59	-98.11
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545503	1	44	-2.0	-108.87	386.65	9.78	-99.09
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CC1	REAL300013545504	1	44	-2.0	-105.43	378.28	9.45	-95.98
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013545505	1	37	-2.0	-101.04	348.93	6.40	-94.64
CC1CCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CC1C(=O)[O-]	REAL300013545506	1	44	-2.0	-112.01	384.65	9.75	-102.26
CC(C)(CCNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013545507	1	43	-2.0	-100.93	381.63	7.28	-93.65
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013545508	1	46	-2.0	-115.37	394.52	8.08	-107.29
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCC1	REAL300013545509	1	41	-2.0	-117.76	368.88	7.84	-109.92
CC(CNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013545510	1	37	-2.0	-107.15	345.09	6.35	-100.80
CC(C)C(CNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013545511	1	43	-2.0	-114.49	384.72	7.55	-106.94
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545512	1	41	-2.0	-100.56	370.35	7.68	-92.88
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCCC1	REAL300013545513	1	44	-2.0	-114.72	385.62	8.18	-106.54
CC1CN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCC1C(=O)[O-]	REAL300013545514	1	44	-2.0	-105.39	384.70	9.77	-95.62
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCC1	REAL300013545515	1	41	-2.0	-113.95	369.41	7.75	-106.20
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C1CC1	REAL300013545516	1	44	-2.0	-114.76	394.46	8.39	-106.37
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CC1	REAL300013545517	1	44	-2.0	-105.43	378.28	9.45	-95.98
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CC1	REAL300013545518	1	38	-2.0	-112.78	354.21	7.23	-105.55
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545519	1	38	-2.0	-102.37	354.42	6.96	-95.41
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545520	1	41	-2.0	-110.43	365.16	9.19	-101.24
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545521	1	41	-2.0	-110.48	366.30	9.23	-101.25
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545522	1	38	-2.0	-101.66	353.88	7.01	-94.65
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545523	1	38	-2.0	-101.86	354.23	7.00	-94.86
CCC(CNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013545524	1	40	-2.0	-112.46	362.91	7.18	-105.28
O=C([O-])CCCCCCNC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013545525	1	46	-2.0	-100.41	413.43	8.74	-91.67
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013545526	1	40	-2.0	-111.44	368.67	9.07	-102.37
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545527	1	44	-2.0	-109.81	380.94	9.93	-99.88
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013545528	1	44	-2.0	-111.59	400.32	8.43	-103.16
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013545529	1	44	-2.0	-109.42	381.05	9.77	-99.65
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545530	1	42	-2.0	-108.26	375.26	6.77	-101.49
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)=C1	REAL300013545531	0	38	-2.0	-108.42	363.40	9.13	-99.29
O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(CC4=C(F)C=CC=C4F)S3)(C1)C2	REAL300013545532	1	39	-2.0	-105.37	364.14	7.19	-98.18
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CC1	REAL300013545533	1	44	-2.0	-106.07	383.59	8.57	-97.50
O=C([O-])CC1CCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CC1	REAL300013545534	1	44	-2.0	-101.57	383.35	9.89	-91.68
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545535	1	44	-2.0	-102.67	389.32	8.18	-94.49
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545536	1	44	-2.0	-102.38	384.37	8.59	-93.79
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCOC1	REAL300013545537	1	42	-2.0	-111.90	376.09	5.74	-106.16
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CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)CCO1	REAL300013545541	1	42	-2.0	-108.31	373.51	8.44	-99.87
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300013545542	1	38	-2.0	-106.04	351.20	8.10	-97.94
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CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300013545544	1	40	-2.0	-103.31	368.69	7.40	-95.91
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300013547098	0	40	-2.0	-102.79	357.17	7.99	-94.80
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CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300013547101	0	42	-2.0	-96.72	366.28	6.06	-90.66
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CN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300013547103	0	36	-2.0	-108.35	337.98	6.98	-101.37
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O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2F)S1	REAL300013549331	0	38	-2.0	-112.43	339.89	7.46	-104.97
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CC1(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3F)S2)CCO1	REAL300013549335	0	38	-2.0	-115.68	343.24	6.56	-109.12
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3F)S2)C1	REAL300013549336	0	41	-2.0	-115.33	368.12	6.31	-109.02
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3F)S2)C1	REAL300013549337	0	34	-2.0	-113.77	320.59	6.21	-107.56
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(C3=C(F)C=CC=C3F)S1)C2	REAL300013549338	0	35	-2.0	-111.52	334.56	5.83	-105.69
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3=C(F)C=CC=C3F)S2)CCCCC1	REAL300013549339	0	43	-2.0	-130.71	362.84	7.71	-123.00
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=C(F)C=CC=C2F)S1	REAL300013549340	0	36	-2.0	-110.64	338.44	5.53	-105.11
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549654	1	47	-2.0	-98.81	365.75	8.36	-90.45
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)=C1	REAL300013549655	0	47	-2.0	-95.36	382.42	8.20	-87.16
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C=C1	REAL300013549656	1	47	-2.0	-93.72	386.08	7.61	-86.11
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013549657	1	49	-2.0	-93.22	375.47	6.44	-86.78
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCO1	REAL300013549658	1	45	-2.0	-100.50	355.83	6.67	-93.83
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549659	1	50	-2.0	-96.18	389.32	7.29	-88.89
O=C([O-])CCCCNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013549660	1	46	-2.0	-95.24	370.42	6.29	-88.95
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)=CC=C1	REAL300013549661	1	47	-2.0	-100.85	386.69	7.61	-93.24
O=C([O-])CCNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013549662	1	40	-2.0	-98.82	327.43	4.72	-94.10
O=C([O-])CCCCCNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013549663	1	49	-2.0	-93.26	391.92	7.07	-86.19
CC(O)(CNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013549664	1	44	-2.0	-96.86	355.93	3.06	-93.80
CC(C)(CNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013549665	1	46	-2.0	-99.66	362.28	6.18	-93.48
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)=C1	REAL300013549666	0	50	-2.0	-92.28	403.81	9.01	-83.27
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549667	1	47	-2.0	-97.10	368.91	7.73	-89.37
CC(CN(C)C(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013549668	1	46	-2.0	-104.00	362.31	7.96	-96.04
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549669	1	50	-2.0	-105.11	381.97	9.15	-95.96
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549670	1	50	-2.0	-98.83	378.28	8.56	-90.27
O=C([O-])CCCNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013549671	1	43	-2.0	-94.49	348.93	5.51	-88.98
CC1CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1C(=O)[O-]	REAL300013549672	1	50	-2.0	-102.65	377.07	8.56	-94.09
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCOCC1	REAL300013549673	1	51	-2.0	-107.15	388.40	5.65	-101.50
CC(C)(CCNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013549674	1	49	-2.0	-94.63	381.63	6.39	-88.24
CCC(CC)(CNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013549675	1	52	-2.0	-109.02	394.52	7.19	-101.83
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCC1	REAL300013549676	1	47	-2.0	-111.88	366.83	6.87	-105.01
CC(CNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013549677	1	43	-2.0	-99.31	345.98	5.47	-93.84
CC(C)C(CNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013549678	1	49	-2.0	-107.91	384.71	6.66	-101.25
CC(NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013549679	1	56	-2.0	-102.22	421.17	8.05	-94.17
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O=C([O-])CCC1CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549681	1	53	-2.0	-95.90	405.06	9.75	-86.15
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC(C3CCCCCC3)=CS1)C2	REAL300013549682	1	49	-2.0	-97.41	382.06	6.38	-91.03
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCCC1	REAL300013549683	1	50	-2.0	-108.51	385.61	7.28	-101.23
CC1CN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCC1C(=O)[O-]	REAL300013549684	1	50	-2.0	-99.59	382.59	8.80	-90.79
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCC1	REAL300013549685	1	47	-2.0	-107.96	369.40	6.86	-101.10
O=C([O-])CC(CNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1CC1	REAL300013549686	1	50	-2.0	-106.10	393.83	7.47	-98.63
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549687	1	50	-2.0	-98.83	378.28	8.56	-90.27
CC(C)C[C@H](CNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)CC(=O)[O-]	REAL300013549688	1	55	-2.0	-109.47	414.83	7.86	-101.61
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549689	1	44	-2.0	-108.03	352.53	6.37	-101.66
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013549690	1	47	-2.0	-119.00	379.69	7.71	-111.29
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549691	1	51	-2.0	-111.19	401.91	6.78	-104.41
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549692	1	44	-2.0	-96.60	351.97	5.99	-90.61
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549694	1	47	-2.0	-101.51	365.84	8.32	-93.19
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549695	1	47	-2.0	-101.72	366.14	8.33	-93.39
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549696	1	44	-2.0	-96.34	353.79	6.05	-90.29
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549697	1	44	-2.0	-95.31	353.61	6.09	-89.22
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)=CC=C1	REAL300013549698	1	47	-2.0	-100.85	386.69	7.61	-93.24
CCC(CNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013549699	1	46	-2.0	-105.58	362.91	6.28	-99.30
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013549700	1	53	-2.0	-114.50	399.03	9.68	-104.82
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013549701	1	55	-2.0	-92.43	434.92	8.63	-83.80
O=C([O-])CCCCCCNC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013549702	1	52	-2.0	-93.67	413.42	7.85	-85.82
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549703	1	50	-2.0	-101.30	380.34	9.02	-92.28
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549704	1	54	-2.0	-105.33	412.94	8.21	-97.12
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549705	1	53	-2.0	-99.79	403.86	9.67	-90.12
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC2=CC=CC=C21	REAL300013549706	1	51	-2.0	-121.69	398.00	10.85	-110.84
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549707	1	48	-2.0	-90.43	377.14	6.97	-83.46
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300013549708	1	50	-2.0	-106.09	379.01	8.82	-97.27
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549709	1	48	-2.0	-100.04	374.60	5.84	-94.20
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C2=CC=CC=C21	REAL300013549710	1	51	-2.0	-98.31	407.33	8.76	-89.55
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)=C1	REAL300013549711	0	44	-2.0	-100.47	361.35	8.16	-92.31
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549712	1	54	-2.0	-101.46	409.26	8.49	-92.97
O=C([O-])C12CC(NC(=O)[N-]C3=NC(C4CCCCCC4)=CS3)(C1)C2	REAL300013549713	1	45	-2.0	-97.48	363.53	6.28	-91.20
O=C([O-])CC1(CNC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCCCC1	REAL300013549714	1	56	-2.0	-112.89	410.34	8.27	-104.62
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549715	1	50	-2.0	-101.19	383.43	7.66	-93.53
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549716	1	53	-2.0	-93.98	409.08	8.02	-85.96
O=C([O-])CC1CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549717	1	50	-2.0	-96.64	382.74	8.97	-87.67
O=C([O-])COC1CCN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549718	1	51	-2.0	-96.91	399.34	8.40	-88.51
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549719	1	50	-2.0	-96.30	389.32	7.29	-89.01
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549720	1	50	-2.0	-97.31	384.29	7.69	-89.62
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CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CCO1	REAL300013549727	1	48	-2.0	-100.00	372.90	7.53	-92.47
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C1	REAL300013549728	1	51	-2.0	-99.35	398.37	7.30	-92.05
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CC(C)(C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1)C1=CC=CC=C1	REAL300013549733	1	47	-2.0	-99.65	383.86	9.48	-90.17
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CC(C)(C1=CSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549737	1	45	-2.0	-101.23	375.44	7.86	-93.37
CC(C)(C1=CSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1)C1=CC=CC=C1	REAL300013549738	1	50	-2.0	-97.25	406.82	8.39	-88.86
CC(C)(C1=CSC([N-]C(=O)NCCCCC(=O)[O-])=N1)C1=CC=CC=C1	REAL300013549739	1	46	-2.0	-96.24	387.93	7.40	-88.84
CC(C)(C1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1)C1=CC=CC=C1	REAL300013549740	1	47	-2.0	-101.93	404.19	8.72	-93.21
CC(C)(C1=CSC([N-]C(=O)NCCC(=O)[O-])=N1)C1=CC=CC=C1	REAL300013549741	1	40	-2.0	-99.97	344.93	5.81	-94.16
CC(C)(C1=CSC([N-]C(=O)NCCCCCC(=O)[O-])=N1)C1=CC=CC=C1	REAL300013549742	1	49	-2.0	-94.21	409.43	8.17	-86.04
CC(C)(C1=CSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013549743	1	44	-2.0	-98.08	373.03	4.11	-93.97
CC(C)(CNC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013549744	1	46	-2.0	-101.05	380.37	7.27	-93.78
CC(C)(C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549745	1	47	-2.0	-98.48	387.86	8.89	-89.59
CC(CN(C)C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013549746	1	46	-2.0	-99.55	378.76	8.79	-90.76
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C(C)(C)C3=CC=CC=C3)=CS2)C1	REAL300013549747	1	50	-2.0	-105.57	399.50	10.26	-95.31
CC(C)(C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1)C1=CC=CC=C1	REAL300013549748	1	50	-2.0	-99.42	395.78	9.68	-89.74
CC(C)(C1=CSC([N-]C(=O)NCCCC(=O)[O-])=N1)C1=CC=CC=C1	REAL300013549749	1	43	-2.0	-95.51	366.43	6.61	-88.90
CC1CCN(C(=O)[N-]C2=NC(C(C)(C)C3=CC=CC=C3)=CS2)CC1C(=O)[O-]	REAL300013549750	1	50	-2.0	-104.23	402.16	9.96	-94.27
CC(C)(CCNC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013549751	1	49	-2.0	-95.66	399.71	7.49	-88.17
CCC(CC)(CNC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013549752	1	52	-2.0	-109.71	412.02	8.30	-101.41
CC(C)(C1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1)C1=CC=CC=C1	REAL300013549753	1	47	-2.0	-111.58	386.19	8.11	-103.47
CC(CNC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013549754	1	43	-2.0	-100.37	364.30	6.60	-93.77
CC(C)C(CNC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013549755	1	49	-2.0	-108.47	395.93	7.94	-100.53
CC(C)(C1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549756	1	47	-2.0	-95.29	387.85	7.90	-87.39
CC(C)(C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1)C1=CC=CC=C1	REAL300013549757	1	50	-2.0	-110.52	404.88	8.66	-101.86
CC1CN(C(=O)[N-]C2=NC(C(C)(C)C3=CC=CC=C3)=CS2)CCC1C(=O)[O-]	REAL300013549758	1	50	-2.0	-100.41	402.19	10.00	-90.41
CC(C)(C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1)C1=CC=CC=C1	REAL300013549759	1	47	-2.0	-109.02	386.91	7.97	-101.05
CC(C)(C1=CSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1)C1=CC=CC=C1	REAL300013549760	1	50	-2.0	-107.46	412.63	8.77	-98.69
CC(C)(C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1)C1=CC=CC=C1	REAL300013549761	1	50	-2.0	-99.42	395.78	9.68	-89.74
CC(C)(C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1)C1=CC=CC=C1	REAL300013549762	1	44	-2.0	-108.61	372.07	7.55	-101.06
CC(C)(C1=CSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013549763	1	47	-2.0	-120.14	397.80	8.84	-111.30
CC(C)(C1=CSC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549764	1	44	-2.0	-97.00	371.57	7.17	-89.83
CC(C)(C1=CSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549765	1	47	-2.0	-102.49	382.67	9.40	-93.09
CC(C)(C1=CSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549766	1	47	-2.0	-102.92	383.80	9.46	-93.46
CC(C)(C1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549767	1	44	-2.0	-97.15	371.89	7.17	-89.98
CC(C)(C1=CSC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549768	1	44	-2.0	-96.06	371.79	7.22	-88.84
CC(C)(C1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1)C1=CC=CC=C1	REAL300013549769	1	47	-2.0	-101.93	404.19	8.72	-93.21
CCC(CNC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013549770	1	46	-2.0	-107.49	385.43	7.27	-100.22
CC(C)(C1=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1)C1=CC=CC=C1	REAL300013549771	1	52	-2.0	-94.63	430.92	8.95	-85.68
CC(C)(C1=CSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549772	1	50	-2.0	-102.17	398.45	10.15	-92.02
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013549773	1	50	-2.0	-106.20	398.55	10.00	-96.20
CC(C)(C1=CSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549774	1	48	-2.0	-100.81	392.78	6.99	-93.82
CC(C)(C1=CSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1)C1=CC=CC=C1	REAL300013549775	0	44	-2.0	-101.26	380.89	9.33	-91.93
CC(C)(C1=CSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1)C1=CC=CC=C1	REAL300013549776	1	45	-2.0	-98.44	381.66	7.40	-91.04
CC(C)(C1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1)C1=CC=CC=C1	REAL300013549777	1	50	-2.0	-102.06	401.08	8.78	-93.28
CC(C)(C1=CSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1)C1=CC=CC=C1	REAL300013549778	1	50	-2.0	-97.08	400.85	10.10	-86.98
CC(C)(C1=CSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549779	1	50	-2.0	-97.36	406.84	8.39	-88.97
CC(C)(C1=CSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549780	1	50	-2.0	-97.56	401.88	8.81	-88.75
CC(C)(C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1)C1=CC=CC=C1	REAL300013549781	1	48	-2.0	-106.19	393.57	5.94	-100.25
CC(C)(C1=CSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1)C1=CC=CC=C1	REAL300013549782	1	48	-2.0	-123.94	391.55	9.63	-114.31
CC(C)(C1=CSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1)C1=CC=CC=C1	REAL300013549783	1	45	-2.0	-101.37	383.06	7.90	-93.47
CC(C)(C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1)C1=CC=CC=C1	REAL300013549784	1	44	-2.0	-108.61	372.07	7.55	-101.06
CC(C)(C1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1)C1=CC=CC=C1	REAL300013549785	1	51	-2.0	-101.58	410.60	10.01	-91.57
CC(C)(C1=CSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549786	1	48	-2.0	-100.94	391.00	8.67	-92.27
CC(C)(C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1)C1=CC=CC=C1	REAL300013549787	1	44	-2.0	-99.11	368.70	8.30	-90.81
CC(C)(C1=CSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1)C1=CC=CC=C1	REAL300013549788	1	45	-2.0	-97.89	382.58	7.91	-89.98
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(C(C)(C)C2=CC=CC=C2)=CS1	REAL300013549789	1	46	-2.0	-98.50	386.19	7.61	-90.89
O=C([O-])CCCCNC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013549790	1	46	-2.0	-95.54	386.98	6.88	-88.66
O=C([O-])CCNC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013549791	1	40	-2.0	-99.50	343.98	5.30	-94.20
CC(O)(CNC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013549792	1	44	-2.0	-97.52	372.49	3.65	-93.87
CC(C)(CNC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013549793	1	46	-2.0	-100.51	379.42	6.76	-93.75
CC(CN(C)C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013549794	1	46	-2.0	-98.90	377.81	8.27	-90.63
O=C([O-])CCCNC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013549795	1	43	-2.0	-95.15	365.48	6.10	-89.05
CC(CNC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013549796	1	43	-2.0	-99.61	361.65	6.04	-93.57
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)CC1	REAL300013549797	1	44	-2.0	-109.11	371.13	7.03	-102.08
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)C1	REAL300013549798	1	44	-2.0	-95.74	378.56	6.55	-89.19
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)C1	REAL300013549799	1	44	-2.0	-95.82	378.62	6.54	-89.28
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)C1	REAL300013549800	1	44	-2.0	-95.12	378.08	6.60	-88.52
CCC(CNC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1)C(=O)[O-]	REAL300013549801	1	46	-2.0	-107.42	379.54	6.98	-100.44
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)CC1	REAL300013549802	1	44	-2.0	-109.11	371.13	7.03	-102.08
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)C1	REAL300013549803	1	44	-2.0	-98.72	367.75	7.78	-90.94
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300013549804	1	46	-2.0	-97.82	385.24	7.09	-90.73
O=C([O-])CCCCNC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013549805	1	46	-2.0	-93.96	394.64	6.77	-87.19
O=C([O-])CCNC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013549806	1	40	-2.0	-97.47	351.65	5.19	-92.28
CC(O)(CNC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013549807	1	44	-2.0	-95.63	379.74	3.49	-92.14
CC(C)(CNC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013549808	1	46	-2.0	-98.30	386.50	6.66	-91.64
CC(CN(C)C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013549809	1	46	-2.0	-102.02	385.71	8.41	-93.61
O=C([O-])CCCNC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013549810	1	43	-2.0	-93.26	373.14	5.99	-87.27
CC(CNC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013549811	1	43	-2.0	-97.94	371.00	5.98	-91.96
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)CC1	REAL300013549812	1	44	-2.0	-106.17	378.79	6.93	-99.24
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)C1	REAL300013549813	1	44	-2.0	-94.79	378.23	6.54	-88.25
O=C([O-])C1CC(NC(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)C1	REAL300013549814	1	44	-2.0	-94.75	378.61	6.54	-88.21
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)C1	REAL300013549815	1	44	-2.0	-93.88	378.14	6.59	-87.29
CCC(CNC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1)C(=O)[O-]	REAL300013549816	1	46	-2.0	-103.96	387.12	6.77	-97.19
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)CC1	REAL300013549817	1	44	-2.0	-106.17	378.79	6.93	-99.24
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)C1	REAL300013549818	1	44	-2.0	-97.10	375.03	7.67	-89.43
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300013549819	1	46	-2.0	-96.13	392.90	6.98	-89.15
O=C([O-])C1CCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC1	REAL300013549820	1	44	-2.0	-98.47	353.20	7.94	-90.53
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)=C1	REAL300013549821	0	44	-2.0	-95.13	369.85	7.78	-87.35
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC(C3CCCCC3)=CS2)C=C1	REAL300013549822	1	44	-2.0	-93.46	373.52	7.18	-86.28
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013549823	1	46	-2.0	-93.23	362.30	6.00	-87.23
O=C([O-])C1CN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCO1	REAL300013549824	1	42	-2.0	-100.13	344.78	6.30	-93.83
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC1	REAL300013549825	1	47	-2.0	-96.19	376.16	6.84	-89.35
O=C([O-])CCCCNC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013549826	1	43	-2.0	-95.22	357.26	5.85	-89.37
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(C3CCCCC3)=CS2)=CC=C1	REAL300013549827	1	44	-2.0	-100.86	373.53	7.17	-93.69
O=C([O-])CCCCCNC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013549828	1	46	-2.0	-93.27	378.76	6.63	-86.64
CC(O)(CNC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013549829	1	41	-2.0	-96.79	342.77	2.62	-94.17
CC(C)(CNC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013549830	1	43	-2.0	-99.64	349.12	5.75	-93.89
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)=C1	REAL300013549831	0	47	-2.0	-92.03	391.25	8.59	-83.44
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300013549832	1	44	-2.0	-97.13	355.75	7.29	-89.84
CC(CN(C)C(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013549833	1	43	-2.0	-98.56	348.08	7.24	-91.32
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300013549834	1	47	-2.0	-105.02	368.81	8.71	-96.31
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC1	REAL300013549835	1	47	-2.0	-98.86	365.12	8.12	-90.74
O=C([O-])CCCNC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013549836	1	40	-2.0	-94.49	335.76	5.07	-89.42
CC1CCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC1C(=O)[O-]	REAL300013549837	1	47	-2.0	-102.68	363.88	8.12	-94.56
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCOCC1	REAL300013549838	1	48	-2.0	-106.78	375.85	5.24	-101.54
CC(C)(CCNC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013549839	1	46	-2.0	-94.61	368.46	5.95	-88.66
CCC(CC)(CNC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013549840	1	49	-2.0	-108.98	381.35	6.75	-102.23
O=C([O-])CC1(NC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCC1	REAL300013549841	1	44	-2.0	-111.47	355.71	6.50	-104.97
CC(CNC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013549842	1	40	-2.0	-99.22	332.81	5.03	-94.19
CC(C)C(CNC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013549843	1	46	-2.0	-106.87	365.29	6.35	-100.52
CC(NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013549844	1	53	-2.0	-102.33	410.73	8.22	-94.11
CC(CNC(=O)[N-]C1=NC(C2CCCCC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013549845	1	50	-2.0	-111.40	404.64	8.39	-103.01
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O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC(C3CCCCC3)=CS1)C2	REAL300013549848	1	46	-2.0	-97.35	368.90	5.94	-91.41
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCCC1	REAL300013549849	1	47	-2.0	-109.34	374.22	7.12	-102.22
CC1CN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCC1C(=O)[O-]	REAL300013549850	1	47	-2.0	-99.25	371.53	8.44	-90.81
O=C([O-])C1(CNC(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCC1	REAL300013549851	1	44	-2.0	-107.86	356.24	6.42	-101.44
O=C([O-])CC(CNC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1CC1	REAL300013549852	1	47	-2.0	-105.81	381.26	7.06	-98.75
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC1	REAL300013549853	1	47	-2.0	-98.86	365.12	8.12	-90.74
CC(C)C[C@H](CNC(=O)[N-]C1=NC(C2CCCCC2)=CS1)CC(=O)[O-]	REAL300013549854	1	52	-2.0	-108.23	402.24	7.50	-100.73
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COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300013549857	1	48	-2.0	-110.93	389.34	6.36	-104.57
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CCC(CNC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013549865	1	43	-2.0	-105.51	349.75	5.84	-99.67
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CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300013549869	1	47	-2.0	-101.04	367.77	8.60	-92.44
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300013549870	1	51	-2.0	-105.29	399.78	7.77	-97.52
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CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013549874	1	47	-2.0	-105.58	367.88	8.44	-97.14
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CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCO1	REAL300013549896	1	45	-2.0	-99.78	360.33	7.11	-92.67
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300013549897	1	48	-2.0	-99.31	385.21	6.86	-92.45
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CC(CCC(=O)[O-])NC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300013549902	1	43	-2.0	-97.42	355.52	6.07	-91.35
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CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550496	0	40	-2.0	-100.13	335.54	2.48	-97.65
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CCO1	REAL300013550497	0	36	-2.0	-110.48	318.04	2.77	-107.71
CN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550498	0	34	-2.0	-112.19	307.24	3.40	-108.79
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550499	0	41	-2.0	-105.56	349.40	3.32	-102.24
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550500	0	37	-2.0	-104.05	330.50	2.33	-101.72
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O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550502	0	40	-2.0	-101.00	352.00	3.11	-97.89
CC(O)(CNC(=O)[N-]C1=NN=C(C2CCCO2)S1)C(=O)[O-]	REAL300013550503	0	35	-2.0	-106.20	315.60	-0.96	-107.16
CC(C)(CNC(=O)[N-]C1=NN=C(C2CCCO2)S1)C(=O)[O-]	REAL300013550504	0	37	-2.0	-109.68	322.36	2.21	-107.47
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NN=C(C3CCCO3)S2)=C1	REAL300013550505	0	41	-2.0	-99.54	364.50	5.08	-94.46
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550506	0	38	-2.0	-106.05	328.98	3.77	-102.28
CC(CN(C)C(=O)[N-]C1=NN=C(C2CCCO2)S1)C(=O)[O-]	REAL300013550507	0	37	-2.0	-114.67	321.57	3.95	-110.72
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550508	0	41	-2.0	-108.64	346.71	4.91	-103.73
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550509	0	41	-2.0	-106.48	338.62	4.58	-101.90
O=C([O-])CCCNC(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550510	0	34	-2.0	-102.13	309.00	1.54	-100.59
CC1CCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1C(=O)[O-]	REAL300013550511	0	41	-2.0	-113.86	344.72	4.88	-108.98
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCCO3)S2)CCOCC1	REAL300013550512	0	42	-2.0	-113.44	349.08	1.69	-111.75
CC(C)(CCNC(=O)[N-]C1=NN=C(C2CCCO2)S1)C(=O)[O-]	REAL300013550513	0	40	-2.0	-102.00	341.70	2.41	-99.59
CCC(CC)(CNC(=O)[N-]C1=NN=C(C2CCCO2)S1)C(=O)[O-]	REAL300013550514	0	43	-2.0	-114.80	351.94	3.56	-111.24
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3CCCO3)S2)CCC1	REAL300013550515	0	38	-2.0	-118.96	328.95	2.99	-115.97
CC(CNC(=O)[N-]C1=NN=C(C2CCCO2)S1)C(=O)[O-]	REAL300013550516	0	34	-2.0	-108.98	306.86	1.54	-107.44
CC(C)C(CNC(=O)[N-]C1=NN=C(C2CCCO2)S1)C(=O)[O-]	REAL300013550517	0	40	-2.0	-113.93	339.53	2.80	-111.13
CC(NC(=O)[N-]C1=NN=C(C2CCCO2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013550518	0	47	-2.0	-111.72	381.27	4.06	-107.66
CC(CNC(=O)[N-]C1=NN=C(C2CCCO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013550519	0	44	-2.0	-116.88	372.49	5.10	-111.78
O=C([N-]C1=NN=C(C2CCCO2)S1)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013550520	0	38	-2.0	-101.49	330.43	2.82	-98.67
O=C([O-])CCC1CCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550521	0	44	-2.0	-102.68	365.74	5.81	-96.87
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NN=C(C3CCCO3)S1)C2	REAL300013550522	0	40	-2.0	-120.20	342.83	2.33	-117.87
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCCO3)S2)CCCC1	REAL300013550523	0	41	-2.0	-116.05	347.46	3.60	-112.45
CC1CN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CCC1C(=O)[O-]	REAL300013550524	0	41	-2.0	-106.91	345.05	4.90	-102.01
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCCO3)S2)CCC1	REAL300013550525	0	38	-2.0	-114.19	329.48	2.90	-111.29
O=C([O-])CC(CNC(=O)[N-]C1=NN=C(C2CCCO2)S1)C1CC1	REAL300013550526	0	41	-2.0	-116.19	354.51	3.54	-112.65
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550527	0	41	-2.0	-106.48	338.62	4.58	-101.90
CC(C)C[C@H](CNC(=O)[N-]C1=NN=C(C2CCCO2)S1)CC(=O)[O-]	REAL300013550528	0	46	-2.0	-119.24	375.51	3.93	-115.31
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550529	0	35	-2.0	-113.29	314.64	2.48	-110.81
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550530	0	38	-2.0	-126.72	340.37	3.77	-122.95
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550531	0	42	-2.0	-120.07	362.57	2.85	-117.22
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550532	0	35	-2.0	-103.34	314.70	2.11	-101.23
O=C([O-])CN1CCC(NC(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550533	0	43	-2.0	-100.18	362.50	1.17	-99.01
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550534	0	38	-2.0	-112.25	325.91	4.35	-107.90
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550535	0	38	-2.0	-112.27	326.64	4.37	-107.90
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550536	0	35	-2.0	-103.38	314.46	2.10	-101.28
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550537	0	35	-2.0	-103.23	314.64	2.17	-101.06
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CCC(CNC(=O)[N-]C1=NN=C(C2CCCO2)S1)C(=O)[O-]	REAL300013550539	0	37	-2.0	-112.93	322.99	2.31	-110.62
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550540	0	44	-2.0	-127.67	359.09	5.72	-121.95
O=C([O-])CCCCCCCNC(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550541	0	46	-2.0	-100.21	395.00	4.67	-95.54
O=C([O-])CCCCCCNC(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550542	0	43	-2.0	-102.10	373.50	3.89	-98.21
CN(CCCC(=O)[O-])C(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550543	0	37	-2.0	-113.36	328.74	4.21	-109.15
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550544	0	41	-2.0	-111.74	341.00	5.07	-106.67
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550545	0	45	-2.0	-114.68	371.80	4.87	-109.81
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550546	0	41	-2.0	-111.11	360.43	3.57	-107.54
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550547	0	44	-2.0	-109.77	366.07	5.78	-103.99
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC2=CC=CC=C21	REAL300013550548	0	42	-2.0	-133.43	358.60	6.95	-126.48
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550549	0	39	-2.0	-96.81	338.10	3.02	-93.79
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550550	0	41	-2.0	-109.25	341.12	4.91	-104.34
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C[C@H]1C1=CC=CC=C1	REAL300013550551	0	45	-2.0	-111.19	387.88	6.69	-104.50
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550552	0	39	-2.0	-109.93	335.33	1.90	-108.03
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C3CCCO3)S2)C2=CC=CC=C21	REAL300013550553	0	42	-2.0	-105.55	369.44	4.87	-100.68
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NN=C(C3CCCO3)S2)C1=O	REAL300013550554	0	45	-2.0	-140.56	375.06	3.85	-136.71
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C(C3CCCO3)S2)=C1	REAL300013550555	0	35	-2.0	-109.91	323.76	4.27	-105.64
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550556	0	45	-2.0	-108.52	369.31	4.49	-104.03
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(C4CCCO4)S3)(C1)C2	REAL300013550557	0	36	-2.0	-107.46	324.48	2.33	-105.13
O=C([O-])CC1(CNC(=O)[N-]C2=NN=C(C3CCCO3)S2)CCCCC1	REAL300013550558	0	47	-2.0	-118.65	370.40	4.32	-114.33
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550559	0	41	-2.0	-107.34	345.04	3.72	-103.62
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550560	0	44	-2.0	-100.57	367.82	4.02	-96.55
O=C([O-])CC1CCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550561	0	41	-2.0	-102.33	343.42	5.03	-97.30
O=C([O-])COC1CCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550562	0	42	-2.0	-103.75	360.03	4.45	-99.30
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550563	0	41	-2.0	-103.79	349.39	3.32	-100.47
O=C([O-])C1CCCC(NC(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550564	0	41	-2.0	-103.11	344.44	3.73	-99.38
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCCO3)S2)CCCOC1	REAL300013550565	0	42	-2.0	-115.62	351.34	1.91	-113.71
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCCO3)S2)CCOC1	REAL300013550566	0	39	-2.0	-112.14	336.14	0.88	-111.26
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550567	0	39	-2.0	-133.34	334.15	4.55	-128.79
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NN=C(C3CCCO3)S1)C2	REAL300013550568	0	36	-2.0	-106.94	325.63	2.84	-104.10
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300013550569	0	35	-2.0	-113.29	314.64	2.48	-110.81
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC12CCC2	REAL300013550570	0	42	-2.0	-107.12	354.36	5.00	-102.12
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550571	0	38	-2.0	-107.27	344.78	4.00	-103.27
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CCO1	REAL300013550572	0	39	-2.0	-110.00	333.56	3.57	-106.43
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550573	0	42	-2.0	-109.69	358.54	3.35	-106.34
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NN=C(C4CCCO4)S3)=CC=C21	REAL300013550574	0	42	-2.0	-108.48	376.36	5.78	-102.70
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300013550575	0	35	-2.0	-107.40	311.26	3.23	-104.17
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(C3CCCO3)S1)C2	REAL300013550576	0	36	-2.0	-106.16	325.02	2.82	-103.34
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3CCCO3)S2)CCCCC1	REAL300013550577	0	44	-2.0	-123.35	353.16	4.73	-118.62
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300013550578	0	37	-2.0	-104.40	328.76	2.54	-101.86
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013550909	1	44	-2.0	-110.87	373.71	4.85	-106.02
CCCNC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013550910	0	44	-2.0	-106.77	390.36	4.68	-102.09
CCCNC(=O)CC1=CSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013550911	1	44	-2.0	-104.66	394.04	4.09	-100.57
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013550912	1	46	-2.0	-104.53	382.81	2.90	-101.63
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013550913	1	42	-2.0	-111.32	365.29	3.21	-108.11
CCCNC(=O)CC1=CSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013550914	1	47	-2.0	-107.28	396.67	3.75	-103.53
CCCNC(=O)CC1=CSC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013550915	1	43	-2.0	-106.32	377.78	2.75	-103.57
CCCNC(=O)CC1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013550916	1	44	-2.0	-113.14	394.04	4.07	-109.07
CCCNC(=O)CC1=CSC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013550917	1	37	-2.0	-110.25	334.77	1.17	-109.08
CCCNC(=O)CC1=CSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013550918	1	46	-2.0	-104.40	399.27	3.53	-100.87
CCCNC(=O)CC1=CSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013550919	1	41	-2.0	-108.39	362.87	-0.54	-108.93
CCCNC(=O)CC1=CSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013550920	1	43	-2.0	-111.28	370.21	2.63	-108.65
CCCNC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013550921	0	47	-2.0	-103.28	411.75	5.49	-97.79
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013550922	1	44	-2.0	-108.92	377.66	4.24	-104.68
CCCNC(=O)CC1=CSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013550923	1	43	-2.0	-109.63	368.60	4.14	-105.49
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013550924	1	47	-2.0	-118.03	393.99	5.37	-112.66
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013550925	1	47	-2.0	-109.49	385.60	5.02	-104.47
CCCNC(=O)CC1=CSC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013550926	1	40	-2.0	-105.96	356.28	1.97	-103.99
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013550927	1	47	-2.0	-114.49	391.96	5.31	-109.18
CCCNC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013550928	1	48	-2.0	-118.07	397.32	1.93	-116.14
CCCNC(=O)CC1=CSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013550929	1	46	-2.0	-106.10	389.56	2.85	-103.25
CCCNC(=O)CC1=CSC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N1	REAL300013550930	1	49	-2.0	-119.21	397.16	3.82	-115.39
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013550931	1	44	-2.0	-124.97	376.48	3.27	-121.70
CCCNC(=O)CC1=CSC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013550932	1	40	-2.0	-110.58	354.15	1.96	-108.62
CCCNC(=O)CC1=CSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013550933	1	46	-2.0	-121.03	392.07	3.12	-117.91
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013550934	1	53	-2.0	-114.51	431.23	5.12	-109.39
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013550935	1	44	-2.0	-105.87	377.69	3.25	-102.62
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013550936	1	50	-2.0	-107.52	413.01	6.23	-101.29
CCCNC(=O)CC1=CSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013550937	1	46	-2.0	-108.84	389.40	2.84	-106.00
CCCNC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013550938	1	47	-2.0	-121.68	392.94	3.74	-117.94
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013550939	1	47	-2.0	-108.28	389.03	5.24	-103.04
CCCNC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013550940	1	44	-2.0	-121.21	376.75	3.32	-117.89
CCCNC(=O)CC1=CSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013550941	1	47	-2.0	-116.76	401.79	3.95	-112.81
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013550942	1	47	-2.0	-109.49	385.60	5.02	-104.47
CCCNC(=O)CC1=CSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013550943	1	52	-2.0	-120.08	422.79	4.34	-115.74
CCCNC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013550944	1	41	-2.0	-120.73	361.91	2.91	-117.82
CCCNC(=O)CC1=CSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013550945	1	44	-2.0	-132.29	387.67	4.15	-128.14
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)=N1	REAL300013550946	1	48	-2.0	-121.93	409.82	3.26	-118.67
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013550947	1	41	-2.0	-107.29	361.37	2.53	-104.76
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013550949	1	44	-2.0	-112.62	373.19	4.78	-107.84
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013550950	1	44	-2.0	-113.19	373.63	4.80	-108.39
CCCNC(=O)CC1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013550951	1	41	-2.0	-106.79	361.22	2.58	-104.21
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013550952	1	41	-2.0	-106.19	361.55	2.57	-103.62
CCCNC(=O)CC1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013550953	1	44	-2.0	-113.14	394.04	4.07	-109.07
CCCNC(=O)CC1=CSC([N-]C(=O)NCC(CC)C(=O)[O-])=N1	REAL300013550954	1	43	-2.0	-118.23	375.27	2.64	-115.59
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013550955	1	50	-2.0	-125.37	406.34	6.14	-119.23
CCCNC(=O)CC1=CSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013550956	1	52	-2.0	-103.40	442.27	5.09	-98.31
CCCNC(=O)CC1=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013550957	1	49	-2.0	-104.54	420.77	4.31	-100.23
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013550958	1	47	-2.0	-112.27	388.27	5.49	-106.78
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)=N1	REAL300013550959	1	51	-2.0	-116.37	420.28	4.67	-111.70
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013550960	1	50	-2.0	-110.67	413.28	6.21	-104.46
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013550961	1	45	-2.0	-101.74	385.10	3.45	-98.29
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013550962	1	47	-2.0	-118.48	388.37	5.34	-113.14
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013550963	1	45	-2.0	-110.81	382.59	2.34	-108.47
CCCNC(=O)CC1=CSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013550964	0	41	-2.0	-111.26	370.74	4.69	-106.57
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300013550965	1	51	-2.0	-114.05	416.56	4.94	-109.11
CCCNC(=O)CC1=CSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013550966	1	42	-2.0	-108.50	371.55	2.77	-105.73
CCCNC(=O)CC1=CSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013550967	1	53	-2.0	-123.68	417.69	4.72	-118.96
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013550968	1	47	-2.0	-113.91	390.91	4.13	-109.78
CCCNC(=O)CC1=CSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013550969	1	50	-2.0	-104.78	415.09	4.46	-100.32
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013550970	1	47	-2.0	-108.39	390.70	5.45	-102.94
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013550971	1	48	-2.0	-108.55	407.30	4.88	-103.67
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013550972	1	47	-2.0	-108.09	396.64	3.75	-104.34
CCCNC(=O)CC1=CSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013550973	1	47	-2.0	-107.11	396.13	3.73	-103.38
CCCNC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013550974	1	48	-2.0	-121.87	398.60	2.34	-119.53
CCCNC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013550975	1	45	-2.0	-117.01	383.42	1.30	-115.71
CCCNC(=O)CC1=CSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013550976	1	45	-2.0	-133.83	381.36	4.99	-128.84
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013550977	1	42	-2.0	-112.72	372.90	3.25	-109.47
CCCNC(=O)CC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013550978	1	41	-2.0	-120.73	361.91	2.91	-117.82
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013550979	1	48	-2.0	-113.72	401.60	5.41	-108.31
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013550980	1	45	-2.0	-110.93	380.81	3.99	-106.94
CCCNC(=O)CC1=CSC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013550981	1	48	-2.0	-110.63	405.70	3.76	-106.87
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013550982	1	41	-2.0	-109.64	358.54	3.65	-105.99
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013550983	1	42	-2.0	-108.17	372.46	3.27	-104.90
CCCNC(=O)CC1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013550984	1	50	-2.0	-129.33	400.44	5.15	-124.18
CCCNC(=O)CC1=CSC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013550985	1	43	-2.0	-109.68	376.03	2.97	-106.71
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553072	1	38	-2.0	-105.29	335.41	3.25	-102.04
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)=C1	REAL300013553073	0	38	-2.0	-102.45	352.08	3.10	-99.35
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C=C1	REAL300013553074	1	38	-2.0	-100.10	355.75	2.49	-97.61
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553075	1	40	-2.0	-99.85	344.52	1.31	-98.54
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CCO1	REAL300013553076	1	36	-2.0	-104.95	324.97	1.21	-103.74
CN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553077	1	34	-2.0	-110.68	316.23	2.24	-108.44
O=C([O-])C1CCC(NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553078	1	41	-2.0	-104.07	358.38	2.15	-101.92
O=C([O-])CCCCNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553079	1	37	-2.0	-103.13	339.48	1.16	-101.97
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)=CC=C1	REAL300013553080	1	38	-2.0	-107.44	355.75	2.48	-104.96
O=C([O-])CCNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553081	1	31	-2.0	-107.60	296.48	-0.42	-108.02
O=C([O-])CCCCCNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553082	1	40	-2.0	-100.52	360.98	1.94	-98.58
CC(O)(CNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C(=O)[O-]	REAL300013553083	1	35	-2.0	-105.41	324.99	-2.08	-107.49
CC(C)(CNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C(=O)[O-]	REAL300013553084	1	37	-2.0	-108.68	331.34	1.04	-107.64
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)=C1	REAL300013553085	0	41	-2.0	-99.21	373.48	3.90	-95.31
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553086	1	38	-2.0	-101.82	335.96	2.18	-99.64
CC(CN(C)C(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C(=O)[O-]	REAL300013553087	1	37	-2.0	-112.85	330.56	2.79	-110.06
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553088	1	41	-2.0	-109.13	350.38	3.99	-105.14
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553089	1	41	-2.0	-106.34	347.33	3.42	-102.92
O=C([O-])CCCNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553090	1	34	-2.0	-101.93	317.98	0.37	-101.56
CC1CCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1C(=O)[O-]	REAL300013553091	1	41	-2.0	-106.58	348.05	3.20	-103.38
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CCOCC1	REAL300013553092	1	42	-2.0	-111.63	359.06	0.36	-111.27
CC(C)(CCNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C(=O)[O-]	REAL300013553093	1	40	-2.0	-101.83	350.69	1.23	-100.60
CCC(CC)(CNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C(=O)[O-]	REAL300013553094	1	43	-2.0	-116.50	363.58	2.06	-114.44
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CCC1	REAL300013553095	1	38	-2.0	-117.86	338.21	1.69	-116.17
CC(CNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C(=O)[O-]	REAL300013553096	1	34	-2.0	-108.22	315.03	0.34	-107.88
CC(C)C(CNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C(=O)[O-]	REAL300013553097	1	40	-2.0	-115.64	353.77	1.52	-114.12
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553098	1	38	-2.0	-100.99	339.40	1.56	-99.43
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553099	1	44	-2.0	-102.05	374.72	4.64	-97.41
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC3=C(CS(=O)(=O)CC3)S1)C2	REAL300013553100	1	40	-2.0	-119.16	351.80	1.17	-117.99
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CCCC1	REAL300013553101	1	41	-2.0	-114.98	354.67	2.16	-112.82
CC1CN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CCC1C(=O)[O-]	REAL300013553102	1	41	-2.0	-100.12	345.25	3.50	-96.62
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CCC1	REAL300013553103	1	38	-2.0	-113.92	339.37	1.58	-112.34
O=C([O-])CC(CNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C1CC1	REAL300013553104	1	41	-2.0	-115.08	363.49	2.37	-112.71
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553105	1	41	-2.0	-106.34	347.33	3.42	-102.92
CC(C)C[C@H](CNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1)CC(=O)[O-]	REAL300013553106	1	46	-2.0	-118.18	384.49	2.75	-115.43
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553107	1	35	-2.0	-113.36	323.27	1.20	-112.16
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553108	1	38	-2.0	-125.52	349.35	2.60	-122.92
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553109	1	42	-2.0	-110.98	367.93	1.28	-109.70
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553110	1	35	-2.0	-103.06	323.47	0.93	-102.13
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553112	1	38	-2.0	-110.80	334.21	3.17	-107.63
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553113	1	38	-2.0	-110.82	335.35	3.22	-107.60
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553114	1	35	-2.0	-102.51	322.93	0.98	-101.53
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553115	1	35	-2.0	-99.50	321.24	0.58	-98.92
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)=CC=C1	REAL300013553116	1	38	-2.0	-107.44	355.75	2.48	-104.96
CCC(CNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C(=O)[O-]	REAL300013553117	1	37	-2.0	-114.31	336.98	1.04	-113.27
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553118	1	44	-2.0	-122.87	368.07	4.55	-118.32
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553119	1	46	-2.0	-99.59	403.98	3.50	-96.09
O=C([O-])CCCCCCNC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553120	1	43	-2.0	-101.19	382.48	2.72	-98.47
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553121	1	37	-2.0	-111.90	337.73	3.05	-108.85
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553122	1	41	-2.0	-105.88	347.93	3.51	-102.37
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553123	1	41	-2.0	-112.10	369.41	2.41	-109.69
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553124	1	44	-2.0	-104.32	372.99	4.22	-100.10
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553125	1	39	-2.0	-96.89	346.81	1.86	-95.03
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553126	1	41	-2.0	-110.00	350.11	3.73	-106.27
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553127	1	39	-2.0	-104.69	342.20	0.33	-104.36
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)=C1	REAL300013553128	0	35	-2.0	-108.88	332.45	3.09	-105.79
O=C([O-])C12CC(NC(=O)[N-]C3=NC4=C(CS(=O)(=O)CC4)S3)(C1)C2	REAL300013553129	1	36	-2.0	-105.73	333.19	1.16	-104.57
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553130	1	41	-2.0	-107.78	353.95	2.59	-105.19
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553131	1	44	-2.0	-97.97	374.75	2.46	-95.51
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553132	1	41	-2.0	-102.33	352.41	3.86	-98.47
O=C([O-])COC1CCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553133	1	42	-2.0	-103.03	369.01	3.28	-99.75
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553134	1	41	-2.0	-100.88	356.32	1.75	-99.13
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553135	1	41	-2.0	-103.36	358.38	2.15	-101.21
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CCCOC1	REAL300013553136	1	42	-2.0	-115.54	360.32	0.74	-114.80
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CCOC1	REAL300013553137	1	39	-2.0	-112.57	345.13	-0.29	-112.86
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553138	1	39	-2.0	-130.87	343.50	3.41	-127.46
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC3=C(CS(=O)(=O)CC3)S1)C2	REAL300013553139	1	36	-2.0	-106.89	334.61	1.66	-105.23
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553140	1	35	-2.0	-113.36	323.27	1.20	-112.16
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CC12CCC2	REAL300013553141	1	42	-2.0	-104.61	360.16	3.37	-101.24
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CCO1	REAL300013553142	1	39	-2.0	-104.64	340.49	2.02	-102.62
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553143	1	42	-2.0	-108.43	367.43	2.16	-106.27
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)C1	REAL300013553144	1	35	-2.0	-102.95	317.80	1.66	-101.29
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC3=C(CS(=O)(=O)CC3)S1)C2	REAL300013553145	1	36	-2.0	-105.29	334.21	1.66	-103.63
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(CS(=O)(=O)CC3)S2)CCCCC1	REAL300013553146	1	44	-2.0	-121.44	362.15	3.56	-117.88
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC2=C(CS(=O)(=O)CC2)S1	REAL300013553147	1	37	-2.0	-103.97	337.74	1.37	-102.60
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])CC3)S2)=C1	REAL300013553450	1	45	-2.0	-104.89	385.24	8.51	-96.38
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)S2)=C1	REAL300013553451	0	45	-2.0	-101.53	401.91	8.37	-93.16
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)S2)=C1	REAL300013553452	1	45	-2.0	-98.80	405.58	7.76	-91.04
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S2)=C1	REAL300013553453	1	47	-2.0	-98.85	394.36	6.59	-92.26
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCOC(C(=O)[O-])C3)S2)=C1	REAL300013553454	1	43	-2.0	-109.04	376.82	6.88	-102.16
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)CCC(=O)[O-])S2)=C1	REAL300013553455	1	41	-2.0	-110.48	366.06	7.52	-102.96
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3CCC(C(=O)[O-])CC3)S2)=C1	REAL300013553456	1	48	-2.0	-103.89	408.21	7.43	-96.46
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCCCCC(=O)[O-])S2)=C1	REAL300013553457	1	44	-2.0	-102.54	389.31	6.43	-96.11
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)=C1	REAL300013553458	1	45	-2.0	-106.96	405.58	7.75	-99.21
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCCC(=O)[O-])S2)=C1	REAL300013553459	1	38	-2.0	-107.30	346.32	4.85	-102.45
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCCCCCC(=O)[O-])S2)=C1	REAL300013553460	1	47	-2.0	-99.56	410.81	7.21	-92.35
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S2)=C1	REAL300013553461	1	42	-2.0	-105.10	374.40	3.14	-101.96
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S2)=C1	REAL300013553462	1	44	-2.0	-108.79	381.75	6.31	-102.48
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)S2)=C1	REAL300013553463	1	45	-2.0	-105.12	387.79	7.88	-97.24
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S2)=C1	REAL300013553464	1	44	-2.0	-106.74	380.14	7.83	-98.91
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)S2)=C1	REAL300013553465	1	48	-2.0	-108.04	400.89	9.29	-98.75
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)S2)=C1	REAL300013553466	1	48	-2.0	-105.07	397.16	8.71	-96.36
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCCCC(=O)[O-])S2)=C1	REAL300013553467	1	41	-2.0	-101.11	367.82	5.65	-95.46
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)S2)=C1	REAL300013553468	1	48	-2.0	-112.43	403.53	8.99	-103.44
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S2)=C1	REAL300013553469	1	47	-2.0	-100.89	400.52	6.52	-94.37
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013553470	1	50	-2.0	-115.55	413.41	7.33	-108.22
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(CC(=O)[O-])CCC3)S2)=C1	REAL300013553471	1	45	-2.0	-118.20	387.76	7.09	-111.11
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(C)C(=O)[O-])S2)=C1	REAL300013553472	1	41	-2.0	-107.95	364.86	5.61	-102.34
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S2)=C1	REAL300013553473	1	47	-2.0	-114.62	403.61	6.80	-107.82
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)S2)=C1	REAL300013553474	1	45	-2.0	-100.54	389.23	6.93	-93.61
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCCC3)S2)=C1	REAL300013553475	1	48	-2.0	-115.02	404.51	7.43	-107.59
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)S2)=C1	REAL300013553476	1	48	-2.0	-105.53	403.58	9.02	-96.51
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCC3)S2)=C1	REAL300013553477	1	45	-2.0	-114.20	388.30	7.00	-107.20
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(CC(=O)[O-])C3CC3)S2)=C1	REAL300013553478	1	48	-2.0	-114.80	413.32	7.64	-107.16
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)S2)=C1	REAL300013553479	1	48	-2.0	-105.07	397.16	8.71	-96.36
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)=C1	REAL300013553480	1	42	-2.0	-113.36	373.46	6.59	-106.77
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])S2)=C1	REAL300013553481	1	45	-2.0	-126.40	399.21	7.84	-118.56
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)S2)=C1	REAL300013553482	1	42	-2.0	-102.37	372.89	6.21	-96.16
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)S2)=C1	REAL300013553483	1	45	-2.0	-109.92	384.04	8.44	-101.48
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)S2)=C1	REAL300013553484	1	45	-2.0	-110.12	385.19	8.49	-101.63
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3CC(C(=O)[O-])C3)S2)=C1	REAL300013553485	1	42	-2.0	-101.89	372.76	6.26	-95.63
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)=C1	REAL300013553486	1	42	-2.0	-101.90	372.83	6.26	-95.64
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)=C1	REAL300013553487	1	45	-2.0	-106.96	405.58	7.75	-99.21
CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1)C(=O)[O-]	REAL300013553488	1	44	-2.0	-113.24	386.81	6.31	-106.93
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S2)=C1	REAL300013553489	1	50	-2.0	-100.50	432.31	7.99	-92.51
COC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)CCCC(=O)[O-])S2)=C1	REAL300013553490	1	44	-2.0	-111.26	387.56	8.32	-102.94
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)S2)=C1	REAL300013553491	1	48	-2.0	-110.23	399.81	9.17	-101.06
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300013553492	1	48	-2.0	-110.76	419.21	7.68	-103.08
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(C(=O)[O-])CCC3C)S2)=C1	REAL300013553493	1	48	-2.0	-108.83	399.93	9.02	-99.81
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)S2)=C1	REAL300013553494	1	46	-2.0	-108.36	394.14	6.01	-102.35
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)S2)=C1	REAL300013553495	0	42	-2.0	-108.51	382.28	8.37	-100.14
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)S2)=C1	REAL300013553496	1	43	-2.0	-105.70	383.03	6.44	-99.26
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)S2)=C1	REAL300013553497	1	48	-2.0	-106.49	402.46	7.81	-98.68
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(CC(=O)[O-])CC3)S2)=C1	REAL300013553498	1	48	-2.0	-101.23	402.24	9.12	-92.11
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)S2)=C1	REAL300013553499	1	48	-2.0	-102.79	408.20	7.43	-95.36
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC3CCCC(C(=O)[O-])C3)S2)=C1	REAL300013553500	1	48	-2.0	-102.47	403.79	7.85	-94.62
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCOC3)S2)=C1	REAL300013553501	1	46	-2.0	-111.54	394.96	4.98	-106.56
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)S2)=C1	REAL300013553502	1	46	-2.0	-132.50	392.90	8.67	-123.83
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)=C1	REAL300013553503	1	43	-2.0	-106.13	384.69	6.92	-99.21
COC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)=C1	REAL300013553504	1	42	-2.0	-113.36	373.46	6.59	-106.77
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)S2)=C1	REAL300013553505	1	46	-2.0	-108.59	392.38	7.69	-100.90
COC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])C3)S2)=C1	REAL300013553506	1	42	-2.0	-106.40	370.08	7.34	-99.06
COC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)=C1	REAL300013553507	1	43	-2.0	-103.99	383.70	6.95	-97.04
COC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)CCC(=O)[O-])S2)=C1	REAL300013553508	1	44	-2.0	-103.43	387.57	6.65	-96.78
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013553595	1	44	-2.0	-104.25	369.98	9.51	-94.74
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013553596	0	44	-2.0	-100.84	389.96	9.51	-91.33
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013553597	1	44	-2.0	-98.13	390.30	8.77	-89.36
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013553598	1	46	-2.0	-98.22	379.08	7.59	-90.63
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013553599	1	42	-2.0	-107.93	361.46	7.88	-100.05
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)CCC(=O)[O-])=N1	REAL300013553600	1	40	-2.0	-109.36	350.79	8.52	-100.84
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013553601	1	47	-2.0	-102.67	396.26	8.57	-94.10
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013553602	1	43	-2.0	-101.56	374.04	7.44	-94.12
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013553603	1	44	-2.0	-106.37	393.64	8.89	-97.48
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013553604	1	37	-2.0	-106.30	331.05	5.86	-100.44
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013553605	1	46	-2.0	-98.74	395.54	8.22	-90.52
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013553606	1	41	-2.0	-104.18	359.14	4.15	-100.03
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013553607	1	43	-2.0	-107.71	366.48	7.31	-100.40
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013553608	0	47	-2.0	-97.31	411.36	10.31	-87.00
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013553609	1	44	-2.0	-105.93	374.52	8.83	-97.10
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013553610	1	43	-2.0	-111.68	365.12	9.08	-102.60
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013553611	1	47	-2.0	-108.56	390.23	10.03	-98.53
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013553612	1	47	-2.0	-104.45	381.82	9.71	-94.74
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013553613	1	40	-2.0	-100.42	352.54	6.66	-93.76
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013553614	1	47	-2.0	-110.89	380.65	9.72	-101.17
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013553615	1	48	-2.0	-113.02	395.95	6.95	-106.07
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013553616	1	46	-2.0	-100.26	385.24	7.53	-92.73
CCC(CC)(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013553617	1	49	-2.0	-115.22	398.15	8.34	-106.88
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013553618	1	44	-2.0	-117.79	375.84	8.22	-109.57
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013553619	1	40	-2.0	-106.80	350.40	6.65	-100.15
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013553620	1	46	-2.0	-112.91	383.08	7.91	-105.00
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013553621	1	44	-2.0	-99.38	373.97	7.85	-91.53
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013553622	1	50	-2.0	-100.75	409.28	10.91	-89.84
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013553623	1	46	-2.0	-117.72	389.70	7.55	-110.17
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013553624	1	47	-2.0	-115.71	391.00	8.71	-107.00
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013553625	1	47	-2.0	-101.57	381.90	10.20	-91.37
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013553626	1	44	-2.0	-113.87	373.02	8.01	-105.86
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013553627	1	47	-2.0	-113.72	398.06	8.65	-105.07
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013553628	1	47	-2.0	-104.45	381.82	9.71	-94.74
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013553629	1	52	-2.0	-116.93	419.06	9.04	-107.89
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013553630	1	41	-2.0	-113.13	358.19	7.60	-105.53
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013553631	1	44	-2.0	-125.97	383.91	8.88	-117.09
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3)S2)C1	REAL300013553632	1	48	-2.0	-113.42	403.69	8.49	-104.93
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013553633	1	41	-2.0	-101.93	361.01	7.34	-94.59
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013553635	1	44	-2.0	-109.45	368.80	9.44	-100.01
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013553636	1	44	-2.0	-109.72	369.90	9.49	-100.23
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013553637	1	41	-2.0	-101.87	360.94	7.34	-94.53
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013553638	1	41	-2.0	-101.01	357.76	7.25	-93.76
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013553639	1	44	-2.0	-106.37	393.64	8.89	-97.48
CCC(CNC(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013553640	1	43	-2.0	-111.80	366.53	7.43	-104.37
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013553641	1	50	-2.0	-122.63	405.95	10.96	-111.67
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013553642	1	52	-2.0	-97.83	438.54	9.78	-88.05
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013553643	1	49	-2.0	-99.50	417.04	9.00	-90.50
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N(C)CCCC(=O)[O-])=N1	REAL300013553644	1	43	-2.0	-110.12	372.29	9.33	-100.79
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013553645	1	47	-2.0	-108.96	384.56	10.20	-98.76
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=CC=C2)S1	REAL300013553646	1	47	-2.0	-111.31	403.98	8.69	-102.62
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013553647	1	50	-2.0	-106.53	409.58	10.90	-95.63
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013553648	1	45	-2.0	-95.19	381.29	8.12	-87.07
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013553649	1	47	-2.0	-109.05	384.63	10.03	-99.02
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013553650	1	45	-2.0	-107.24	378.82	7.02	-100.22
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013553651	0	41	-2.0	-107.24	367.01	9.38	-97.86
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013553652	1	42	-2.0	-104.35	367.68	7.44	-96.91
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013553653	1	47	-2.0	-106.05	388.50	8.87	-97.18
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013553654	1	50	-2.0	-98.55	411.37	9.13	-89.42
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013553655	1	47	-2.0	-100.96	386.97	10.13	-90.83
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013553656	1	48	-2.0	-101.78	403.57	9.55	-92.23
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013553657	1	47	-2.0	-102.12	396.25	8.56	-93.56
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013553658	1	47	-2.0	-102.10	388.51	8.86	-93.24
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013553659	1	48	-2.0	-115.27	398.21	7.15	-108.12
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013553660	1	45	-2.0	-111.23	379.69	5.99	-105.24
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013553661	1	45	-2.0	-131.34	378.03	9.69	-121.65
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013553662	1	42	-2.0	-105.80	372.81	8.06	-97.74
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013553663	1	41	-2.0	-113.13	358.19	7.60	-105.53
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013553664	1	48	-2.0	-105.78	396.78	10.06	-95.72
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013553665	1	45	-2.0	-107.42	377.12	8.70	-98.72
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(C)=C(CC3=CC=CC=C3)S2)C1	REAL300013553666	1	48	-2.0	-107.16	405.31	8.57	-98.59
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013553667	1	41	-2.0	-105.84	354.43	8.36	-97.48
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013553668	1	42	-2.0	-103.43	368.36	7.96	-95.47
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013553669	1	50	-2.0	-121.97	400.02	9.97	-112.00
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013553670	1	43	-2.0	-102.91	372.30	7.65	-95.26
O=C([O-])CC1=CC=CC(NC(=O)NC2=CC=NC(C(=O)[O-])=C2)=C1	REAL300013554671	0	34	-2.0	-98.30	309.85	5.93	-92.37
O=C([O-])C1=CC=C(CNC(=O)NC2=CC=NC(C(=O)[O-])=C2)C=C1	REAL300013554672	0	34	-2.0	-102.01	314.00	5.22	-96.79
O=C([O-])C1=CC(NC(=O)NC2CCC(C(=O)[O-])CC2)=CC=N1	REAL300013554673	0	37	-2.0	-102.77	310.88	5.29	-97.48
O=C([O-])C1=CC(CNC(=O)NC2=CC=NC(C(=O)[O-])=C2)=CC=C1	REAL300013554674	0	34	-2.0	-106.19	314.00	5.21	-100.98
O=C([O-])C1=CC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=CC=N1	REAL300013554675	0	44	-2.0	-101.22	362.48	8.76	-92.46
O=C([O-])CCC1=CC=CC(NC(=O)NC2=CC=NC(C(=O)[O-])=C2)=C1	REAL300013554676	0	37	-2.0	-98.11	331.25	6.73	-91.38
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)C1	REAL300013554677	0	37	-2.0	-97.99	311.17	6.16	-91.83
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)CC1	REAL300013554678	0	37	-2.0	-102.92	303.17	5.87	-97.05
CC1CCN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)CC1C(=O)[O-]	REAL300013554679	0	37	-2.0	-99.95	304.81	6.05	-93.90
O=C([O-])C1=CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)=CC=N1	REAL300013554680	0	38	-2.0	-109.35	316.12	3.31	-106.04
CCC(CC)(CNC(=O)NC1=CC=NC(C(=O)[O-])=C1)C(=O)[O-]	REAL300013554681	0	39	-2.0	-101.99	321.60	4.84	-97.15
O=C([O-])C1=CC(NC(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=CC=N1	REAL300013554682	0	45	-2.0	-104.87	368.96	6.37	-98.50
CC(NC(=O)NC1=CC=NC(C(=O)[O-])=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013554683	0	43	-2.0	-128.73	348.56	5.69	-123.04
CC(CNC(=O)NC1=CC=NC(C(=O)[O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013554684	0	40	-2.0	-98.66	340.96	6.68	-91.98
O=C([O-])CCC1CCN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)CC1	REAL300013554685	0	40	-2.0	-100.48	330.70	7.03	-93.45
O=C([O-])C1=CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300013554686	0	36	-2.0	-102.38	308.11	3.76	-98.62
O=C([O-])C1=CC(NC(=O)NCC2(C(=O)[O-])CCCC2)=CC=N1	REAL300013554687	0	37	-2.0	-110.46	314.49	5.21	-105.25
CC1CN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)CCC1C(=O)[O-]	REAL300013554688	0	37	-2.0	-100.41	302.10	6.35	-94.06
O=C([O-])CC(CNC(=O)NC1=CC=NC(C(=O)[O-])=C1)C1CC1	REAL300013554689	0	37	-2.0	-100.98	321.99	5.22	-95.76
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)CC1	REAL300013554690	0	37	-2.0	-102.92	303.17	5.87	-97.05
CC(C)C[C@H](CNC(=O)NC1=CC=NC(C(=O)[O-])=C1)CC(=O)[O-]	REAL300013554691	0	42	-2.0	-100.22	342.16	5.52	-94.70
O=C([O-])C1=CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])=CC=N1	REAL300013554692	0	34	-2.0	-109.92	307.61	5.33	-104.59
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)C1	REAL300013554693	0	38	-2.0	-128.40	326.49	4.30	-124.10
O=C([O-])CN1CCC(NC(=O)NC2=CC=NC(C(=O)[O-])=C2)CC1	REAL300013554694	0	39	-2.0	-98.25	329.37	2.78	-95.47
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3=CC=NC(C(=O)[O-])=C3)C2)C=N1	REAL300013554695	0	44	-2.0	-114.91	368.20	7.05	-107.86
O=C([O-])C1=CC(CNC(=O)NC2=CC=NC(C(=O)[O-])=C2)=CC=C1	REAL300013554696	0	34	-2.0	-106.19	314.00	5.21	-100.98
COC(=O)C1CC2(C1)CN(C(=O)NC1=CC=NC(C(=O)[O-])=C1)CC2C(=O)[O-]	REAL300013554697	0	44	-2.0	-109.97	374.35	7.12	-102.85
O=C([O-])CCC1CCCCN1C(=O)NC1=CC=NC(C(=O)[O-])=C1	REAL300013554698	0	40	-2.0	-145.72	324.64	6.99	-138.73
O=C([O-])CCCCCCCNC(=O)NC1=CC=NC(C(=O)[O-])=C1	REAL300013554699	0	42	-2.0	-100.49	361.99	6.28	-94.21
O=C([O-])CCCCCCNC(=O)NC1=CC=NC(C(=O)[O-])=C1	REAL300013554700	0	39	-2.0	-101.26	340.50	5.50	-95.76
CC1(C(=O)[O-])CCCN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)C1	REAL300013554701	0	37	-2.0	-100.84	305.55	6.35	-94.49
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)C1	REAL300013554702	0	41	-2.0	-105.13	337.94	5.48	-99.65
COCCN(CCC(=O)[O-])C(=O)NC1=CC=NC(C(=O)[O-])=C1	REAL300013554703	0	37	-2.0	-101.35	325.47	4.86	-96.49
O=C([O-])C1=CC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300013554704	0	43	-2.0	-101.90	364.08	7.56	-94.34
O=C([O-])CCC1CCCN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)C1	REAL300013554705	0	40	-2.0	-123.85	330.84	7.05	-116.80
O=C([O-])C1=CC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=CC=N1	REAL300013554706	0	38	-2.0	-106.55	326.57	7.64	-98.91
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)CCO1	REAL300013554707	0	45	-2.0	-98.96	378.84	5.20	-93.76
O=C([O-])C(=O)N1CCN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)CC1	REAL300013554708	0	35	-2.0	-106.58	303.26	4.34	-102.24
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=NC(C(=O)[O-])=C1	REAL300013554709	0	37	-2.0	-106.53	306.41	6.18	-100.35
O=C([O-])C1=CC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=CC=N1	REAL300013554710	0	41	-2.0	-109.55	353.40	8.14	-101.41
O=C([O-])C1=CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)=CC=N1	REAL300013554711	0	35	-2.0	-99.03	300.06	3.19	-95.84
O=C([O-])C1=CC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=CC=N1	REAL300013554712	0	38	-2.0	-100.62	336.68	6.45	-94.17
O=C([O-])CN1CCCCC(NC(=O)NC2=CC=NC(C(=O)[O-])=C2)C1=O	REAL300013554713	0	41	-2.0	-127.01	342.29	5.43	-121.58
O=C([O-])CN1C=NC(NC(=O)NC2=CC=NC(C(=O)[O-])=C2)=C1	REAL300013554714	0	31	-2.0	-123.90	290.50	5.89	-118.01
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)CC1	REAL300013554715	0	41	-2.0	-114.26	334.08	5.78	-108.48
O=C([O-])CC1(CNC(=O)NC2=CC=NC(C(=O)[O-])=C2)CCCCC1	REAL300013554716	0	43	-2.0	-107.55	337.14	5.94	-101.61
O=C([O-])C1=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=CC=N1	REAL300013554717	0	37	-2.0	-103.43	310.65	5.32	-98.11
O=C([O-])C1=CC(NC(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])CC2)=CC=N1	REAL300013554718	0	40	-2.0	-114.21	336.39	5.63	-108.58
O=C([O-])CC1CCN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)CC1	REAL300013554719	0	37	-2.0	-97.49	308.39	6.25	-91.24
O=C([O-])COC1CCN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)CC1	REAL300013554720	0	38	-2.0	-103.95	324.96	5.66	-98.29
O=C([O-])C1=CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=N1	REAL300013554721	0	37	-2.0	-111.70	316.11	4.90	-106.80
O=C([O-])C1=CC(NC(=O)NC2CCCC(C(=O)[O-])C2)=CC=N1	REAL300013554722	0	37	-2.0	-111.77	316.11	4.89	-106.88
O=C([O-])C1=CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)=CC=N1	REAL300013554723	0	38	-2.0	-117.08	321.27	3.79	-113.29
O=C([O-])C1=CC(NC(=O)NCC2(C(=O)[O-])CCOC2)=CC=N1	REAL300013554724	0	35	-2.0	-113.24	303.38	2.45	-110.79
O=C([O-])C1=CC(NC(=O)N2C3CCC2C(C(=O)[O-])C3)=CC=N1	REAL300013554725	0	35	-2.0	-110.56	299.15	6.12	-104.44
CC(C)(CC1=CC=C(CNC(=O)NC2=CC=NC(C(=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300013554726	0	46	-2.0	-100.07	389.21	7.60	-92.47
O=C([O-])C1=CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=CC=N1	REAL300013554727	0	38	-2.0	-106.44	318.57	6.39	-100.05
O=C([O-])C1=CC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=CC=N1	REAL300013554728	0	34	-2.0	-110.04	310.85	5.45	-104.59
CC1(C(=O)[O-])CN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)CCO1	REAL300013554729	0	35	-2.0	-100.79	298.55	4.83	-95.96
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=NC(C(=O)[O-])=C2)C1	REAL300013554730	0	38	-2.0	-103.05	321.78	4.68	-98.37
O=C([O-])CN1C(=O)NC2(CCN(C(=O)NC3=CC=NC(C(=O)[O-])=C3)CC2)C1=O	REAL300013554731	0	43	-2.0	-122.73	369.03	4.19	-118.54
O=C([O-])CN1C=CC2=CC(NC(=O)NC3=CC=NC(C(=O)[O-])=C3)=CC=C21	REAL300013554732	0	38	-2.0	-118.61	343.13	7.42	-111.19
O=C([O-])CC1(NC(=O)NC2=CC=NC(C(=O)[O-])=C2)CCCCC1	REAL300013554733	0	40	-2.0	-101.11	320.70	6.45	-94.66
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])CC1)S2	REAL300013556965	1	44	-2.0	-100.67	350.55	8.61	-92.06
CCC1CCCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC(=O)[O-])=C1)S2	REAL300013556966	0	44	-2.0	-97.32	367.22	8.48	-88.84
CCC1CCCC2=C1N=C([N-]C(=O)NCC1=CC=C(C(=O)[O-])C=C1)S2	REAL300013556967	1	44	-2.0	-95.26	370.89	7.88	-87.38
CCC1CCCC2=C1N=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S2	REAL300013556968	1	46	-2.0	-95.22	359.76	6.68	-88.54
CCC1CCCC2=C1N=C([N-]C(=O)N1CCOC(C(=O)[O-])C1)S2	REAL300013556969	1	42	-2.0	-102.77	342.27	6.99	-95.78
CCC1CCCC2=C1N=C([N-]C(=O)NC1CCC(C(=O)[O-])CC1)S2	REAL300013556970	1	47	-2.0	-98.40	373.51	7.54	-90.86
CCC1CCCC2=C1N=C([N-]C(=O)NCCCCC(=O)[O-])S2	REAL300013556971	1	43	-2.0	-97.47	354.72	6.54	-90.93
CCC1CCCC2=C1N=C([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)S2	REAL300013556972	1	44	-2.0	-102.95	370.89	7.87	-95.08
CCC1CCCC2=C1N=C([N-]C(=O)NCCCCCC(=O)[O-])S2	REAL300013556973	1	46	-2.0	-95.29	376.22	7.32	-87.97
CCC1CCCC2=C1N=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S2	REAL300013556974	1	41	-2.0	-99.47	340.23	3.30	-96.17
CCC1CCCC2=C1N=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S2	REAL300013556975	1	43	-2.0	-102.37	346.58	6.43	-95.94
CCC1CCCC2=C1N=C([N-]C(=O)NC1=CC=CC(CCC(=O)[O-])=C1)S2	REAL300013556976	0	47	-2.0	-93.85	388.36	9.33	-84.52
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(C)(C(=O)[O-])C1)S2	REAL300013556977	1	44	-2.0	-99.77	353.26	7.96	-91.81
CCC1CCCC2=C1N=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S2	REAL300013556978	1	43	-2.0	-106.81	346.60	8.20	-98.61
CCC1CCCC2=C1N=C([N-]C(=O)N1CC(C)CC(C(=O)[O-])C1)S2	REAL300013556979	1	47	-2.0	-106.89	365.61	9.36	-97.53
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)S2	REAL300013556980	1	47	-2.0	-101.04	362.57	8.80	-92.24
CCC1CCCC2=C1N=C([N-]C(=O)NCCCC(=O)[O-])S2	REAL300013556981	1	40	-2.0	-96.84	333.22	5.75	-91.09
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(C)C(C(=O)[O-])C1)S2	REAL300013556982	1	47	-2.0	-104.51	365.35	8.98	-95.53
CCC1CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCOCC1)S2	REAL300013556983	1	48	-2.0	-107.60	374.19	5.74	-101.86
CCC1CCCC2=C1N=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S2	REAL300013556984	1	46	-2.0	-96.84	366.51	6.64	-90.20
CCC1CCCC2=C1N=C([N-]C(=O)NCC(CC)(CC)C(=O)[O-])S2	REAL300013556985	1	49	-2.0	-111.78	378.81	7.44	-104.34
CCC1CCCC2=C1N=C([N-]C(=O)NC1(CC(=O)[O-])CCC1)S2	REAL300013556986	1	44	-2.0	-114.27	353.17	7.18	-107.09
CCC1CCCC2=C1N=C([N-]C(=O)NCC(C)C(=O)[O-])S2	REAL300013556987	1	40	-2.0	-101.52	329.40	5.69	-95.83
CCC1CCCC2=C1N=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S2	REAL300013556988	1	46	-2.0	-110.77	369.01	6.90	-103.87
CCC1CCCC2=C1N=C([N-]C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)S2	REAL300013556989	1	53	-2.0	-104.53	408.30	8.93	-95.60
CCC1CCCC2=C1N=C([N-]C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)S2	REAL300013556990	1	50	-2.0	-114.23	401.99	9.09	-105.14
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)S2	REAL300013556991	1	44	-2.0	-95.92	354.63	6.95	-88.97
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(CCC(=O)[O-])CC1)S2	REAL300013556992	1	50	-2.0	-97.51	389.86	10.01	-87.50
CCC1CCCC2=C1N=C([N-]C(=O)N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)S2	REAL300013556993	1	46	-2.0	-112.87	366.96	6.52	-106.35
CCC1CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCCC1)S2	REAL300013556994	1	47	-2.0	-111.16	369.81	7.54	-103.62
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])C(C)C1)S2	REAL300013556995	1	47	-2.0	-98.31	362.48	9.29	-89.02
CCC1CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCC1)S2	REAL300013556996	1	44	-2.0	-110.53	353.61	7.12	-103.41
CCC1CCCC2=C1N=C([N-]C(=O)NCC(CC(=O)[O-])C1CC1)S2	REAL300013556997	1	47	-2.0	-108.69	378.73	7.74	-100.95
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)S2	REAL300013556998	1	47	-2.0	-101.04	362.57	8.80	-92.24
CCC1CCCC2=C1N=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S2	REAL300013556999	1	52	-2.0	-112.02	399.64	8.14	-103.88
CCC1CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CC1)S2	REAL300013557000	1	41	-2.0	-109.79	338.41	6.59	-103.20
CCC1CCCC2=C1N=C([N-]C(=O)NCC1=CC=CC=C1C(=O)[O-])S2	REAL300013557001	1	44	-2.0	-121.60	364.50	7.99	-113.61
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(COC)(C(=O)[O-])C1)S2	REAL300013557002	1	48	-2.0	-109.33	385.14	7.07	-102.26
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)S2	REAL300013557003	1	41	-2.0	-98.33	338.60	6.32	-92.01
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC[C@@H](C(=O)[O-])C1)S2	REAL300013557005	1	44	-2.0	-104.09	349.35	8.54	-95.55
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC[C@H](C(=O)[O-])C1)S2	REAL300013557006	1	44	-2.0	-104.37	350.50	8.60	-95.77
CCC1CCCC2=C1N=C([N-]C(=O)NC1CC(C(=O)[O-])C1)S2	REAL300013557007	1	41	-2.0	-98.24	338.21	6.32	-91.92
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)S2	REAL300013557008	1	41	-2.0	-97.42	338.23	6.36	-91.06
CCC1CCCC2=C1N=C([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)S2	REAL300013557009	1	44	-2.0	-102.95	370.89	7.87	-95.08
CCC(CNC(=O)[N-]C1=NC2=C(CCCC2CC)S1)C(=O)[O-]	REAL300013557010	1	43	-2.0	-108.21	347.21	6.52	-101.69
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCCC1CCC(=O)[O-])S2	REAL300013557011	1	50	-2.0	-117.01	383.22	9.93	-107.08
CCC1CCCC2=C1N=C([N-]C(=O)NCCCCCCCC(=O)[O-])S2	REAL300013557012	1	52	-2.0	-94.21	419.22	8.88	-85.33
CCC1CCCC2=C1N=C([N-]C(=O)NCCCCCCC(=O)[O-])S2	REAL300013557013	1	49	-2.0	-95.62	397.72	8.10	-87.52
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCC(C)(C(=O)[O-])C1)S2	REAL300013557014	1	47	-2.0	-103.59	364.81	9.29	-94.30
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCC(COC)(C(=O)[O-])C1)S2	REAL300013557015	1	51	-2.0	-107.34	396.88	8.43	-98.91
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCC(CCC(=O)[O-])C1)S2	REAL300013557016	1	50	-2.0	-101.79	390.19	10.00	-91.79
CCC1CCCC2=C1N=C([N-]C(=O)N1CC3=CC=CC=C3C(C(=O)[O-])C1)S2	REAL300013557017	1	48	-2.0	-124.51	382.82	11.12	-113.39
CCC1CCCC2=C1N=C([N-]C(=O)N1CCN(C(=O)C(=O)[O-])CC1)S2	REAL300013557018	1	45	-2.0	-92.16	362.05	7.24	-84.92
CCC1CCCC2=C1N=C([N-]C(=O)N1CC(C(=O)[O-])CCC1C)S2	REAL300013557019	1	47	-2.0	-106.36	365.08	9.16	-97.20
CCC1CCCC2=C1N=C([N-]C(=O)N1C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C1)S2	REAL300013557020	1	51	-2.0	-107.49	412.30	10.99	-96.50
CCC1CCCC2=C1N=C([N-]C(=O)N1CCCC(O)(C(=O)[O-])C1)S2	REAL300013557021	1	45	-2.0	-102.27	359.46	6.11	-96.16
CCC1CCCC2=C1N=C([N-]C(=O)NC1CC(C(=O)[O-])C3=CC=CC=C31)S2	REAL300013557022	1	48	-2.0	-100.12	393.57	9.09	-91.03
CCC1CCCC2=C1N=C([N-]C(=O)NC1CCCCN(CC(=O)[O-])C1=O)S2	REAL300013557023	1	51	-2.0	-130.69	399.19	8.07	-122.62
CCC1CCCC2=C1N=C([N-]C(=O)NC1=CN(CC(=O)[O-])C=N1)S2	REAL300013557024	0	41	-2.0	-102.67	347.59	8.49	-94.18
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(COC)(C(=O)[O-])CC1)S2	REAL300013557025	1	51	-2.0	-103.51	393.54	8.71	-94.80
CCC1CCCC2=C1N=C([N-]C(=O)NC13CC(C(=O)[O-])(C1)C3)S2	REAL300013557026	1	42	-2.0	-99.70	348.34	6.55	-93.15
CCC1CCCC2=C1N=C([N-]C(=O)NCC1(CC(=O)[O-])CCCCC1)S2	REAL300013557027	1	53	-2.0	-98.92	394.24	8.55	-90.37
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)S2	REAL300013557028	1	47	-2.0	-103.56	369.13	7.98	-95.58
CCC1CCCC2=C1N=C([N-]C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)S2	REAL300013557029	1	50	-2.0	-95.37	391.95	8.24	-87.13
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(CC(=O)[O-])CC1)S2	REAL300013557030	1	47	-2.0	-98.15	367.55	9.23	-88.92
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(OCC(=O)[O-])CC1)S2	REAL300013557031	1	48	-2.0	-98.46	384.24	8.64	-89.82
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)S2	REAL300013557032	1	47	-2.0	-98.01	372.99	7.53	-90.48
CCC1CCCC2=C1N=C([N-]C(=O)NC1CCCC(C(=O)[O-])C1)S2	REAL300013557033	1	47	-2.0	-98.43	373.52	7.54	-90.89
CCC1CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCCOC1)S2	REAL300013557034	1	48	-2.0	-111.42	375.46	6.13	-105.29
CCC1CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCOC1)S2	REAL300013557035	1	45	-2.0	-108.06	360.27	5.10	-102.96
CCC1CCCC2=C1N=C([N-]C(=O)N1C3CCC1C(C(=O)[O-])C3)S2	REAL300013557036	1	45	-2.0	-99.54	354.21	8.69	-90.85
CCC1CCCC2=C1N=C([N-]C(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)S2	REAL300013557037	1	42	-2.0	-102.54	349.87	7.04	-95.50
CCC1CCCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CC1)S2	REAL300013557038	1	41	-2.0	-109.79	338.41	6.59	-103.20
CCC1CCCC2=C1N=C([N-]C(=O)N1CC(C(=O)[O-])C3(CCC3)C1)S2	REAL300013557039	1	48	-2.0	-103.11	377.38	9.15	-93.96
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)S2	REAL300013557040	1	44	-2.0	-100.20	369.59	8.21	-91.99
CCC1CCCC2=C1N=C([N-]C(=O)N1CCOC(C)(C(=O)[O-])C1)S2	REAL300013557041	1	45	-2.0	-102.31	357.70	7.80	-94.51
CCC1CCCC2=C1N=C([N-]C(=O)N1CC(OC)CC(C(=O)[O-])C1)S2	REAL300013557042	1	48	-2.0	-101.97	382.58	7.54	-94.43
CCC1CCCC2=C1N=C([N-]C(=O)NC1=CC=C3C(=C1)C=CN3CC(=O)[O-])S2	REAL300013557043	0	48	-2.0	-101.08	400.48	9.98	-91.10
CCC1CCCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])C1)S2	REAL300013557044	1	41	-2.0	-100.69	335.44	7.44	-93.25
CCC1CCCC2=C1N=C([N-]C(=O)N[C@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)S2	REAL300013557045	1	42	-2.0	-99.36	349.36	7.08	-92.28
CCC1CCCC2=C1N=C([N-]C(=O)NC1(CC(=O)[O-])CCCCC1)S2	REAL300013557046	1	50	-2.0	-118.51	377.29	8.94	-109.57
CCC1CCCC2=C1N=C([N-]C(=O)NC(C)CCC(=O)[O-])S2	REAL300013557047	1	43	-2.0	-99.62	352.98	6.75	-92.87
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])CC1)=N2	REAL300013558515	1	47	-2.0	-104.51	372.28	8.92	-95.59
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC(=O)[O-])=C1)=N2	REAL300013558516	0	47	-2.0	-101.05	388.96	8.80	-92.25
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=C(C(=O)[O-])C=C1)=N2	REAL300013558517	1	47	-2.0	-98.31	392.62	8.19	-90.12
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2	REAL300013558518	1	49	-2.0	-98.51	381.40	7.01	-91.50
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCOC(C(=O)[O-])C1)=N2	REAL300013558519	1	45	-2.0	-108.41	363.90	7.31	-101.10
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1CCC(C(=O)[O-])CC1)=N2	REAL300013558520	1	50	-2.0	-103.03	395.25	7.86	-95.17
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCCC(=O)[O-])=N2	REAL300013558521	1	46	-2.0	-101.87	376.36	6.85	-95.02
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)=N2	REAL300013558522	1	47	-2.0	-106.54	392.63	8.17	-98.37
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCCC(=O)[O-])=N2	REAL300013558523	1	40	-2.0	-106.80	333.36	5.28	-101.52
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCCCC(=O)[O-])=N2	REAL300013558524	1	49	-2.0	-99.00	397.86	7.63	-91.37
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2	REAL300013558525	1	44	-2.0	-104.53	361.87	3.62	-100.91
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2	REAL300013558526	1	46	-2.0	-108.00	368.22	6.74	-101.26
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CCC(=O)[O-])=C1)=N2	REAL300013558527	0	50	-2.0	-97.58	410.36	9.60	-87.98
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])C1)=N2	REAL300013558528	1	47	-2.0	-116.89	374.85	8.33	-108.56
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N2	REAL300013558529	1	46	-2.0	-112.30	367.43	8.49	-103.81
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(C)CC(C(=O)[O-])C1)=N2	REAL300013558530	1	50	-2.0	-108.88	391.92	9.42	-99.46
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)=N2	REAL300013558531	1	50	-2.0	-104.88	384.21	9.10	-95.78
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCC(=O)[O-])=N2	REAL300013558532	1	43	-2.0	-100.66	354.86	6.07	-94.59
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)C(C(=O)[O-])C1)=N2	REAL300013558533	1	50	-2.0	-110.53	386.98	9.29	-101.24
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCOCC1)=N2	REAL300013558534	1	51	-2.0	-113.51	394.95	6.23	-107.28
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2	REAL300013558535	1	49	-2.0	-100.53	388.15	6.95	-93.58
CCC(CC)(CNC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013558536	1	52	-2.0	-114.78	395.75	7.92	-106.86
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(CC(=O)[O-])CCC1)=N2	REAL300013558537	1	47	-2.0	-118.42	374.81	7.51	-110.91
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(C)C(=O)[O-])=N2	REAL300013558538	1	43	-2.0	-106.95	351.03	6.02	-100.93
CC(C)C(CNC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013558539	1	49	-2.0	-114.86	390.66	7.23	-107.63
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)=N2	REAL300013558540	1	56	-2.0	-109.22	429.82	9.22	-100.00
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)=N2	REAL300013558541	1	47	-2.0	-99.64	376.28	7.27	-92.37
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(CCC(=O)[O-])CC1)=N2	REAL300013558542	1	53	-2.0	-100.95	411.59	10.31	-90.64
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)=N2	REAL300013558543	1	49	-2.0	-118.43	388.70	6.84	-111.59
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCCC1)=N2	REAL300013558544	1	50	-2.0	-116.34	393.32	8.12	-108.22
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])C(C)C1)=N2	REAL300013558545	1	50	-2.0	-101.96	384.21	9.60	-92.36
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCC1)=N2	REAL300013558546	1	47	-2.0	-114.58	375.35	7.42	-107.16
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC(CC(=O)[O-])C1CC1)=N2	REAL300013558547	1	50	-2.0	-114.49	400.36	8.06	-106.43
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)=N2	REAL300013558548	1	50	-2.0	-104.88	384.21	9.10	-95.78
CC(C)C[C@H](CNC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)CC(=O)[O-]	REAL300013558549	1	55	-2.0	-117.65	421.38	8.45	-109.20
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CC1)=N2	REAL300013558550	1	44	-2.0	-113.81	360.51	7.01	-106.80
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=CC=C1C(=O)[O-])=N2	REAL300013558551	1	47	-2.0	-126.72	386.23	8.30	-118.42
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)C1	REAL300013558552	1	51	-2.0	-113.91	406.00	7.91	-106.00
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)=N2	REAL300013558553	1	44	-2.0	-101.94	360.30	6.63	-95.31
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300013558555	1	47	-2.0	-110.09	371.08	8.85	-101.24
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H](C(=O)[O-])C1)=N2	REAL300013558556	1	47	-2.0	-110.26	372.26	8.90	-101.36
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1CC(C(=O)[O-])C1)=N2	REAL300013558557	1	44	-2.0	-102.04	359.95	6.63	-95.41
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)=N2	REAL300013558558	1	44	-2.0	-101.37	359.80	6.68	-94.69
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)=N2	REAL300013558559	1	47	-2.0	-106.54	392.63	8.17	-98.37
CCC(CNC(=O)[N-]C1=NC2=C(CC(C(C)C)CC2)S1)C(=O)[O-]	REAL300013558560	1	46	-2.0	-113.48	373.86	6.74	-106.74
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCCC1CCC(=O)[O-])=N2	REAL300013558561	1	53	-2.0	-123.83	404.96	10.25	-113.58
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCCCCCC(=O)[O-])=N2	REAL300013558562	1	55	-2.0	-98.08	440.86	9.19	-88.89
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N2	REAL300013558563	1	52	-2.0	-99.69	419.36	8.41	-91.28
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC(C)(C(=O)[O-])C1)=N2	REAL300013558564	1	50	-2.0	-109.55	386.55	9.59	-99.96
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)C1	REAL300013558565	1	54	-2.0	-113.26	418.60	8.75	-104.51
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC(CCC(=O)[O-])C1)=N2	REAL300013558566	1	53	-2.0	-107.05	411.88	10.30	-96.75
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC3=CC=CC=C3C(C(=O)[O-])C1)=N2	REAL300013558567	1	51	-2.0	-116.71	407.33	10.88	-105.83
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCN(C(=O)C(=O)[O-])CC1)=N2	REAL300013558568	1	48	-2.0	-95.41	383.68	7.55	-87.86
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(C(=O)[O-])CCC1C)=N2	REAL300013558569	1	50	-2.0	-109.56	386.98	9.43	-100.13
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)(C(=O)[O-])C1)=N2	REAL300013558570	1	48	-2.0	-107.80	381.19	6.42	-101.38
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1CC(C(=O)[O-])C3=CC=CC=C31)=N2	REAL300013558571	1	51	-2.0	-103.99	415.30	9.40	-94.59
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1=CN(CC(=O)[O-])C=N1)=N2	REAL300013558572	0	44	-2.0	-107.75	369.32	8.79	-98.96
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)CC1	REAL300013558573	1	54	-2.0	-107.37	415.17	9.02	-98.35
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC13CC(C(=O)[O-])(C1)C3)=N2	REAL300013558574	1	45	-2.0	-104.78	370.08	6.86	-97.92
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(CC(=O)[O-])CCCCC1)=N2	REAL300013558575	1	56	-2.0	-121.36	416.27	8.83	-112.53
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)=N2	REAL300013558576	1	50	-2.0	-106.44	390.84	8.28	-98.16
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)=N2	REAL300013558577	1	53	-2.0	-98.78	413.68	8.55	-90.23
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(CC(=O)[O-])CC1)=N2	REAL300013558578	1	50	-2.0	-101.27	389.28	9.53	-91.74
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(OCC(=O)[O-])CC1)=N2	REAL300013558579	1	51	-2.0	-102.00	405.88	8.96	-93.04
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300013558580	1	50	-2.0	-102.44	395.26	7.85	-94.59
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1CCCC(C(=O)[O-])C1)=N2	REAL300013558581	1	50	-2.0	-102.02	390.31	8.26	-93.76
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCCOC1)=N2	REAL300013558582	1	51	-2.0	-115.82	397.20	6.43	-109.39
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCOC1)=N2	REAL300013558583	1	48	-2.0	-111.77	382.01	5.40	-106.37
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1C3CCC1C(C(=O)[O-])C3)=N2	REAL300013558584	1	48	-2.0	-104.69	375.86	9.02	-95.67
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300013558585	1	45	-2.0	-106.06	371.49	7.35	-98.71
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CC1)=N2	REAL300013558586	1	44	-2.0	-113.81	360.51	7.01	-106.80
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CC(C(=O)[O-])C3(CCC3)C1)=N2	REAL300013558587	1	51	-2.0	-106.16	399.09	9.47	-96.69
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCOC(C)(C(=O)[O-])C1)=N2	REAL300013558588	1	48	-2.0	-107.89	379.43	8.11	-99.78
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CC(C(C)C)CC3)S2)C1	REAL300013558589	1	51	-2.0	-107.67	404.40	7.87	-99.80
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])C1)=N2	REAL300013558590	1	44	-2.0	-105.94	357.07	7.77	-98.17
CC(C)C1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300013558591	1	45	-2.0	-103.89	371.09	7.37	-96.52
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1(CC(=O)[O-])CCCCC1)=N2	REAL300013558592	1	53	-2.0	-122.89	399.02	9.25	-113.64
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N2	REAL300013558593	1	46	-2.0	-103.24	374.62	7.07	-96.17
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013558831	1	46	-2.0	-101.51	389.73	7.33	-94.18
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013558832	1	48	-2.0	-96.30	398.85	5.40	-90.90
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013558833	1	44	-2.0	-103.40	381.32	5.71	-97.69
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCCCCC(=O)[O-])=N1	REAL300013558834	1	45	-2.0	-98.60	393.81	5.26	-93.34
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCCC(=O)[O-])=N1	REAL300013558835	1	39	-2.0	-101.83	350.81	3.68	-98.15
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013558836	1	48	-2.0	-96.53	415.31	6.04	-90.49
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013558837	1	43	-2.0	-99.96	378.90	1.97	-97.99
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300013558838	1	45	-2.0	-102.84	385.66	5.14	-97.70
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013558839	1	46	-2.0	-111.34	392.30	6.72	-104.62
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N1	REAL300013558840	1	45	-2.0	-102.00	384.63	6.65	-95.35
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCCCC(=O)[O-])=N1	REAL300013558841	1	42	-2.0	-97.48	372.31	4.48	-93.00
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013558842	1	48	-2.0	-97.57	405.59	5.36	-92.21
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013558843	1	46	-2.0	-114.14	392.26	5.91	-108.23
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCC(C)C(=O)[O-])=N1	REAL300013558844	1	42	-2.0	-102.35	369.37	4.44	-97.91
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013558845	1	48	-2.0	-110.29	408.10	5.62	-104.67
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013558846	1	46	-2.0	-97.35	393.73	5.76	-91.59
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013558847	1	46	-2.0	-110.26	392.79	5.83	-104.43
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013558848	1	43	-2.0	-109.72	377.95	5.42	-104.30
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013558849	1	43	-2.0	-98.91	377.77	5.03	-93.88
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013558850	1	46	-2.0	-104.77	388.54	7.27	-97.50
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013558851	1	46	-2.0	-105.05	389.68	7.32	-97.73
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300013558852	1	43	-2.0	-98.18	377.25	5.08	-93.10
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013558853	1	43	-2.0	-98.14	377.25	5.08	-93.06
CCC(CNC(=O)[N-]C1=NC(COC2=CC=CC=C2OC)=CS1)C(=O)[O-]	REAL300013558854	1	45	-2.0	-109.02	391.31	5.14	-103.88
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013558855	1	44	-2.0	-100.80	387.52	5.26	-95.54
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013558856	1	44	-2.0	-103.02	388.93	5.76	-97.26
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NCC2(C(=O)[O-])CC2)=N1	REAL300013558857	1	43	-2.0	-109.72	377.95	5.42	-104.30
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300013558858	1	43	-2.0	-101.45	374.19	6.16	-95.29
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013558859	1	44	-2.0	-100.16	388.45	5.77	-94.39
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)NC(C)CCC(=O)[O-])=N1	REAL300013558860	1	45	-2.0	-100.37	392.07	5.47	-94.90
O=C([O-])C1CCN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC1	REAL300013559529	1	42	-2.0	-99.22	345.63	6.06	-93.16
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)=C1	REAL300013559530	0	42	-2.0	-95.96	362.30	5.90	-90.06
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C=C1	REAL300013559531	1	42	-2.0	-94.19	365.96	5.30	-88.89
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013559532	1	44	-2.0	-93.89	354.74	4.12	-89.77
O=C([O-])C1CN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCO1	REAL300013559533	1	40	-2.0	-100.69	337.21	4.42	-96.27
CN(CCC(=O)[O-])C(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013559534	1	38	-2.0	-101.92	326.44	5.06	-96.86
O=C([O-])C1CCC(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC1	REAL300013559535	1	45	-2.0	-96.60	368.60	4.96	-91.64
O=C([O-])CCCCNC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013559536	1	41	-2.0	-95.74	349.70	3.97	-91.77
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC(CC3CCOC3)=CS2)=CC=C1	REAL300013559537	1	42	-2.0	-101.54	365.97	5.29	-96.25
O=C([O-])CCCCCNC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013559538	1	44	-2.0	-93.86	371.20	4.75	-89.11
CC(O)(CNC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013559539	1	39	-2.0	-97.47	335.21	0.74	-96.73
CC(C)(CNC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013559540	1	41	-2.0	-100.35	342.14	3.85	-96.50
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)=C1	REAL300013559541	0	45	-2.0	-92.69	383.40	6.76	-85.93
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C1	REAL300013559542	1	42	-2.0	-97.95	349.62	5.46	-92.49
CC(CN(C)C(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013559543	1	41	-2.0	-103.81	340.76	5.61	-98.20
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)C1	REAL300013559544	1	45	-2.0	-106.32	360.59	6.81	-99.51
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC1	REAL300013559545	1	45	-2.0	-99.43	357.55	6.24	-93.19
O=C([O-])CCCNC(=O)[N-]C1=NC(CC2CCOC2)=CS1	REAL300013559546	1	38	-2.0	-95.26	328.20	3.19	-92.07
CC1CCN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC1C(=O)[O-]	REAL300013559547	1	45	-2.0	-103.03	356.35	6.24	-96.79
O=C([O-])C1(CNC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCOCC1	REAL300013559548	1	46	-2.0	-107.63	368.28	3.34	-104.29
CC(C)(CCNC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013559549	1	44	-2.0	-95.43	361.49	4.07	-91.36
CCC(CC)(CNC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013559550	1	47	-2.0	-108.37	369.09	5.03	-103.34
O=C([O-])CC1(NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCC1	REAL300013559551	1	42	-2.0	-112.74	349.09	4.58	-108.16
CC(CNC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013559552	1	38	-2.0	-99.80	326.06	3.18	-96.62
CC(C)C(CNC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013559553	1	44	-2.0	-108.98	363.99	4.34	-104.64
CC(NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013559554	1	51	-2.0	-102.18	403.85	5.31	-96.87
CC(CNC(=O)[N-]C1=NC(CC2CCOC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300013559555	1	48	-2.0	-110.87	391.70	6.75	-104.12
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC(CC3CCOC3)=CS2)C1	REAL300013559556	1	42	-2.0	-95.10	353.51	4.11	-90.99
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC(CC3CCOC3)=CS2)CC1	REAL300013559557	1	48	-2.0	-96.30	384.94	7.45	-88.85
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC(CC3CCOC3)=CS1)C2	REAL300013559558	1	44	-2.0	-97.92	361.33	4.06	-93.86
O=C([O-])C1(CNC(=O)[N-]C2=NC(CC3CCOC3)=CS2)CCCC1	REAL300013559559	1	45	-2.0	-109.42	364.89	4.96	-104.46
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COCCC1=CN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013559668	1	45	-2.0	-105.72	391.24	7.62	-98.10
COCCC1=CN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013559669	1	39	-2.0	-103.21	338.39	2.77	-100.44
COCCC1=CN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013559670	1	42	-2.0	-98.20	368.03	5.49	-92.71
COCCC1=CN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013559671	1	45	-2.0	-131.26	378.13	4.71	-126.55
COCCC1=CN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013559672	0	35	-2.0	-103.26	326.53	5.12	-98.14
COCCC1=CN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)S1	REAL300013559673	1	45	-2.0	-102.76	372.38	5.37	-97.39
COCCC1=CN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013559674	1	36	-2.0	-100.46	327.28	3.19	-97.27
COCCC1=CN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013559675	1	47	-2.0	-112.68	373.47	5.18	-107.50
COCCC1=CN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013559676	1	41	-2.0	-101.43	346.71	4.55	-96.88
COCCC1=CN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013559677	1	44	-2.0	-95.24	372.20	4.91	-90.33
COCCC1=CN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013559678	1	41	-2.0	-96.75	346.49	5.87	-90.88
COCCC1=CN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013559679	1	42	-2.0	-97.86	363.09	5.30	-92.56
COCCC1=CN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013559680	1	41	-2.0	-97.92	352.45	4.17	-93.75
COCCC1=CN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013559681	1	41	-2.0	-97.59	347.51	4.59	-93.00
COCCC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013559682	1	42	-2.0	-110.22	354.40	2.76	-107.46
COCCC1=CN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013559683	1	39	-2.0	-106.53	339.21	1.73	-104.80
COCCC1=CN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013559684	1	39	-2.0	-126.80	337.16	5.42	-121.38
COCCC1=CN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013559685	1	50	-2.0	-92.18	424.46	6.88	-85.30
COCCC1=CN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013559686	1	36	-2.0	-101.44	328.69	3.68	-97.76
COCCC1=CN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013559687	1	42	-2.0	-102.00	357.42	5.85	-96.15
COCCC1=CN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013559688	1	38	-2.0	-106.28	349.09	4.88	-101.40
COCCC1=CN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013559689	1	39	-2.0	-103.40	336.63	4.43	-98.97
COCCC1=CN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013559690	1	42	-2.0	-103.09	361.52	4.19	-98.90
COCCC1=CN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013559691	0	42	-2.0	-104.87	379.43	6.62	-98.25
COCCC1=CN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013559692	1	36	-2.0	-99.51	328.21	3.69	-95.82
COCCC1=CN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013559693	1	44	-2.0	-116.81	356.23	5.59	-111.22
COCCC1=CN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013559694	1	37	-2.0	-98.62	331.82	3.40	-95.22
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013561270	1	47	-2.0	-108.77	389.97	10.14	-98.63
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013561271	0	47	-2.0	-104.47	408.05	10.12	-94.35
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013561272	1	47	-2.0	-101.90	411.92	9.48	-92.42
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013561273	1	49	-2.0	-102.05	400.69	8.30	-93.75
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013561274	1	45	-2.0	-112.66	383.18	8.59	-104.07
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N(C)CCC(=O)[O-])S1	REAL300013561275	1	43	-2.0	-114.00	372.39	9.22	-104.78
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013561276	1	50	-2.0	-106.96	412.89	9.07	-97.89
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013561277	1	46	-2.0	-105.66	395.65	8.14	-97.52
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013561278	1	47	-2.0	-110.62	411.91	9.46	-101.16
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCCC(=O)[O-])S1	REAL300013561279	1	40	-2.0	-111.00	352.65	6.56	-104.44
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013561280	1	49	-2.0	-102.63	417.15	8.92	-93.71
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013561281	1	44	-2.0	-108.66	381.15	4.91	-103.75
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013561282	1	46	-2.0	-112.21	387.50	8.03	-104.18
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013561283	1	47	-2.0	-108.78	394.18	9.57	-99.21
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013561284	1	46	-2.0	-116.42	386.71	9.77	-106.65
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013561285	1	50	-2.0	-113.10	411.87	10.75	-102.35
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013561286	1	50	-2.0	-108.36	401.89	10.34	-98.02
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCCCC(=O)[O-])S1	REAL300013561287	1	43	-2.0	-104.48	374.15	7.36	-97.12
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013561288	1	50	-2.0	-116.21	409.89	10.68	-105.53
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013561289	1	49	-2.0	-104.30	407.43	8.24	-96.06
CCC(CC)(CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=C(C(C)C)S1)C(=O)[O-]	REAL300013561290	1	52	-2.0	-120.44	419.74	9.04	-111.40
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013561291	1	47	-2.0	-120.87	393.73	8.78	-112.09
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC(C)C(=O)[O-])S1	REAL300013561292	1	43	-2.0	-111.47	372.01	7.35	-104.12
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013561293	1	49	-2.0	-117.46	404.68	8.61	-108.85
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013561294	1	47	-2.0	-103.39	393.92	8.48	-94.91
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013561295	1	50	-2.0	-120.88	412.60	9.41	-111.47
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013561296	1	50	-2.0	-105.51	403.50	10.89	-94.62
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013561297	1	47	-2.0	-118.92	392.97	8.64	-110.28
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013561298	1	50	-2.0	-118.42	419.05	9.39	-109.03
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013561299	1	50	-2.0	-108.36	401.89	10.34	-98.02
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013561300	1	44	-2.0	-118.06	379.79	8.30	-109.76
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013561301	1	47	-2.0	-131.98	405.52	9.58	-122.40
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013561302	1	44	-2.0	-106.10	378.01	7.85	-98.25
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013561303	1	47	-2.0	-114.15	390.35	10.14	-104.01
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013561304	1	47	-2.0	-114.68	391.49	10.18	-104.50
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013561305	1	44	-2.0	-105.72	377.56	7.85	-97.87
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013561306	1	44	-2.0	-105.06	379.46	7.96	-97.10
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013561307	1	47	-2.0	-110.62	411.91	9.46	-101.16
CCC(CNC(=O)[N-]C1=NC(C2=CC=CC=C2)=C(C(C)C)S1)C(=O)[O-]	REAL300013561308	1	46	-2.0	-117.47	393.15	8.02	-109.45
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013561309	1	52	-2.0	-103.23	438.64	9.70	-93.53
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N(C)CCCC(=O)[O-])S1	REAL300013561310	1	46	-2.0	-114.29	393.89	10.02	-104.27
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013561311	1	50	-2.0	-113.82	406.16	10.90	-102.92
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC(C2=CC=CC=C2)=C(C(C)C)S1	REAL300013561312	1	50	-2.0	-115.77	425.58	9.38	-106.39
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013561313	1	50	-2.0	-111.54	406.20	10.74	-100.80
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013561314	1	48	-2.0	-111.73	400.49	7.70	-104.03
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013561315	0	44	-2.0	-111.33	388.61	10.08	-101.25
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013561316	1	45	-2.0	-108.87	387.72	8.09	-100.78
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013561317	1	50	-2.0	-110.96	410.12	9.56	-101.40
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013561318	1	50	-2.0	-105.13	408.57	10.82	-94.31
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013561319	1	50	-2.0	-106.39	414.53	9.13	-97.26
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013561320	1	50	-2.0	-105.73	407.94	9.48	-96.25
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013561321	1	48	-2.0	-115.50	399.64	6.62	-108.88
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013561322	1	48	-2.0	-138.38	399.66	10.39	-127.99
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013561323	1	45	-2.0	-110.07	389.45	8.56	-101.51
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013561324	1	44	-2.0	-118.06	379.79	8.30	-109.76
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013561325	1	51	-2.0	-110.05	418.39	10.75	-99.30
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013561326	1	48	-2.0	-112.10	398.71	9.39	-102.71
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013561327	1	44	-2.0	-110.11	376.36	9.05	-101.06
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013561328	1	45	-2.0	-107.53	388.43	8.60	-98.93
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013561329	1	46	-2.0	-107.50	393.90	8.36	-99.14
COCC1=C2N=C([N-]C(=O)N3CCC(C(=O)[O-])CC3)SC2=CC=C1	REAL300013561785	1	41	-2.0	-99.27	350.39	6.50	-92.77
COCC1=C2N=C([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)SC2=CC=C1	REAL300013561786	0	41	-2.0	-95.92	367.06	6.36	-89.56
COCC1=C2N=C([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)SC2=CC=C1	REAL300013561787	1	41	-2.0	-94.37	370.72	5.77	-88.60
COCC1=C2N=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])SC2=CC=C1	REAL300013561788	1	43	-2.0	-93.89	359.50	4.58	-89.31
COCC1=C2N=C([N-]C(=O)N3CCOC(C(=O)[O-])C3)SC2=CC=C1	REAL300013561789	1	39	-2.0	-101.15	342.00	4.88	-96.27
COCC1=C2N=C([N-]C(=O)NC3CCC(C(=O)[O-])CC3)SC2=CC=C1	REAL300013561790	1	44	-2.0	-97.17	373.35	5.43	-91.74
COCC1=C2N=C([N-]C(=O)NCCCCC(=O)[O-])SC2=CC=C1	REAL300013561791	1	40	-2.0	-96.16	354.46	4.43	-91.73
COCC1=C2N=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)SC2=CC=C1	REAL300013561792	1	41	-2.0	-101.57	370.73	5.75	-95.82
COCC1=C2N=C([N-]C(=O)NCCC(=O)[O-])SC2=CC=C1	REAL300013561793	1	34	-2.0	-99.64	311.47	2.85	-96.79
COCC1=C2N=C([N-]C(=O)NCCCCCC(=O)[O-])SC2=CC=C1	REAL300013561794	1	43	-2.0	-94.11	375.96	5.21	-88.90
COCC1=C2N=C([N-]C(=O)NCC(C)(O)C(=O)[O-])SC2=CC=C1	REAL300013561795	1	38	-2.0	-97.73	339.56	1.14	-96.59
COCC1=C2N=C([N-]C(=O)NCC(C)(C)C(=O)[O-])SC2=CC=C1	REAL300013561796	1	40	-2.0	-100.73	346.90	4.30	-96.43
COCC1=C2N=C([N-]C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)SC2=CC=C1	REAL300013561797	0	44	-2.0	-92.87	388.46	7.17	-85.70
COCC1=C2N=C([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)SC2=CC=C1	REAL300013561798	1	41	-2.0	-97.93	352.99	5.86	-92.07
COCC1=C2N=C([N-]C(=O)N(C)CC(C)C(=O)[O-])SC2=CC=C1	REAL300013561799	1	40	-2.0	-99.42	345.29	5.82	-93.60
COCC1=C2N=C([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)SC2=CC=C1	REAL300013561800	1	44	-2.0	-105.01	365.35	7.26	-97.75
COCC1=C2N=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)SC2=CC=C1	REAL300013561801	1	44	-2.0	-99.88	363.09	6.75	-93.13
COCC1=C2N=C([N-]C(=O)NCCCC(=O)[O-])SC2=CC=C1	REAL300013561802	1	37	-2.0	-95.34	332.96	3.65	-91.69
COCC1=C2N=C([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)SC2=CC=C1	REAL300013561803	1	44	-2.0	-103.58	361.07	6.70	-96.88
COCC1=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CCOCC3)SC2=CC=C1	REAL300013561804	1	45	-2.0	-105.27	374.03	3.63	-101.64
COCC1=C2N=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])SC2=CC=C1	REAL300013561805	1	43	-2.0	-95.43	365.66	4.52	-90.91
CCC(CC)(CNC(=O)[N-]C1=NC2=C(COC)C=CC=C2S1)C(=O)[O-]	REAL300013561806	1	46	-2.0	-109.32	378.56	5.33	-103.99
COCC1=C2N=C([N-]C(=O)NC3(CC(=O)[O-])CCC3)SC2=CC=C1	REAL300013561807	1	41	-2.0	-111.96	352.91	5.08	-106.88
COCC1=C2N=C([N-]C(=O)NCC(C)C(=O)[O-])SC2=CC=C1	REAL300013561808	1	37	-2.0	-100.07	330.82	3.64	-96.43
COCC1=C2N=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)SC2=CC=C1	REAL300013561809	1	43	-2.0	-108.36	368.75	4.80	-103.56
COCC1=C2N=C([N-]C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)SC2=CC=C1	REAL300013561810	1	50	-2.0	-103.00	408.36	6.78	-96.22
COCC1=C2N=C([N-]C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)SC2=CC=C1	REAL300013561811	1	47	-2.0	-110.09	396.46	7.21	-102.88
COCC1=C2N=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)SC2=CC=C1	REAL300013561812	1	41	-2.0	-94.55	354.38	4.84	-89.71
COCC1=C2N=C([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)SC2=CC=C1	REAL300013561813	1	47	-2.0	-96.48	389.69	7.89	-88.59
COCC1=C2N=C([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)SC2=CC=C1	REAL300013561814	1	43	-2.0	-110.67	366.79	4.41	-106.26
COCC1=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CCCC3)SC2=CC=C1	REAL300013561815	1	44	-2.0	-108.72	369.65	5.43	-103.29
COCC1=C2N=C([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)SC2=CC=C1	REAL300013561816	1	44	-2.0	-96.99	362.29	7.18	-89.81
COCC1=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CCC3)SC2=CC=C1	REAL300013561817	1	41	-2.0	-108.03	353.44	5.00	-103.03
COCC1=C2N=C([N-]C(=O)NCC(CC(=O)[O-])C3CC3)SC2=CC=C1	REAL300013561818	1	44	-2.0	-106.50	378.47	5.64	-100.86
COCC1=C2N=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)SC2=CC=C1	REAL300013561819	1	44	-2.0	-99.88	363.09	6.75	-93.13
COCC1=C2N=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)SC2=CC=C1	REAL300013561820	1	49	-2.0	-109.89	399.47	6.03	-103.86
COCC1=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CC3)SC2=CC=C1	REAL300013561821	1	38	-2.0	-107.29	338.24	4.48	-102.81
COCC1=C2N=C([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])SC2=CC=C1	REAL300013561822	1	41	-2.0	-118.80	364.33	5.87	-112.93
COCC1=C2N=C([N-]C(=O)N3CCC(COC)(C(=O)[O-])C3)SC2=CC=C1	REAL300013561823	1	45	-2.0	-107.36	384.97	4.96	-102.40
COCC1=C2N=C([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)SC2=CC=C1	REAL300013561824	1	38	-2.0	-96.79	338.04	4.21	-92.58
COCC1=C2N=C([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)SC2=CC=C1	REAL300013561826	1	41	-2.0	-102.33	349.19	6.43	-95.90
COCC1=C2N=C([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)SC2=CC=C1	REAL300013561827	1	41	-2.0	-102.63	350.33	6.47	-96.16
COCC1=C2N=C([N-]C(=O)NC3CC(C(=O)[O-])C3)SC2=CC=C1	REAL300013561828	1	38	-2.0	-96.77	338.04	4.21	-92.56
COCC1=C2N=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)SC2=CC=C1	REAL300013561829	1	38	-2.0	-95.88	338.26	4.25	-91.63
COCC1=C2N=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)SC2=CC=C1	REAL300013561830	1	41	-2.0	-101.57	370.73	5.75	-95.82
CCC(CNC(=O)[N-]C1=NC2=C(COC)C=CC=C2S1)C(=O)[O-]	REAL300013561831	1	40	-2.0	-105.82	346.95	4.42	-101.40
COCC1=C2N=C([N-]C(=O)N3CCCCC3CCC(=O)[O-])SC2=CC=C1	REAL300013561832	1	47	-2.0	-115.30	383.39	7.83	-107.47
COCC1=C2N=C([N-]C(=O)NCCCCCCCC(=O)[O-])SC2=CC=C1	REAL300013561833	1	49	-2.0	-93.25	418.96	6.77	-86.48
COCC1=C2N=C([N-]C(=O)NCCCCCCC(=O)[O-])SC2=CC=C1	REAL300013561834	1	46	-2.0	-94.53	397.46	5.99	-88.54
COCC1=C2N=C([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)SC2=CC=C1	REAL300013561835	1	44	-2.0	-101.94	364.65	7.17	-94.77
COCC1=C2N=C([N-]C(=O)N3CCCC(COC)(C(=O)[O-])C3)SC2=CC=C1	REAL300013561836	1	48	-2.0	-105.60	396.71	6.32	-99.28
COCC1=C2N=C([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)SC2=CC=C1	REAL300013561837	1	47	-2.0	-100.49	390.02	7.88	-92.61
COCC1=C2N=C([N-]C(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)SC2=CC=C1	REAL300013561838	1	45	-2.0	-121.89	382.55	9.00	-112.89
COCC1=C2N=C([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)SC2=CC=C1	REAL300013561839	1	42	-2.0	-91.30	362.17	5.22	-86.08
COCC1=C2N=C([N-]C(=O)N3CC(C(=O)[O-])CCC3C)SC2=CC=C1	REAL300013561840	1	44	-2.0	-104.66	364.92	7.03	-97.63
COCC1=C2N=C([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)SC2=CC=C1	REAL300013561841	1	42	-2.0	-100.67	359.29	4.00	-96.67
COCC1=C2N=C([N-]C(=O)NC3CC(C(=O)[O-])C4=CC=CC=C43)SC2=CC=C1	REAL300013561842	1	45	-2.0	-97.29	388.97	6.76	-90.53
COCC1=C2N=C([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)SC2=CC=C1	REAL300013561843	0	38	-2.0	-101.03	347.43	6.36	-94.67
COCC1=C2N=C([N-]C(=O)N3CCC(COC)(C(=O)[O-])CC3)SC2=CC=C1	REAL300013561844	1	48	-2.0	-102.15	393.27	6.61	-95.54
COCC1=C2N=C([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)SC2=CC=C1	REAL300013561845	1	39	-2.0	-98.37	348.17	4.44	-93.93
COCC1=C2N=C([N-]C(=O)NCC3(CC(=O)[O-])CCCCC3)SC2=CC=C1	REAL300013561846	1	50	-2.0	-97.28	394.07	6.43	-90.85
COCC1=C2N=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)SC2=CC=C1	REAL300013561847	1	44	-2.0	-101.66	367.61	5.81	-95.85
COCC1=C2N=C([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)SC2=CC=C1	REAL300013561848	1	47	-2.0	-94.90	393.11	6.16	-88.74
COCC1=C2N=C([N-]C(=O)N3CCC(CC(=O)[O-])CC3)SC2=CC=C1	REAL300013561849	1	44	-2.0	-96.90	367.38	7.11	-89.79
COCC1=C2N=C([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)SC2=CC=C1	REAL300013561850	1	45	-2.0	-97.41	383.98	6.54	-90.87
COCC1=C2N=C([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)SC2=CC=C1	REAL300013561851	1	44	-2.0	-96.99	373.36	5.43	-91.56
COCC1=C2N=C([N-]C(=O)NC3CCCC(C(=O)[O-])C3)SC2=CC=C1	REAL300013561852	1	44	-2.0	-96.98	373.35	5.43	-91.55
COCC1=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)SC2=CC=C1	REAL300013561853	1	45	-2.0	-108.82	375.30	4.02	-104.80
COCC1=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CCOC3)SC2=CC=C1	REAL300013561854	1	42	-2.0	-105.75	360.11	2.98	-102.77
COCC1=C2N=C([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)SC2=CC=C1	REAL300013561855	1	42	-2.0	-124.03	358.47	6.68	-117.35
COCC1=C2N=C([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)SC2=CC=C1	REAL300013561856	1	39	-2.0	-100.91	349.58	4.93	-95.98
COCC1=C2N=C([N-]C(=O)NCC3(C(=O)[O-])CC3)SC2=CC=C1	REAL300013561857	1	38	-2.0	-107.29	338.24	4.48	-102.81
COCC1=C2N=C([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)SC2=CC=C1	REAL300013561858	1	45	-2.0	-101.18	377.20	7.04	-94.14
COCC1=C2N=C([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)SC2=CC=C1	REAL300013561859	1	42	-2.0	-100.73	357.53	5.68	-95.05
COCC1=C2N=C([N-]C(=O)N3CC(OC)CC(C(=O)[O-])C3)SC2=CC=C1	REAL300013561860	1	45	-2.0	-100.26	382.40	5.43	-94.83
COCC1=C2N=C([N-]C(=O)N3CCC(C(=O)[O-])C3)SC2=CC=C1	REAL300013561861	1	38	-2.0	-98.85	335.17	5.34	-93.51
COCC1=C2N=C([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)SC2=CC=C1	REAL300013561862	1	39	-2.0	-98.02	349.18	4.95	-93.07
COCC1=C2N=C([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)SC2=CC=C1	REAL300013561863	1	47	-2.0	-115.91	377.12	6.83	-109.08
COCC1=C2N=C([N-]C(=O)NC(C)CCC(=O)[O-])SC2=CC=C1	REAL300013561864	1	40	-2.0	-98.10	352.72	4.65	-93.45
COC1=CC=C2SC([N-]C(=O)N3CCC(C(=O)[O-])CC3)=NC2=C1	REAL300013561865	1	38	-2.0	-100.70	327.16	5.87	-94.83
COC1=CC=C2SC([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)=NC2=C1	REAL300013561866	0	38	-2.0	-97.31	343.83	5.74	-91.57
COC1=CC=C2SC([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=NC2=C1	REAL300013561867	1	38	-2.0	-95.89	347.50	5.14	-90.75
COC1=CC=C2SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=NC2=C1	REAL300013561868	1	40	-2.0	-95.35	336.27	3.96	-91.39
COC1=CC=C2SC([N-]C(=O)N3CCOC(C(=O)[O-])C3)=NC2=C1	REAL300013561869	1	36	-2.0	-102.03	318.78	4.26	-97.77
COC1=CC=C2SC([N-]C(=O)N(C)CCC(=O)[O-])=NC2=C1	REAL300013561870	1	34	-2.0	-103.35	307.98	4.89	-98.46
COC1=CC=C2SC([N-]C(=O)NC3CCC(C(=O)[O-])CC3)=NC2=C1	REAL300013561871	1	41	-2.0	-98.26	350.12	4.80	-93.46
COC1=CC=C2SC([N-]C(=O)NCCCCC(=O)[O-])=NC2=C1	REAL300013561872	1	37	-2.0	-97.33	331.23	3.81	-93.52
COC1=CC=C2SC([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=NC2=C1	REAL300013561873	1	38	-2.0	-103.09	347.50	5.13	-97.96
COC1=CC=C2SC([N-]C(=O)NCCCCCC(=O)[O-])=NC2=C1	REAL300013561874	1	40	-2.0	-95.54	352.73	4.59	-90.95
COC1=CC=C2SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=NC2=C1	REAL300013561875	1	35	-2.0	-98.83	316.33	0.52	-98.31
COC1=CC=C2SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=NC2=C1	REAL300013561876	1	37	-2.0	-101.49	323.10	3.69	-97.80
COC1=CC=C2SC([N-]C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)=NC2=C1	REAL300013561877	0	41	-2.0	-94.30	365.23	6.55	-87.75
COC1=CC=C2SC([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)=NC2=C1	REAL300013561878	1	38	-2.0	-99.09	329.77	5.24	-93.85
COC1=CC=C2SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=NC2=C1	REAL300013561879	1	37	-2.0	-105.28	322.30	5.44	-99.84
COC1=CC=C2SC([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)=NC2=C1	REAL300013561880	1	41	-2.0	-107.33	347.45	6.42	-100.91
COC1=CC=C2SC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=NC2=C1	REAL300013561881	1	41	-2.0	-101.36	339.86	6.13	-95.23
COC1=CC=C2SC([N-]C(=O)NCCCC(=O)[O-])=NC2=C1	REAL300013561882	1	34	-2.0	-96.67	309.74	3.03	-93.64
COC1=CC=C2SC([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)=NC2=C1	REAL300013561883	1	41	-2.0	-104.86	345.48	6.35	-98.51
COC1=CC=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCOCC3)=NC2=C1	REAL300013561884	1	42	-2.0	-106.87	350.81	3.01	-103.86
COC1=CC=C2SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=NC2=C1	REAL300013561885	1	40	-2.0	-96.82	342.44	3.90	-92.92
CCC(CC)(CNC(=O)[N-]C1=NC2=CC(OC)=CC=C2S1)C(=O)[O-]	REAL300013561886	1	43	-2.0	-110.68	355.33	4.71	-105.97
COC1=CC=C2SC([N-]C(=O)NC3(CC(=O)[O-])CCC3)=NC2=C1	REAL300013561887	1	38	-2.0	-113.16	329.68	4.46	-108.70
COC1=CC=C2SC([N-]C(=O)NCC(C)C(=O)[O-])=NC2=C1	REAL300013561888	1	34	-2.0	-101.06	306.78	2.99	-98.07
COC1=CC=C2SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=NC2=C1	REAL300013561889	1	40	-2.0	-109.75	345.52	4.17	-105.58
COC1=CC=C2SC([N-]C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=NC2=C1	REAL300013561890	1	47	-2.0	-104.30	384.81	6.20	-98.10
COC1=CC=C2SC([N-]C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=NC2=C1	REAL300013561891	1	44	-2.0	-113.08	378.61	6.35	-106.73
COC1=CC=C2SC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=NC2=C1	REAL300013561892	1	38	-2.0	-96.00	331.15	4.21	-91.79
COC1=CC=C2SC([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)=NC2=C1	REAL300013561893	1	44	-2.0	-98.06	366.47	7.28	-90.78
COC1=CC=C2SC([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=NC2=C1	REAL300013561894	1	40	-2.0	-111.73	343.56	3.78	-107.95
COC1=CC=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCCC3)=NC2=C1	REAL300013561895	1	41	-2.0	-110.32	346.43	4.81	-105.51
COC1=CC=C2SC([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)=NC2=C1	REAL300013561896	1	41	-2.0	-98.58	339.09	6.56	-92.02
COC1=CC=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCC3)=NC2=C1	REAL300013561897	1	38	-2.0	-109.48	331.12	4.23	-105.25
COC1=CC=C2SC([N-]C(=O)NCC(CC(=O)[O-])C3CC3)=NC2=C1	REAL300013561898	1	41	-2.0	-107.39	355.25	5.02	-102.37
COC1=CC=C2SC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=NC2=C1	REAL300013561899	1	41	-2.0	-101.36	339.86	6.13	-95.23
COC1=CC=C2SC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=NC2=C1	REAL300013561900	1	46	-2.0	-109.92	376.26	5.45	-104.47
COC1=CC=C2SC([N-]C(=O)NCC3(C(=O)[O-])CC3)=NC2=C1	REAL300013561901	1	35	-2.0	-109.04	315.02	3.85	-105.19
COC1=CC=C2SC([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])=NC2=C1	REAL300013561902	1	38	-2.0	-120.01	341.11	5.25	-114.76
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC(OC)=CC=C3S2)C1	REAL300013561903	1	42	-2.0	-108.26	361.75	4.33	-103.93
COC1=CC=C2SC([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=NC2=C1	REAL300013561904	1	35	-2.0	-98.17	315.20	3.58	-94.59
COC1=CC=C2SC([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)=NC2=C1	REAL300013561906	1	38	-2.0	-103.22	325.93	5.81	-97.41
COC1=CC=C2SC([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)=NC2=C1	REAL300013561907	1	38	-2.0	-103.47	327.11	5.86	-97.61
COC1=CC=C2SC([N-]C(=O)NC3CC(C(=O)[O-])C3)=NC2=C1	REAL300013561908	1	35	-2.0	-98.21	314.82	3.58	-94.63
COC1=CC=C2SC([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=NC2=C1	REAL300013561909	1	35	-2.0	-97.33	314.76	3.64	-93.69
COC1=CC=C2SC([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=NC2=C1	REAL300013561910	1	38	-2.0	-103.09	347.50	5.13	-97.96
CCC(CNC(=O)[N-]C1=NC2=CC(OC)=CC=C2S1)C(=O)[O-]	REAL300013561911	1	37	-2.0	-108.61	328.74	3.69	-104.92
COC1=CC=C2SC([N-]C(=O)N3CCCCC3CCC(=O)[O-])=NC2=C1	REAL300013561912	1	44	-2.0	-115.67	359.83	7.19	-108.48
COC1=CC=C2SC([N-]C(=O)NCCCCCCCC(=O)[O-])=NC2=C1	REAL300013561913	1	46	-2.0	-94.65	395.73	6.15	-88.50
COC1=CC=C2SC([N-]C(=O)NCCCCCCC(=O)[O-])=NC2=C1	REAL300013561914	1	43	-2.0	-95.75	374.23	5.37	-90.38
COC1=CC=C2SC([N-]C(=O)N(C)CCCC(=O)[O-])=NC2=C1	REAL300013561915	1	37	-2.0	-105.39	329.48	5.69	-99.70
COC1=CC=C2SC([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)=NC2=C1	REAL300013561916	1	41	-2.0	-102.78	341.42	6.55	-96.23
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=CC(OC)=CC=C3S2)C1	REAL300013561917	1	45	-2.0	-106.48	373.48	5.71	-100.77
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=CC(OC)=CC=C2S1	REAL300013561918	1	41	-2.0	-110.74	361.17	5.05	-105.69
COC1=CC=C2SC([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)=NC2=C1	REAL300013561919	1	44	-2.0	-101.34	366.80	7.26	-94.08
COC1=CC=C2SC([N-]C(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)=NC2=C1	REAL300013561920	1	42	-2.0	-109.13	362.21	7.84	-101.29
COC1=CC=C2SC([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)=NC2=C1	REAL300013561921	1	39	-2.0	-92.87	338.95	4.60	-88.27
COC1=CC=C2SC([N-]C(=O)N3CC(C(=O)[O-])CCC3C)=NC2=C1	REAL300013561922	1	41	-2.0	-106.95	341.70	6.41	-100.54
COC1=CC=C2SC([N-]C(=O)N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=NC2=C1	REAL300013561923	1	45	-2.0	-107.06	388.90	8.24	-98.82
COC1=CC=C2SC([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)=NC2=C1	REAL300013561924	1	39	-2.0	-101.64	336.06	3.38	-98.26
COC1=CC=C2SC([N-]C(=O)NC3CC(C(=O)[O-])C4=CC=CC=C43)=NC2=C1	REAL300013561925	1	42	-2.0	-99.98	370.18	6.35	-93.63
COC1=CC=C2SC([N-]C(=O)NC3CCCCN(CC(=O)[O-])C3=O)=NC2=C1	REAL300013561926	1	45	-2.0	-129.42	375.81	5.33	-124.09
COC1=CC=C2SC([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)=NC2=C1	REAL300013561927	0	35	-2.0	-101.98	324.20	5.74	-96.24
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC(OC)=CC=C3S2)CC1	REAL300013561928	1	45	-2.0	-103.69	370.05	5.98	-97.71
COC1=CC=C2SC([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)=NC2=C1	REAL300013561929	1	36	-2.0	-99.28	324.95	3.82	-95.46
COC1=CC=C2SC([N-]C(=O)NCC3(CC(=O)[O-])CCCCC3)=NC2=C1	REAL300013561930	1	47	-2.0	-98.84	370.85	5.81	-93.03
COC1=CC=C2SC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=NC2=C1	REAL300013561931	1	41	-2.0	-103.87	345.71	5.24	-98.63
COC1=CC=C2SC([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)=NC2=C1	REAL300013561932	1	44	-2.0	-96.36	369.89	5.54	-90.82
COC1=CC=C2SC([N-]C(=O)N3CCC(CC(=O)[O-])CC3)=NC2=C1	REAL300013561933	1	41	-2.0	-98.70	344.16	6.50	-92.20
COC1=CC=C2SC([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)=NC2=C1	REAL300013561934	1	42	-2.0	-98.98	360.76	5.91	-93.07
COC1=CC=C2SC([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=NC2=C1	REAL300013561935	1	41	-2.0	-98.39	350.13	4.80	-93.59
COC1=CC=C2SC([N-]C(=O)NC3CCCC(C(=O)[O-])C3)=NC2=C1	REAL300013561936	1	41	-2.0	-98.79	345.17	5.21	-93.58
COC1=CC=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)=NC2=C1	REAL300013561937	1	42	-2.0	-110.29	352.07	3.39	-106.90
COC1=CC=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCOC3)=NC2=C1	REAL300013561938	1	39	-2.0	-107.29	336.88	2.36	-104.93
COC1=CC=C2SC([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)=NC2=C1	REAL300013561939	1	39	-2.0	-124.99	335.25	6.06	-118.93
COC1=CC=C2SC([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=NC2=C1	REAL300013561940	1	36	-2.0	-102.52	326.36	4.31	-98.21
COC1=CC=C2SC([N-]C(=O)NCC3(C(=O)[O-])CC3)=NC2=C1	REAL300013561941	1	35	-2.0	-109.04	315.02	3.85	-105.19
COC1=CC=C2SC([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=NC2=C1	REAL300013561942	1	42	-2.0	-102.95	353.97	6.42	-96.53
COC1=CC=C2SC([N-]C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)=NC2=C1	REAL300013561943	1	38	-2.0	-99.60	346.10	5.47	-94.13
COC1=CC=C2SC([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)=NC2=C1	REAL300013561944	1	39	-2.0	-101.74	334.30	5.06	-96.68
COC1=CC=C2SC([N-]C(=O)N3CC(OC)CC(C(=O)[O-])C3)=NC2=C1	REAL300013561945	1	42	-2.0	-101.15	359.18	4.81	-96.34
COC1=CC=C2SC([N-]C(=O)NC3=CC=C4C(=C3)C=CN4CC(=O)[O-])=NC2=C1	REAL300013561946	0	42	-2.0	-100.70	377.10	7.24	-93.46
COC1=CC=C2SC([N-]C(=O)N3CCC(C(=O)[O-])C3)=NC2=C1	REAL300013561947	1	35	-2.0	-99.98	311.95	4.71	-95.27
COC1=CC=C2SC([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=NC2=C1	REAL300013561948	1	36	-2.0	-99.15	325.95	4.33	-94.82
COC1=CC=C2SC([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)=NC2=C1	REAL300013561949	1	44	-2.0	-117.12	353.90	6.21	-110.91
COC1=CC=C2SC([N-]C(=O)NC(C)CCC(=O)[O-])=NC2=C1	REAL300013561950	1	37	-2.0	-99.52	329.49	4.02	-95.50
COC1=C2SC([N-]C(=O)N3CCC(C(=O)[O-])CC3)=NC2=CC=C1	REAL300013563149	1	38	-2.0	-107.34	329.27	6.30	-101.04
COC1=C2SC([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)=NC2=CC=C1	REAL300013563150	0	38	-2.0	-103.60	345.94	6.17	-97.43
COC1=C2SC([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=NC2=CC=C1	REAL300013563151	1	38	-2.0	-101.28	349.61	5.56	-95.72
COC1=C2SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=NC2=CC=C1	REAL300013563152	1	40	-2.0	-101.15	338.38	4.39	-96.76
COC1=C2SC([N-]C(=O)N3CCOC(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563153	1	36	-2.0	-110.75	320.89	4.68	-106.07
COC1=C2SC([N-]C(=O)N(C)CCC(=O)[O-])=NC2=CC=C1	REAL300013563154	1	34	-2.0	-112.30	310.09	5.31	-106.99
COC1=C2SC([N-]C(=O)NC3CCC(C(=O)[O-])CC3)=NC2=CC=C1	REAL300013563155	1	41	-2.0	-105.61	352.23	5.23	-100.38
COC1=C2SC([N-]C(=O)NCCCCC(=O)[O-])=NC2=CC=C1	REAL300013563156	1	37	-2.0	-104.48	333.35	4.23	-100.25
COC1=C2SC([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=NC2=CC=C1	REAL300013563157	1	38	-2.0	-109.27	349.61	5.55	-103.72
COC1=C2SC([N-]C(=O)NCCCCCC(=O)[O-])=NC2=CC=C1	REAL300013563158	1	40	-2.0	-101.76	354.84	5.01	-96.75
COC1=C2SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=NC2=CC=C1	REAL300013563159	1	35	-2.0	-106.94	318.45	0.94	-106.00
COC1=C2SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=NC2=CC=C1	REAL300013563160	1	37	-2.0	-110.43	325.79	4.11	-106.32
COC1=C2SC([N-]C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)=NC2=CC=C1	REAL300013563161	0	41	-2.0	-100.29	367.34	6.98	-93.31
COC1=C2SC([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563162	1	38	-2.0	-107.05	331.88	5.67	-101.38
COC1=C2SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=NC2=CC=C1	REAL300013563163	1	37	-2.0	-108.53	324.17	5.62	-102.91
COC1=C2SC([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563164	1	41	-2.0	-111.49	344.24	7.06	-104.43
COC1=C2SC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=NC2=CC=C1	REAL300013563165	1	41	-2.0	-107.53	341.19	6.49	-101.04
COC1=C2SC([N-]C(=O)NCCCC(=O)[O-])=NC2=CC=C1	REAL300013563166	1	34	-2.0	-103.27	311.85	3.45	-99.82
COC1=C2SC([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563167	1	41	-2.0	-112.75	343.97	6.67	-106.08
COC1=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCOCC3)=NC2=CC=C1	REAL300013563168	1	42	-2.0	-113.89	352.92	3.43	-110.46
COC1=C2SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=NC2=CC=C1	REAL300013563169	1	40	-2.0	-103.16	345.13	4.33	-98.83
CCC(CC)(CNC(=O)[N-]C1=NC2=CC=CC(OC)=C2S1)C(=O)[O-]	REAL300013563170	1	43	-2.0	-116.84	352.73	5.30	-111.54
COC1=C2SC([N-]C(=O)NC3(CC(=O)[O-])CCC3)=NC2=CC=C1	REAL300013563171	1	38	-2.0	-121.08	331.79	4.89	-116.19
COC1=C2SC([N-]C(=O)NCC(C)C(=O)[O-])=NC2=CC=C1	REAL300013563172	1	34	-2.0	-109.66	308.89	3.41	-106.25
COC1=C2SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=NC2=CC=C1	REAL300013563173	1	40	-2.0	-117.19	347.64	4.60	-112.59
COC1=C2SC([N-]C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=NC2=CC=C1	REAL300013563174	1	47	-2.0	-111.79	386.92	6.62	-105.17
COC1=C2SC([N-]C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=NC2=CC=C1	REAL300013563175	1	44	-2.0	-120.59	380.72	6.77	-113.82
COC1=C2SC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=NC2=CC=C1	REAL300013563176	1	38	-2.0	-102.36	333.26	4.64	-97.72
COC1=C2SC([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)=NC2=CC=C1	REAL300013563177	1	44	-2.0	-103.98	368.59	7.70	-96.28
COC1=C2SC([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563178	1	40	-2.0	-120.75	345.72	4.23	-116.52
COC1=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCCC3)=NC2=CC=C1	REAL300013563179	1	41	-2.0	-118.44	350.31	5.50	-112.94
COC1=C2SC([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)=NC2=CC=C1	REAL300013563180	1	41	-2.0	-104.75	341.20	6.98	-97.77
COC1=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCC3)=NC2=CC=C1	REAL300013563181	1	38	-2.0	-116.67	332.33	4.80	-111.87
COC1=C2SC([N-]C(=O)NCC(CC(=O)[O-])C3CC3)=NC2=CC=C1	REAL300013563182	1	41	-2.0	-116.47	357.35	5.44	-111.03
COC1=C2SC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=NC2=CC=C1	REAL300013563183	1	41	-2.0	-107.53	341.19	6.49	-101.04
COC1=C2SC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=NC2=CC=C1	REAL300013563184	1	46	-2.0	-119.87	378.36	5.83	-114.04
COC1=C2SC([N-]C(=O)NCC3(C(=O)[O-])CC3)=NC2=CC=C1	REAL300013563185	1	35	-2.0	-116.03	317.49	4.39	-111.64
COC1=C2SC([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])=NC2=CC=C1	REAL300013563186	1	38	-2.0	-128.74	343.21	5.67	-123.07
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC=CC(OC)=C3S2)C1	REAL300013563187	1	42	-2.0	-117.38	363.86	4.76	-112.62
COC1=C2SC([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=NC2=CC=C1	REAL300013563188	1	35	-2.0	-104.66	317.28	4.01	-100.65
COC1=C2SC([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)=NC2=CC=C1	REAL300013563190	1	38	-2.0	-112.34	328.08	6.23	-106.11
COC1=C2SC([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)=NC2=CC=C1	REAL300013563191	1	38	-2.0	-112.58	329.21	6.27	-106.31
COC1=C2SC([N-]C(=O)NC3CC(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563192	1	35	-2.0	-104.66	316.93	4.01	-100.65
COC1=C2SC([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=NC2=CC=C1	REAL300013563193	1	35	-2.0	-103.98	317.15	4.05	-99.93
COC1=C2SC([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=NC2=CC=C1	REAL300013563194	1	38	-2.0	-109.27	349.61	5.55	-103.72
CCC(CNC(=O)[N-]C1=NC2=CC=CC(OC)=C2S1)C(=O)[O-]	REAL300013563195	1	37	-2.0	-114.67	325.83	4.22	-110.45
COC1=C2SC([N-]C(=O)N3CCCCC3CCC(=O)[O-])=NC2=CC=C1	REAL300013563196	1	44	-2.0	-126.19	362.28	7.64	-118.55
COC1=C2SC([N-]C(=O)NCCCCCCCC(=O)[O-])=NC2=CC=C1	REAL300013563197	1	46	-2.0	-100.75	397.84	6.57	-94.18
COC1=C2SC([N-]C(=O)NCCCCCCC(=O)[O-])=NC2=CC=C1	REAL300013563198	1	43	-2.0	-102.35	376.34	5.79	-96.56
COC1=C2SC([N-]C(=O)N(C)CCCC(=O)[O-])=NC2=CC=C1	REAL300013563199	1	37	-2.0	-113.35	331.59	6.11	-107.24
COC1=C2SC([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563200	1	41	-2.0	-111.80	343.53	6.97	-104.83
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=CC=CC(OC)=C3S2)C1	REAL300013563201	1	45	-2.0	-115.48	375.59	6.13	-109.35
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=CC=CC(OC)=C2S1	REAL300013563202	1	41	-2.0	-114.78	363.28	5.47	-109.31
COC1=C2SC([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)=NC2=CC=C1	REAL300013563203	1	44	-2.0	-109.48	368.91	7.68	-101.80
COC1=C2SC([N-]C(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563204	1	42	-2.0	-133.24	361.43	8.85	-124.39
COC1=C2SC([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)=NC2=CC=C1	REAL300013563205	1	39	-2.0	-98.25	340.67	4.91	-93.34
COC1=C2SC([N-]C(=O)N3CC(C(=O)[O-])CCC3C)=NC2=CC=C1	REAL300013563206	1	41	-2.0	-112.42	343.97	6.81	-105.61
COC1=C2SC([N-]C(=O)N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=NC2=CC=C1	REAL300013563207	1	45	-2.0	-113.21	391.02	8.67	-104.54
COC1=C2SC([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563208	1	39	-2.0	-110.18	338.18	3.80	-106.38
COC1=C2SC([N-]C(=O)NC3CC(C(=O)[O-])C4=CC=CC=C43)=NC2=CC=C1	REAL300013563209	1	42	-2.0	-106.49	372.29	6.78	-99.71
COC1=C2SC([N-]C(=O)NC3CCCCN(CC(=O)[O-])C3=O)=NC2=CC=C1	REAL300013563210	1	45	-2.0	-139.50	377.92	5.76	-133.74
COC1=C2SC([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)=NC2=CC=C1	REAL300013563211	0	35	-2.0	-110.04	326.31	6.17	-103.87
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC=CC(OC)=C3S2)CC1	REAL300013563212	1	45	-2.0	-110.08	372.16	6.40	-103.68
COC1=C2SC([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)=NC2=CC=C1	REAL300013563213	1	36	-2.0	-107.32	327.06	4.24	-103.08
COC1=C2SC([N-]C(=O)NCC3(CC(=O)[O-])CCCCC3)=NC2=CC=C1	REAL300013563214	1	47	-2.0	-105.09	372.96	6.23	-98.86
COC1=C2SC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=NC2=CC=C1	REAL300013563215	1	41	-2.0	-109.18	347.81	5.66	-103.52
COC1=C2SC([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)=NC2=CC=C1	REAL300013563216	1	44	-2.0	-102.16	372.00	5.96	-96.20
COC1=C2SC([N-]C(=O)N3CCC(CC(=O)[O-])CC3)=NC2=CC=C1	REAL300013563217	1	41	-2.0	-104.15	346.27	6.92	-97.23
COC1=C2SC([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)=NC2=CC=C1	REAL300013563218	1	42	-2.0	-104.93	362.87	6.35	-98.58
COC1=C2SC([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=NC2=CC=C1	REAL300013563219	1	41	-2.0	-104.93	352.24	5.23	-99.70
COC1=C2SC([N-]C(=O)NC3CCCC(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563220	1	41	-2.0	-104.95	352.24	5.23	-99.72
COC1=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)=NC2=CC=C1	REAL300013563221	1	42	-2.0	-117.90	354.18	3.82	-114.08
COC1=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCOC3)=NC2=CC=C1	REAL300013563222	1	39	-2.0	-114.02	338.99	2.78	-111.24
COC1=C2SC([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)=NC2=CC=C1	REAL300013563223	1	39	-2.0	-134.72	337.36	6.49	-128.23
COC1=C2SC([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=NC2=CC=C1	REAL300013563224	1	36	-2.0	-108.64	328.47	4.73	-103.91
COC1=C2SC([N-]C(=O)NCC3(C(=O)[O-])CC3)=NC2=CC=C1	REAL300013563225	1	35	-2.0	-116.03	317.49	4.39	-111.64
COC1=C2SC([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=NC2=CC=C1	REAL300013563226	1	42	-2.0	-108.75	356.03	6.85	-101.90
COC1=C2SC([N-]C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)=NC2=CC=C1	REAL300013563227	1	38	-2.0	-107.34	348.21	5.91	-101.43
COC1=C2SC([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563228	1	39	-2.0	-110.23	336.42	5.48	-104.75
COC1=C2SC([N-]C(=O)N3CC(OC)CC(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563229	1	42	-2.0	-109.91	361.30	5.23	-104.68
COC1=C2SC([N-]C(=O)NC3=CC=C4C(=C3)C=CN4CC(=O)[O-])=NC2=CC=C1	REAL300013563230	0	42	-2.0	-108.44	379.21	7.67	-100.77
COC1=C2SC([N-]C(=O)N3CCC(C(=O)[O-])C3)=NC2=CC=C1	REAL300013563231	1	35	-2.0	-108.23	314.06	5.14	-103.09
COC1=C2SC([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=NC2=CC=C1	REAL300013563232	1	36	-2.0	-106.53	328.07	4.75	-101.78
COC1=C2SC([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)=NC2=CC=C1	REAL300013563233	1	44	-2.0	-125.32	356.01	6.64	-118.68
COC1=C2SC([N-]C(=O)NC(C)CCC(=O)[O-])=NC2=CC=C1	REAL300013563234	1	37	-2.0	-105.95	331.60	4.45	-101.50
COC1=C2N=C([N-]C(=O)N(C)CCC(=O)[O-])SC2=CC(Br)=C1	REAL300013563917	1	34	-2.0	-102.07	329.27	5.48	-96.59
COC1=C2N=C([N-]C(=O)NCCC(=O)[O-])SC2=CC(Br)=C1	REAL300013563918	1	31	-2.0	-99.24	309.53	2.82	-96.42
COC1=C2N=C([N-]C(=O)NCCCC(=O)[O-])SC2=CC(Br)=C1	REAL300013563919	1	34	-2.0	-95.16	331.02	3.62	-91.54
COC1=C2N=C([N-]C(=O)NCC(C)C(=O)[O-])SC2=CC(Br)=C1	REAL300013563920	1	34	-2.0	-99.72	328.07	3.58	-96.14
O=C([O-])CN1C=NC(NC(=O)[N-]C2=C(C3CC3)SC=N2)=C1	REAL300013566351	1	32	-2.0	-107.53	301.13	6.71	-100.82
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568103	1	42	-2.0	-106.38	352.57	6.52	-99.86
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)=C1	REAL300013568104	0	42	-2.0	-102.73	369.24	6.37	-96.36
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C=C1	REAL300013568105	1	42	-2.0	-99.93	372.90	5.76	-94.17
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568106	1	44	-2.0	-100.17	361.68	4.58	-95.59
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCO1	REAL300013568107	1	40	-2.0	-110.32	344.18	4.88	-105.44
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568108	1	38	-2.0	-111.85	333.38	5.51	-106.34
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568109	1	45	-2.0	-105.11	375.54	5.42	-99.69
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568110	1	41	-2.0	-103.74	356.64	4.42	-99.32
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3CCCO3)S2)=CC=C1	REAL300013568111	1	42	-2.0	-108.42	372.91	5.75	-102.67
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568112	1	44	-2.0	-100.77	378.14	5.21	-95.56
CC(O)(CNC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013568113	1	39	-2.0	-106.41	341.74	1.14	-105.27
CC(C)(CNC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013568114	1	41	-2.0	-109.87	348.50	4.31	-105.56
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)=C1	REAL300013568115	0	45	-2.0	-99.25	390.64	7.17	-92.08
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568116	1	42	-2.0	-106.48	355.12	5.87	-100.61
CC(CN(C)C(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013568117	1	41	-2.0	-107.88	346.59	5.79	-102.09
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568118	1	45	-2.0	-109.74	368.18	7.28	-102.46
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568119	1	45	-2.0	-106.60	365.27	6.75	-99.85
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568120	1	38	-2.0	-102.30	335.14	3.64	-98.66
CC1CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1C(=O)[O-]	REAL300013568121	1	45	-2.0	-113.93	370.86	6.99	-106.94
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCOCC1	REAL300013568122	1	46	-2.0	-115.08	375.22	3.79	-111.29
CC(C)(CCNC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013568123	1	44	-2.0	-102.15	367.85	4.52	-97.63
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013568124	1	47	-2.0	-117.31	380.74	5.33	-111.98
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCC1	REAL300013568125	1	42	-2.0	-120.35	355.09	5.08	-115.27
CC(CNC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013568126	1	38	-2.0	-109.24	332.19	3.61	-105.63
CC(C)C(CNC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013568127	1	44	-2.0	-114.67	365.67	4.90	-109.77
CC(NC(=O)[N-]C1=NC=C(CC2CCCO2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013568128	1	51	-2.0	-110.99	407.63	6.23	-104.76
CC(CNC(=O)[N-]C1=NC=C(CC2CCCO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013568129	1	48	-2.0	-118.55	398.64	7.20	-111.35
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568130	1	42	-2.0	-101.47	357.00	4.92	-96.55
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568131	1	48	-2.0	-102.82	391.88	7.91	-94.91
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC=C(CC3CCCO3)S1)C2	REAL300013568132	1	44	-2.0	-119.66	368.98	4.43	-115.23
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCCC1	REAL300013568133	1	45	-2.0	-116.70	371.83	5.43	-111.27
CC1CN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCC1C(=O)[O-]	REAL300013568134	1	45	-2.0	-107.13	370.90	7.01	-100.12
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCC1	REAL300013568135	1	42	-2.0	-115.84	355.62	5.00	-110.84
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C1CC1	REAL300013568136	1	45	-2.0	-101.38	373.29	6.22	-95.16
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568137	1	45	-2.0	-106.60	365.27	6.75	-99.85
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(CC2CCCO2)S1)CC(=O)[O-]	REAL300013568138	1	50	-2.0	-117.98	401.66	6.06	-111.92
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568139	1	39	-2.0	-114.43	340.42	4.47	-109.96
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568140	1	42	-2.0	-128.50	366.54	5.85	-122.65
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568141	1	46	-2.0	-116.92	387.09	4.96	-111.96
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568142	1	39	-2.0	-103.51	340.52	4.16	-99.35
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568144	1	42	-2.0	-111.58	351.39	6.44	-105.14
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568145	1	42	-2.0	-112.32	352.51	6.48	-105.84
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568146	1	39	-2.0	-103.17	340.09	4.25	-98.92
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568147	1	39	-2.0	-103.17	340.08	4.25	-98.92
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3CCCO3)S2)=CC=C1	REAL300013568148	1	42	-2.0	-108.42	372.91	5.75	-102.67
CCC(CNC(=O)[N-]C1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013568149	1	41	-2.0	-113.57	349.13	4.41	-109.16
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568150	1	48	-2.0	-126.49	385.80	7.85	-118.64
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568151	1	50	-2.0	-99.90	421.14	6.77	-93.13
O=C([O-])CCCCCCNC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568152	1	47	-2.0	-101.65	399.64	5.99	-95.66
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568153	1	41	-2.0	-112.53	354.88	6.32	-106.21
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568154	1	45	-2.0	-111.64	367.15	7.17	-104.47
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568155	1	49	-2.0	-114.54	397.94	6.97	-107.57
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568156	1	45	-2.0	-112.56	386.57	5.68	-106.88
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568157	1	48	-2.0	-109.30	392.21	7.89	-101.41
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC2=CC=CC=C21	REAL300013568158	1	46	-2.0	-132.67	384.74	9.05	-123.62
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568159	1	43	-2.0	-97.34	364.35	5.23	-92.11
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568160	1	45	-2.0	-110.66	368.47	7.07	-103.59
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568161	1	43	-2.0	-109.70	361.47	4.01	-105.69
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C2=CC=CC=C21	REAL300013568162	1	46	-2.0	-105.69	395.58	6.97	-98.72
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1=O	REAL300013568163	1	49	-2.0	-138.49	401.20	5.95	-132.54
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)=C1	REAL300013568164	0	39	-2.0	-110.01	349.61	6.37	-103.64
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568165	1	49	-2.0	-109.17	395.45	6.60	-102.57
O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(CC4CCCO4)S3)(C1)C2	REAL300013568166	1	40	-2.0	-106.89	350.35	4.43	-102.46
O=C([O-])CC1(CNC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCCCC1	REAL300013568167	1	51	-2.0	-120.11	396.54	6.42	-113.69
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568168	1	45	-2.0	-108.67	369.89	5.83	-102.84
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568169	1	48	-2.0	-100.40	393.98	6.13	-94.27
O=C([O-])CC1CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568170	1	45	-2.0	-102.71	369.57	7.13	-95.58
O=C([O-])COC1CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568171	1	46	-2.0	-103.88	386.17	6.55	-97.33
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568172	1	45	-2.0	-104.12	375.54	5.42	-98.70
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568173	1	45	-2.0	-103.83	371.11	5.84	-97.99
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCCOC1	REAL300013568174	1	46	-2.0	-117.29	377.48	4.00	-113.29
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCOC1	REAL300013568175	1	43	-2.0	-112.79	362.29	2.98	-109.81
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568176	1	43	-2.0	-134.40	360.29	6.65	-127.75
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC=C(CC3CCCO3)S1)C2	REAL300013568177	1	40	-2.0	-107.10	352.34	4.88	-102.22
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC1	REAL300013568178	1	39	-2.0	-114.43	340.42	4.47	-109.96
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CC12CCC2	REAL300013568179	1	46	-2.0	-108.09	380.50	7.10	-100.99
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568180	1	42	-2.0	-106.92	371.48	6.11	-100.81
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCO1	REAL300013568181	1	43	-2.0	-109.93	359.71	5.68	-104.25
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568182	1	46	-2.0	-109.75	384.59	5.43	-104.32
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3CCCO3)S2)C1	REAL300013568183	1	39	-2.0	-107.69	337.41	5.34	-102.35
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC=C(CC3CCCO3)S1)C2	REAL300013568184	1	40	-2.0	-105.74	351.13	4.98	-100.76
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3CCCO3)S2)CCCCC1	REAL300013568185	1	48	-2.0	-124.94	379.30	6.83	-118.11
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2CCCO2)S1	REAL300013568186	1	41	-2.0	-104.71	354.90	4.64	-100.07
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568187	1	42	-2.0	-103.28	348.54	6.32	-96.96
C[C@@H]1CC2=C(SC([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)=N2)[C@H](C)O1	REAL300013568188	0	42	-2.0	-99.78	365.21	6.17	-93.61
C[C@@H]1CC2=C(SC([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=N2)[C@H](C)O1	REAL300013568189	1	42	-2.0	-97.15	368.85	5.56	-91.59
C[C@@H]1CC2=C(SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2)[C@H](C)O1	REAL300013568190	1	44	-2.0	-97.21	357.63	4.38	-92.83
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCOC(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568191	1	40	-2.0	-107.10	340.04	4.66	-102.44
C[C@@H]1CC2=C(SC([N-]C(=O)N(C)CCC(=O)[O-])=N2)[C@H](C)O1	REAL300013568192	1	38	-2.0	-108.44	329.37	5.31	-103.13
C[C@@H]1CC2=C(SC([N-]C(=O)NC3CCC(C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568193	1	45	-2.0	-104.64	365.76	5.61	-99.03
C[C@@H]1CC2=C(SC([N-]C(=O)NCCCCC(=O)[O-])=N2)[C@H](C)O1	REAL300013568194	1	41	-2.0	-100.68	352.61	4.22	-96.46
C[C@@H]1CC2=C(SC([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=N2)[C@H](C)O1	REAL300013568195	1	42	-2.0	-105.01	368.86	5.54	-99.47
C[C@@H]1CC2=C(SC([N-]C(=O)NCCCCCC(=O)[O-])=N2)[C@H](C)O1	REAL300013568196	1	44	-2.0	-97.88	374.11	5.00	-92.88
C[C@@H]1CC2=C(SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2)[C@H](C)O1	REAL300013568197	1	39	-2.0	-103.18	337.71	0.93	-102.25
C[C@@H]1CC2=C(SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2)[C@H](C)O1	REAL300013568198	1	41	-2.0	-106.89	345.04	4.10	-102.79
C[C@@H]1CC2=C(SC([N-]C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)=N2)[C@H](C)O1	REAL300013568199	0	45	-2.0	-96.33	386.61	6.97	-89.36
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568200	1	42	-2.0	-108.23	351.34	5.61	-102.62
CC(CN(C)C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013568201	1	41	-2.0	-111.28	344.52	5.89	-105.39
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C1	REAL300013568202	1	45	-2.0	-106.98	368.17	6.80	-100.18
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568203	1	45	-2.0	-103.86	360.63	6.55	-97.31
C[C@@H]1CC2=C(SC([N-]C(=O)NCCCC(=O)[O-])=N2)[C@H](C)O1	REAL300013568204	1	38	-2.0	-99.34	331.10	3.44	-95.90
CC1CCN(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)CC1C(=O)[O-]	REAL300013568205	1	45	-2.0	-108.98	363.99	6.69	-102.29
C[C@@H]1CC2=C(SC([N-]C(=O)NCC3(C(=O)[O-])CCOCC3)=N2)[C@H](C)O1	REAL300013568206	1	46	-2.0	-111.81	371.20	3.60	-108.21
C[C@@H]1CC2=C(SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2)[C@H](C)O1	REAL300013568207	1	44	-2.0	-99.22	363.82	4.31	-94.91
CCC(CC)(CNC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013568208	1	47	-2.0	-113.27	374.04	5.46	-107.81
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(CC(=O)[O-])CCC3)=N2)[C@H](C)O1	REAL300013568209	1	42	-2.0	-116.99	351.06	4.88	-112.11
CC(CNC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013568210	1	38	-2.0	-105.60	327.29	3.39	-102.21
CC(C)C(CNC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013568211	1	44	-2.0	-112.01	360.62	4.73	-107.28
CC(NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013568212	1	51	-2.0	-107.91	405.40	6.52	-101.39
C[C@@H]1CC2=C(SC([N-]C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)[C@H](C)O1	REAL300013568213	1	48	-2.0	-116.75	399.97	6.76	-109.99
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568214	1	42	-2.0	-101.13	352.53	4.69	-96.44
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568215	1	48	-2.0	-99.88	387.85	7.70	-92.18
C[C@@H]1CC2=C(SC([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568216	1	44	-2.0	-116.81	364.92	4.22	-112.59
C[C@@H]1CC2=C(SC([N-]C(=O)NCC3(C(=O)[O-])CCCC3)=N2)[C@H](C)O1	REAL300013568217	1	45	-2.0	-114.46	369.61	5.48	-108.98
CC1CN(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)CCC1C(=O)[O-]	REAL300013568218	1	45	-2.0	-104.02	366.85	6.79	-97.23
C[C@@H]1CC2=C(SC([N-]C(=O)NCC3(C(=O)[O-])CCC3)=N2)[C@H](C)O1	REAL300013568219	1	42	-2.0	-112.63	351.61	4.79	-107.84
C[C@@H]1CC2=C(SC([N-]C(=O)NCC(CC(=O)[O-])C3CC3)=N2)[C@H](C)O1	REAL300013568220	1	45	-2.0	-100.73	375.08	5.48	-95.25
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568221	1	45	-2.0	-103.86	360.63	6.55	-97.31
CC(C)C[C@H](CNC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)CC(=O)[O-]	REAL300013568222	1	50	-2.0	-113.62	397.23	5.79	-107.83
C[C@@H]1CC2=C(SC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568223	1	39	-2.0	-111.73	336.75	4.38	-107.35
C[C@@H]1CC2=C(SC([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])=N2)[C@H](C)O1	REAL300013568224	1	42	-2.0	-125.11	362.48	5.67	-119.44
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C1	REAL300013568225	1	46	-2.0	-113.71	383.12	4.76	-108.95
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568226	1	39	-2.0	-100.58	336.19	4.00	-96.58
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568228	1	42	-2.0	-108.71	347.98	6.25	-102.46
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568229	1	42	-2.0	-109.03	348.49	6.28	-102.75
C[C@@H]1CC2=C(SC([N-]C(=O)NC3CC(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568230	1	39	-2.0	-100.68	336.54	4.00	-96.68
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568231	1	39	-2.0	-100.03	336.56	4.06	-95.97
C[C@@H]1CC2=C(SC([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=N2)[C@H](C)O1	REAL300013568232	1	42	-2.0	-105.01	368.86	5.54	-99.47
CCC(CNC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C(=O)[O-]	REAL300013568233	1	41	-2.0	-111.53	350.10	4.11	-107.42
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCCC3CCC(=O)[O-])=N2)[C@H](C)O1	REAL300013568234	1	48	-2.0	-122.27	381.82	7.65	-114.62
C[C@@H]1CC2=C(SC([N-]C(=O)NCCCCCCCC(=O)[O-])=N2)[C@H](C)O1	REAL300013568235	1	50	-2.0	-96.97	417.11	6.56	-90.41
C[C@@H]1CC2=C(SC([N-]C(=O)NCCCCCCC(=O)[O-])=N2)[C@H](C)O1	REAL300013568236	1	47	-2.0	-98.63	395.61	5.78	-92.85
C[C@@H]1CC2=C(SC([N-]C(=O)N(C)CCCC(=O)[O-])=N2)[C@H](C)O1	REAL300013568237	1	41	-2.0	-109.13	350.87	6.11	-103.02
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568238	1	45	-2.0	-107.92	363.30	7.00	-100.92
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C1	REAL300013568239	1	49	-2.0	-110.65	393.28	6.88	-103.77
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013568240	1	45	-2.0	-108.75	383.50	5.44	-103.31
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568241	1	48	-2.0	-105.82	388.24	7.69	-98.13
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568242	1	46	-2.0	-112.81	381.38	8.17	-104.64
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568243	1	43	-2.0	-94.07	359.94	4.92	-89.15
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2	REAL300013568244	1	45	-2.0	-105.51	361.86	6.79	-98.72
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568245	1	43	-2.0	-106.40	357.44	3.78	-102.62
C[C@@H]1CC2=C(SC([N-]C(=O)NC3CC(C(=O)[O-])C4=CC=CC=C43)=N2)[C@H](C)O1	REAL300013568246	1	46	-2.0	-100.95	389.25	6.68	-94.27
C[C@@H]1CC2=C(SC([N-]C(=O)NC3CCCCN(CC(=O)[O-])C3=O)=N2)[C@H](C)O1	REAL300013568247	1	49	-2.0	-112.31	392.38	5.62	-106.69
C[C@@H]1CC2=C(SC([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)=N2)[C@H](C)O1	REAL300013568248	0	39	-2.0	-106.27	345.59	6.17	-100.10
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)CC1	REAL300013568249	1	49	-2.0	-106.00	392.52	6.32	-99.68
C[C@@H]1CC2=C(SC([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)=N2)[C@H](C)O1	REAL300013568250	1	40	-2.0	-103.58	346.13	4.24	-99.34
C[C@@H]1CC2=C(SC([N-]C(=O)NCC3(CC(=O)[O-])CCCCC3)=N2)[C@H](C)O1	REAL300013568251	1	51	-2.0	-119.29	392.53	6.20	-113.09
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568252	1	45	-2.0	-104.62	365.76	5.61	-99.01
C[C@@H]1CC2=C(SC([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568253	1	48	-2.0	-97.58	389.95	5.92	-91.66
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(CC(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568254	1	45	-2.0	-99.78	365.54	6.92	-92.86
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568255	1	46	-2.0	-100.94	382.14	6.35	-94.59
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568256	1	45	-2.0	-100.70	370.98	5.21	-95.49
C[C@@H]1CC2=C(SC([N-]C(=O)NC3CCCC(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568257	1	45	-2.0	-100.89	367.08	5.64	-95.25
C[C@@H]1CC2=C(SC([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)=N2)[C@H](C)O1	REAL300013568258	1	46	-2.0	-113.09	371.80	3.85	-109.24
C[C@@H]1CC2=C(SC([N-]C(=O)NCC3(C(=O)[O-])CCOC3)=N2)[C@H](C)O1	REAL300013568259	1	43	-2.0	-111.87	360.76	2.94	-108.93
C[C@@H]1CC2=C(SC([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)=N2)[C@H](C)O1	REAL300013568260	1	43	-2.0	-130.85	356.35	6.45	-124.40
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)[C@H](C)O1	REAL300013568261	1	40	-2.0	-104.65	348.12	4.71	-99.94
C[C@@H]1CC2=C(SC([N-]C(=O)NCC3(C(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568262	1	39	-2.0	-111.73	336.75	4.38	-107.35
C[C@@H]1CC2=C(SC([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=N2)[C@H](C)O1	REAL300013568263	1	46	-2.0	-105.07	376.55	6.89	-98.18
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)=N2)[C@H](C)O1	REAL300013568264	1	42	-2.0	-109.44	367.81	5.91	-103.53
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568265	1	43	-2.0	-106.64	355.62	5.45	-101.19
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(S2)[C@H](C)O[C@H](C)C3)C1	REAL300013568266	1	46	-2.0	-112.27	379.06	5.35	-106.92
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C(=O)[O-])C3)=N2)[C@H](C)O1	REAL300013568267	1	39	-2.0	-104.91	333.01	5.14	-99.77
C[C@@H]1CC2=C(SC([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)[C@H](C)O1	REAL300013568268	1	40	-2.0	-102.50	347.00	4.74	-97.76
C[C@@H]1CC2=C(SC([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)=N2)[C@H](C)O1	REAL300013568269	1	48	-2.0	-121.41	375.33	6.63	-114.78
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CC1=CC=C(CC2=CN=C([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)S2)C=C1	REAL300013568519	0	44	-2.0	-99.67	393.81	9.75	-89.92
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)S2)C=C1	REAL300013568520	1	44	-2.0	-97.02	397.47	9.14	-87.88
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S2)C=C1	REAL300013568521	1	46	-2.0	-97.04	386.25	7.96	-89.08
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCOC(C(=O)[O-])C3)S2)C=C1	REAL300013568522	1	42	-2.0	-106.85	368.72	8.26	-98.59
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)CCC(=O)[O-])S2)C=C1	REAL300013568523	1	40	-2.0	-108.15	357.96	8.89	-99.26
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3CCC(C(=O)[O-])CC3)S2)C=C1	REAL300013568524	1	47	-2.0	-101.64	400.11	8.80	-92.84
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCCC(=O)[O-])S2)C=C1	REAL300013568525	1	43	-2.0	-100.49	381.21	7.81	-92.68
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)C=C1	REAL300013568526	1	44	-2.0	-105.13	397.48	9.13	-96.00
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCC(=O)[O-])S2)C=C1	REAL300013568527	1	37	-2.0	-105.18	338.22	6.23	-98.95
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCCCC(=O)[O-])S2)C=C1	REAL300013568528	1	46	-2.0	-97.67	402.71	8.59	-89.08
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S2)C=C1	REAL300013568529	1	41	-2.0	-103.01	366.30	4.52	-98.49
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S2)C=C1	REAL300013568530	1	43	-2.0	-106.63	373.65	7.69	-98.94
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)S2)C=C1	REAL300013568531	0	47	-2.0	-96.27	415.21	10.56	-85.71
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)S2)C=C1	REAL300013568532	1	44	-2.0	-103.46	381.12	9.31	-94.15
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S2)C=C1	REAL300013568533	1	43	-2.0	-104.35	371.16	9.19	-95.16
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)S2)C=C1	REAL300013568534	1	47	-2.0	-106.75	392.78	10.67	-96.08
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)S2)C=C1	REAL300013568535	1	47	-2.0	-103.15	389.06	10.08	-93.07
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCC(=O)[O-])S2)C=C1	REAL300013568536	1	40	-2.0	-99.17	359.71	7.03	-92.14
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)S2)C=C1	REAL300013568537	1	47	-2.0	-109.81	387.83	10.09	-99.72
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCOCC3)S2)C=C1	REAL300013568538	1	48	-2.0	-109.65	400.79	7.01	-102.64
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S2)C=C1	REAL300013568539	1	46	-2.0	-99.01	393.00	7.91	-91.10
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013568540	1	49	-2.0	-113.85	405.31	8.71	-105.14
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(CC(=O)[O-])CCC3)S2)C=C1	REAL300013568541	1	44	-2.0	-116.28	379.66	8.47	-107.81
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(C)C(=O)[O-])S2)C=C1	REAL300013568542	1	40	-2.0	-105.37	355.87	6.97	-98.40
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S2)C=C1	REAL300013568543	1	46	-2.0	-111.72	389.25	8.31	-103.41
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013568544	1	44	-2.0	-98.60	381.13	8.31	-90.29
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)S2)C=C1	REAL300013568545	1	50	-2.0	-99.59	416.45	11.29	-88.30
CC1=CC=C(CC2=CN=C([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)S2)C=C1	REAL300013568546	1	46	-2.0	-103.52	392.84	7.91	-95.61
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCCC3)S2)C=C1	REAL300013568547	1	47	-2.0	-113.20	396.40	8.81	-104.39
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)S2)C=C1	REAL300013568548	1	47	-2.0	-103.68	395.47	10.39	-93.29
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCC3)S2)C=C1	REAL300013568549	1	44	-2.0	-112.37	380.20	8.38	-103.99
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC(CC(=O)[O-])C3CC3)S2)C=C1	REAL300013568550	1	47	-2.0	-112.64	405.22	9.02	-103.62
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)S2)C=C1	REAL300013568551	1	47	-2.0	-103.15	389.06	10.08	-93.07
CC1=CC=C(CC2=CN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S2)C=C1	REAL300013568552	1	52	-2.0	-101.37	431.63	9.62	-91.75
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1	REAL300013568553	1	41	-2.0	-111.70	365.36	7.96	-103.74
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])S2)C=C1	REAL300013568554	1	44	-2.0	-124.49	391.08	9.25	-115.24
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=C(C)C=C3)S2)C1	REAL300013568555	1	48	-2.0	-116.90	413.28	8.33	-108.57
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013568556	1	41	-2.0	-100.44	365.19	7.59	-92.85
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013568558	1	44	-2.0	-108.50	375.94	9.82	-98.68
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)S2)C=C1	REAL300013568559	1	44	-2.0	-108.59	377.09	9.87	-98.72
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3CC(C(=O)[O-])C3)S2)C=C1	REAL300013568560	1	41	-2.0	-99.86	364.66	7.63	-92.23
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)C=C1	REAL300013568561	1	41	-2.0	-99.78	365.02	7.63	-92.15
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)C=C1	REAL300013568562	1	44	-2.0	-105.13	397.48	9.13	-96.00
CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300013568563	1	43	-2.0	-110.40	373.69	7.81	-102.59
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCCC3CCC(=O)[O-])S2)C=C1	REAL300013568564	1	50	-2.0	-121.92	409.81	11.20	-110.72
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S2)C=C1	REAL300013568565	1	52	-2.0	-96.75	445.71	10.15	-86.60
CC1=CC=C(CC2=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S2)C=C1	REAL300013568566	1	49	-2.0	-98.42	424.21	9.37	-89.05
CC1=CC=C(CC2=CN=C([N-]C(=O)N(C)CCCC(=O)[O-])S2)C=C1	REAL300013568567	1	43	-2.0	-109.04	379.46	9.70	-99.34
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)S2)C=C1	REAL300013568568	1	47	-2.0	-107.96	391.71	10.55	-97.41
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=C(C)C=C2)S1	REAL300013568569	1	47	-2.0	-109.55	411.11	9.06	-100.49
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)S2)C=C1	REAL300013568570	1	50	-2.0	-105.57	416.74	11.27	-94.30
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)S2)C=C1	REAL300013568571	1	45	-2.0	-93.97	388.54	8.51	-85.46
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC(C(=O)[O-])CCC3C)S2)C=C1	REAL300013568572	1	47	-2.0	-107.82	393.05	10.45	-97.37
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)S2)C=C1	REAL300013568573	1	45	-2.0	-106.12	386.04	7.39	-98.73
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)S2)C=C1	REAL300013568574	0	41	-2.0	-106.22	374.18	9.74	-96.48
CC1=CC=C(CC2=CN=C([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)S2)C=C1	REAL300013568575	1	42	-2.0	-103.40	374.93	7.81	-95.59
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)S2)C=C1	REAL300013568576	1	47	-2.0	-104.69	395.69	9.24	-95.45
CC1=CC=C(CC2=CN=C([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)S2)C=C1	REAL300013568577	1	50	-2.0	-97.46	418.55	9.51	-87.95
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(CC(=O)[O-])CC3)S2)C=C1	REAL300013568578	1	47	-2.0	-99.62	394.14	10.51	-89.11
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)S2)C=C1	REAL300013568579	1	48	-2.0	-100.63	410.74	9.93	-90.70
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300013568580	1	47	-2.0	-100.92	400.10	8.80	-92.12
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3CCCC(C(=O)[O-])C3)S2)C=C1	REAL300013568581	1	47	-2.0	-100.81	395.68	9.23	-91.58
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)S2)C=C1	REAL300013568582	1	48	-2.0	-113.70	402.04	7.39	-106.31
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCOC3)S2)C=C1	REAL300013568583	1	45	-2.0	-109.71	386.86	6.36	-103.35
CC1=CC=C(CC2=CN=C([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)S2)C=C1	REAL300013568584	1	45	-2.0	-130.25	384.80	10.05	-120.20
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1	REAL300013568585	1	42	-2.0	-104.48	376.34	8.31	-96.17
CC1=CC=C(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)C=C1	REAL300013568586	1	41	-2.0	-111.70	365.36	7.96	-103.74
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)S2)C=C1	REAL300013568587	1	48	-2.0	-104.31	403.90	10.43	-93.88
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)S2)C=C1	REAL300013568588	1	45	-2.0	-106.33	384.28	9.07	-97.26
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=C(C)C=C3)S2)C1	REAL300013568589	1	48	-2.0	-106.15	409.16	8.81	-97.34
CC1=CC=C(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])C3)S2)C=C1	REAL300013568590	1	41	-2.0	-104.24	361.98	8.72	-95.52
CC1=CC=C(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1	REAL300013568591	1	42	-2.0	-102.32	375.85	8.32	-94.00
CC1=CC=C(CC2=CN=C([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)S2)C=C1	REAL300013568592	1	50	-2.0	-120.51	403.88	10.21	-110.30
CC1=CC=C(CC2=CN=C([N-]C(=O)NC(C)CCC(=O)[O-])S2)C=C1	REAL300013568593	1	43	-2.0	-101.60	379.47	8.02	-93.58
COC1=CC(OC)=C2SC([N-]C(=O)N3CCC(C(=O)[O-])CC3)=NC2=C1	REAL300013568961	1	42	-2.0	-105.19	358.66	5.58	-99.61
COC1=CC(OC)=C2SC([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)=NC2=C1	REAL300013568962	0	42	-2.0	-101.45	375.32	5.46	-95.99
COC1=CC(OC)=C2SC([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=NC2=C1	REAL300013568963	1	42	-2.0	-99.24	378.99	4.85	-94.39
COC1=CC(OC)=C2SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=NC2=C1	REAL300013568964	1	44	-2.0	-99.07	367.77	3.69	-95.38
COC1=CC(OC)=C2SC([N-]C(=O)N3CCOC(C(=O)[O-])C3)=NC2=C1	REAL300013568965	1	40	-2.0	-108.49	350.15	3.95	-104.54
COC1=CC(OC)=C2SC([N-]C(=O)N(C)CCC(=O)[O-])=NC2=C1	REAL300013568966	1	38	-2.0	-110.06	339.47	4.61	-105.45
COC1=CC(OC)=C2SC([N-]C(=O)NC3CCC(C(=O)[O-])CC3)=NC2=C1	REAL300013568967	1	45	-2.0	-103.58	381.63	4.52	-99.06
COC1=CC(OC)=C2SC([N-]C(=O)NCCCCC(=O)[O-])=NC2=C1	REAL300013568968	1	41	-2.0	-102.37	362.73	3.52	-98.85
COC1=CC(OC)=C2SC([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=NC2=C1	REAL300013568969	1	42	-2.0	-107.07	379.00	4.84	-102.23
COC1=CC(OC)=C2SC([N-]C(=O)NCCC(=O)[O-])=NC2=C1	REAL300013568970	1	35	-2.0	-106.82	319.73	1.95	-104.87
COC1=CC(OC)=C2SC([N-]C(=O)NCCCCCC(=O)[O-])=NC2=C1	REAL300013568971	1	44	-2.0	-99.66	384.23	4.31	-95.35
COC1=CC(OC)=C2SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=NC2=C1	REAL300013568972	1	39	-2.0	-104.56	348.24	0.29	-104.27
COC1=CC(OC)=C2SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=NC2=C1	REAL300013568973	1	41	-2.0	-107.95	354.59	3.41	-104.54
COC1=CC(OC)=C2SC([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)=NC2=C1	REAL300013568974	1	42	-2.0	-106.42	363.20	4.92	-101.50
COC1=CC(OC)=C2SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=NC2=C1	REAL300013568975	1	41	-2.0	-112.87	354.62	5.18	-107.69
COC1=CC(OC)=C2SC([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)=NC2=C1	REAL300013568976	1	45	-2.0	-109.28	378.95	6.13	-103.15
COC1=CC(OC)=C2SC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=NC2=C1	REAL300013568977	1	45	-2.0	-105.30	370.58	5.80	-99.50
COC1=CC(OC)=C2SC([N-]C(=O)NCCCC(=O)[O-])=NC2=C1	REAL300013568978	1	38	-2.0	-101.04	341.23	2.74	-98.30
COC1=CC(OC)=C2SC([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)=NC2=C1	REAL300013568979	1	45	-2.0	-111.42	369.34	5.79	-105.63
COC1=CC(OC)=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCOCC3)=NC2=C1	REAL300013568980	1	46	-2.0	-113.13	381.31	2.91	-110.22
COC1=CC(OC)=C2SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=NC2=C1	REAL300013568981	1	44	-2.0	-100.98	374.52	3.63	-97.35
CCC(CC)(CNC(=O)[N-]C1=NC2=CC(OC)=CC(OC)=C2S1)C(=O)[O-]	REAL300013568982	1	47	-2.0	-115.44	386.82	4.42	-111.02
COC1=CC(OC)=C2SC([N-]C(=O)NC3(CC(=O)[O-])CCC3)=NC2=C1	REAL300013568983	1	42	-2.0	-118.48	361.17	4.18	-114.30
COC1=CC(OC)=C2SC([N-]C(=O)NCC(C)C(=O)[O-])=NC2=C1	REAL300013568984	1	38	-2.0	-107.34	338.28	2.70	-104.64
COC1=CC(OC)=C2SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=NC2=C1	REAL300013568985	1	44	-2.0	-114.53	377.02	3.90	-110.63
COC1=CC(OC)=C2SC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=NC2=C1	REAL300013568986	1	42	-2.0	-100.14	362.64	3.93	-96.21
COC1=CC(OC)=C2SC([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)=NC2=C1	REAL300013568987	1	48	-2.0	-101.84	397.96	6.98	-94.86
COC1=CC(OC)=C2SC([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=NC2=C1	REAL300013568988	1	44	-2.0	-118.23	375.11	3.52	-114.71
COC1=CC(OC)=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCCC3)=NC2=C1	REAL300013568989	1	45	-2.0	-115.77	379.69	4.79	-110.98
COC1=CC(OC)=C2SC([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)=NC2=C1	REAL300013568990	1	45	-2.0	-102.53	370.56	6.26	-96.27
COC1=CC(OC)=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCC3)=NC2=C1	REAL300013568991	1	42	-2.0	-114.00	361.71	4.09	-109.91
COC1=CC(OC)=C2SC([N-]C(=O)NCC(CC(=O)[O-])C3CC3)=NC2=C1	REAL300013568992	1	45	-2.0	-114.10	386.74	4.73	-109.37
COC1=CC(OC)=C2SC([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)=NC2=C1	REAL300013568993	1	45	-2.0	-105.30	370.58	5.80	-99.50
COC1=CC(OC)=C2SC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=NC2=C1	REAL300013568994	1	50	-2.0	-117.32	407.74	5.12	-112.20
COC1=CC(OC)=C2SC([N-]C(=O)NCC3(C(=O)[O-])CC3)=NC2=C1	REAL300013568995	1	39	-2.0	-113.32	346.88	3.68	-109.64
COC1=CC(OC)=C2SC([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])=NC2=C1	REAL300013568996	1	42	-2.0	-126.10	372.60	4.97	-121.13
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC(OC)=CC(OC)=C3S2)C1	REAL300013568997	1	46	-2.0	-115.08	393.24	4.05	-111.03
COC1=CC(OC)=C2SC([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=NC2=C1	REAL300013568998	1	39	-2.0	-102.34	346.67	3.30	-99.04
COC1=CC(OC)=C2SC([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)=NC2=C1	REAL300013569000	1	42	-2.0	-110.01	357.48	5.51	-104.50
COC1=CC(OC)=C2SC([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)=NC2=C1	REAL300013569001	1	42	-2.0	-110.36	358.60	5.57	-104.79
COC1=CC(OC)=C2SC([N-]C(=O)NC3CC(C(=O)[O-])C3)=NC2=C1	REAL300013569002	1	39	-2.0	-102.43	346.31	3.31	-99.12
COC1=CC(OC)=C2SC([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=NC2=C1	REAL300013569003	1	39	-2.0	-101.84	346.58	3.34	-98.50
COC1=CC(OC)=C2SC([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)=NC2=C1	REAL300013569004	1	42	-2.0	-107.07	379.00	4.84	-102.23
CCC(CNC(=O)[N-]C1=NC2=CC(OC)=CC(OC)=C2S1)C(=O)[O-]	REAL300013569005	1	41	-2.0	-113.21	360.23	3.40	-109.81
COC1=CC(OC)=C2SC([N-]C(=O)N3CCCCC3CCC(=O)[O-])=NC2=C1	REAL300013569006	1	48	-2.0	-123.93	391.65	6.93	-117.00
COC1=CC(OC)=C2SC([N-]C(=O)NCCCCCCCC(=O)[O-])=NC2=C1	REAL300013569007	1	50	-2.0	-98.79	427.23	5.86	-92.93
COC1=CC(OC)=C2SC([N-]C(=O)NCCCCCCC(=O)[O-])=NC2=C1	REAL300013569008	1	47	-2.0	-100.42	405.73	5.08	-95.34
COC1=CC(OC)=C2SC([N-]C(=O)N(C)CCCC(=O)[O-])=NC2=C1	REAL300013569009	1	41	-2.0	-111.17	360.98	5.40	-105.77
COC1=CC(OC)=C2SC([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)=NC2=C1	REAL300013569010	1	45	-2.0	-109.62	373.23	6.27	-103.35
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=CC(OC)=CC(OC)=C2S1	REAL300013569011	1	45	-2.0	-112.10	392.66	4.76	-107.34
COC1=CC(OC)=C2SC([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)=NC2=C1	REAL300013569012	1	48	-2.0	-107.40	398.25	6.96	-100.44
COC1=CC(OC)=C2SC([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)=NC2=C1	REAL300013569013	1	43	-2.0	-96.10	370.06	4.20	-91.90
COC1=CC(OC)=C2SC([N-]C(=O)N3CC(C(=O)[O-])CCC3C)=NC2=C1	REAL300013569014	1	45	-2.0	-109.79	373.35	6.11	-103.68
COC1=CC(OC)=C2SC([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)=NC2=C1	REAL300013569015	1	43	-2.0	-108.02	367.49	3.08	-104.94
COC1=CC(OC)=C2SC([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)=NC2=C1	REAL300013569016	0	39	-2.0	-107.78	355.70	5.46	-102.32
COC1=CC(OC)=C2SC([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)=NC2=C1	REAL300013569017	1	40	-2.0	-105.20	356.44	3.53	-101.67
COC1=CC(OC)=C2SC([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=NC2=C1	REAL300013569018	1	45	-2.0	-106.86	377.19	4.96	-101.90
COC1=CC(OC)=C2SC([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)=NC2=C1	REAL300013569019	1	48	-2.0	-99.59	400.06	5.23	-94.36
COC1=CC(OC)=C2SC([N-]C(=O)N3CCC(CC(=O)[O-])CC3)=NC2=C1	REAL300013569020	1	45	-2.0	-101.86	375.65	6.20	-95.66
COC1=CC(OC)=C2SC([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)=NC2=C1	REAL300013569021	1	46	-2.0	-102.84	392.25	5.63	-97.21
COC1=CC(OC)=C2SC([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=NC2=C1	REAL300013569022	1	45	-2.0	-102.35	381.10	4.50	-97.85
COC1=CC(OC)=C2SC([N-]C(=O)NC3CCCC(C(=O)[O-])C3)=NC2=C1	REAL300013569023	1	45	-2.0	-102.78	377.19	4.94	-97.84
COC1=CC(OC)=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)=NC2=C1	REAL300013569024	1	46	-2.0	-115.26	383.57	3.11	-112.15
COC1=CC(OC)=C2SC([N-]C(=O)NCC3(C(=O)[O-])CCOC3)=NC2=C1	REAL300013569025	1	43	-2.0	-111.43	368.38	2.07	-109.36
COC1=CC(OC)=C2SC([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)=NC2=C1	REAL300013569026	1	43	-2.0	-132.11	366.74	5.78	-126.33
COC1=CC(OC)=C2SC([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=NC2=C1	REAL300013569027	1	40	-2.0	-106.33	357.85	4.03	-102.30
COC1=CC(OC)=C2SC([N-]C(=O)NCC3(C(=O)[O-])CC3)=NC2=C1	REAL300013569028	1	39	-2.0	-113.32	346.88	3.68	-109.64
COC1=CC(OC)=C2SC([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=NC2=C1	REAL300013569029	1	46	-2.0	-106.23	385.43	6.14	-100.09
COC1=CC(OC)=C2SC([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)=NC2=C1	REAL300013569030	1	43	-2.0	-108.10	365.79	4.76	-103.34
COC1=CC(OC)=C2SC([N-]C(=O)N3CC(OC)CC(C(=O)[O-])C3)=NC2=C1	REAL300013569031	1	46	-2.0	-107.75	390.77	4.54	-103.21
COC1=CC(OC)=C2SC([N-]C(=O)N3CCC(C(=O)[O-])C3)=NC2=C1	REAL300013569032	1	39	-2.0	-106.42	343.11	4.43	-101.99
COC1=CC(OC)=C2SC([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=NC2=C1	REAL300013569033	1	40	-2.0	-104.28	357.45	4.04	-100.24
COC1=CC(OC)=C2SC([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)=NC2=C1	REAL300013569034	1	48	-2.0	-122.73	385.39	5.93	-116.80
COC1=CC(OC)=C2SC([N-]C(=O)NC(C)CCC(=O)[O-])=NC2=C1	REAL300013569035	1	41	-2.0	-103.69	360.99	3.73	-99.96
CCC1=C(C)N=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013569036	0	37	-2.0	-99.80	331.63	6.54	-93.26
CCC1=C(C)N=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013569037	1	37	-2.0	-97.29	334.90	5.92	-91.37
CCC1=C(C)N=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013569038	1	40	-2.0	-101.76	337.52	5.58	-96.18
CCC1=C(C)N=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013569039	1	37	-2.0	-105.38	334.90	5.91	-99.47
CCC1=C(C)N=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013569040	1	47	-2.0	-106.14	386.31	9.94	-96.20
CCC1=C(C)N=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013569041	0	40	-2.0	-96.45	353.03	7.34	-89.11
CCC1=C(C)N=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013569042	1	40	-2.0	-107.49	334.84	7.20	-100.29
CCC1=C(C)N=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013569043	1	40	-2.0	-103.71	327.67	6.92	-96.79
CCC1=C(C)N=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013569044	1	40	-2.0	-108.96	329.66	7.04	-101.92
CCC1=C(C)N=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013569045	1	41	-2.0	-112.01	337.62	3.98	-108.03
CCC1=C(C)N=C([N-]C(=O)NCC(CC)(CC)C(=O)[O-])S1	REAL300013569046	1	42	-2.0	-114.18	343.13	5.50	-108.68
CCC1=C(C)N=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013569047	1	48	-2.0	-99.14	393.78	7.45	-91.69
CCC1=C(C)N=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013569048	1	46	-2.0	-107.73	372.21	6.97	-100.76
CCC1=C(C)N=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013569049	1	43	-2.0	-115.49	361.03	7.37	-108.12
CCC1=C(C)N=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013569050	1	43	-2.0	-99.77	354.24	8.08	-91.69
CCC1=C(C)N=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013569051	1	39	-2.0	-116.74	330.96	4.57	-112.17
CCC1=C(C)N=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013569052	1	40	-2.0	-114.57	335.99	5.87	-108.70
CCC1=C(C)N=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013569053	1	40	-2.0	-100.51	326.89	7.36	-93.15
CCC1=C(C)N=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013569054	1	40	-2.0	-112.69	343.04	5.81	-106.88
CCC1=C(C)N=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013569055	1	40	-2.0	-103.71	327.67	6.92	-96.79
CCC1=C(C)N=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013569056	1	45	-2.0	-101.76	369.05	6.41	-95.35
CCC1=C(C)N=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013569057	1	37	-2.0	-125.12	328.50	6.03	-119.09
CCC1=C(C)N=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)S1	REAL300013569058	1	41	-2.0	-113.65	349.55	5.13	-108.52
CCC1=C(C)N=C([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)S1	REAL300013569060	1	47	-2.0	-127.06	391.75	8.04	-119.02
CCC1=C(C)N=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013569061	1	37	-2.0	-105.38	334.90	5.91	-99.47
CCC1=C(C)N=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013569062	1	43	-2.0	-121.66	347.23	7.98	-113.68
CCC1=C(C)N=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013569063	1	45	-2.0	-96.89	383.53	6.94	-89.95
CCC1=C(C)N=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013569064	1	42	-2.0	-98.54	362.03	6.16	-92.38
CCC1=C(C)N=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013569065	1	40	-2.0	-107.94	329.23	7.34	-100.60
CCC1=C(C)N=C([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)S1	REAL300013569066	1	44	-2.0	-111.73	361.29	6.49	-105.24
CCC1=C(C)N=C([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)S1	REAL300013569067	1	46	-2.0	-110.77	387.86	8.06	-102.71
CCC1=C(C)N=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013569068	1	43	-2.0	-105.70	354.16	8.04	-97.66
CCC1=C(C)N=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013569069	1	41	-2.0	-128.89	347.13	9.23	-119.66
CCC1=C(C)N=C([N-]C(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)S1	REAL300013569070	1	48	-2.0	-100.13	401.46	6.21	-93.92
CCC1=C(C)N=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013569071	1	38	-2.0	-94.52	326.75	5.40	-89.12
CCC1=C(C)N=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013569072	1	40	-2.0	-106.37	329.09	7.21	-99.16
CCC1=C(C)N=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013569073	1	44	-2.0	-109.43	376.31	9.03	-100.40
CCC1=C(C)N=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013569074	1	38	-2.0	-106.28	323.87	4.17	-102.11
CCC1=C(C)N=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013569075	1	41	-2.0	-101.44	353.14	6.91	-94.53
CCC1=C(C)N=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013569076	1	44	-2.0	-134.76	363.21	6.11	-128.65
CCC1=C(C)N=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013569077	0	34	-2.0	-106.17	312.01	6.54	-99.63
CCC1=C(C)N=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)S1	REAL300013569078	1	44	-2.0	-105.98	357.85	6.78	-99.20
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CCC1=C(C)N=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013569084	1	40	-2.0	-101.14	337.53	5.58	-95.56
CCC1=C(C)N=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013569085	1	40	-2.0	-101.15	337.52	5.58	-95.57
CCC1=C(C)N=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013569086	1	41	-2.0	-114.22	339.47	4.17	-110.05
CCC1=C(C)N=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013569087	1	38	-2.0	-110.16	324.28	3.13	-107.03
CCC1=C(C)N=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013569088	1	38	-2.0	-130.46	323.05	6.85	-123.61
CCC1=C(C)N=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013569089	1	49	-2.0	-95.01	410.11	8.29	-86.72
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CCC1=C(C)N=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013569096	1	43	-2.0	-121.02	341.29	6.99	-114.03
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CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013569100	1	47	-2.0	-98.54	376.46	5.01	-93.53
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CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013569102	1	41	-2.0	-109.73	348.16	5.94	-103.79
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O=C([O-])CCCCNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013569104	1	44	-2.0	-101.94	371.42	4.85	-97.09
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)=CC=C1	REAL300013569105	1	45	-2.0	-106.94	387.69	6.18	-100.76
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013569106	1	38	-2.0	-106.79	328.43	3.28	-103.51
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013569107	1	47	-2.0	-99.12	392.92	5.64	-93.48
CC(O)(CNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013569108	1	42	-2.0	-104.52	356.93	1.62	-102.90
CC(C)(CNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013569109	1	44	-2.0	-108.06	363.28	4.74	-103.32
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)=C1	REAL300013569110	0	48	-2.0	-97.39	405.13	7.64	-89.75
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569111	1	45	-2.0	-104.77	369.91	6.30	-98.47
CC(CN(C)C(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013569112	1	44	-2.0	-112.09	362.49	6.49	-105.60
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569113	1	48	-2.0	-108.37	382.32	7.69	-100.68
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC1	REAL300013569114	1	48	-2.0	-104.46	379.27	7.12	-97.34
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CC1CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC1C(=O)[O-]	REAL300013569116	1	48	-2.0	-111.55	378.07	7.13	-104.42
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CC(C)(CCNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013569118	1	47	-2.0	-100.55	382.63	4.95	-95.60
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013569119	1	50	-2.0	-115.20	392.86	6.09	-109.11
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CC(CNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013569121	1	41	-2.0	-107.47	346.97	4.04	-103.43
CC(C)C(CNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013569122	1	47	-2.0	-115.01	385.71	5.22	-109.79
CC(NC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013569123	1	54	-2.0	-108.87	422.01	6.68	-102.19
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O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCCC1	REAL300013569127	1	48	-2.0	-115.39	386.61	5.86	-109.53
CC1CN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCC1C(=O)[O-]	REAL300013569128	1	48	-2.0	-105.69	385.68	7.44	-98.25
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCC1	REAL300013569129	1	45	-2.0	-114.54	370.41	5.43	-109.11
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C1CC1	REAL300013569130	1	48	-2.0	-99.74	388.07	6.65	-93.09
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC1	REAL300013569131	1	48	-2.0	-104.46	379.27	7.12	-97.34
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)CC(=O)[O-]	REAL300013569132	1	53	-2.0	-113.98	416.10	6.47	-107.51
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC1	REAL300013569133	1	42	-2.0	-113.13	355.21	4.90	-108.23
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013569134	1	45	-2.0	-126.98	381.32	6.28	-120.70
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569135	1	49	-2.0	-118.35	403.49	5.38	-112.97
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569136	1	42	-2.0	-101.94	355.02	4.63	-97.31
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569138	1	45	-2.0	-110.00	366.16	6.86	-103.14
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569139	1	45	-2.0	-110.45	367.27	6.92	-103.53
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569140	1	42	-2.0	-101.61	354.87	4.68	-96.93
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569141	1	42	-2.0	-101.29	355.22	4.67	-96.62
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)=CC=C1	REAL300013569142	1	45	-2.0	-106.94	387.69	6.18	-100.76
CCC(CNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013569143	1	44	-2.0	-112.90	368.93	4.74	-108.16
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013569144	1	51	-2.0	-123.63	400.02	8.25	-115.38
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013569145	1	53	-2.0	-98.14	435.92	7.20	-90.94
O=C([O-])CCCCCCNC(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013569146	1	50	-2.0	-99.82	414.42	6.42	-93.40
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013569147	1	44	-2.0	-110.26	369.66	6.75	-103.51
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569148	1	48	-2.0	-109.68	381.93	7.60	-102.08
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569149	1	52	-2.0	-113.77	413.94	6.78	-106.99
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013569150	1	48	-2.0	-111.45	401.35	6.11	-105.34
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569151	1	51	-2.0	-107.27	406.99	8.32	-98.95
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC1	REAL300013569152	1	46	-2.0	-95.57	378.75	5.55	-90.02
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2CCCOC2)S1	REAL300013569153	1	48	-2.0	-109.26	383.26	7.50	-101.76
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569154	1	46	-2.0	-107.68	376.25	4.44	-103.24
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)=C1	REAL300013569155	0	42	-2.0	-108.18	364.39	6.80	-101.38
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC1	REAL300013569156	1	52	-2.0	-107.85	410.23	7.03	-100.82
O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(CC4CCCOC4)S3)(C1)C2	REAL300013569157	1	43	-2.0	-105.04	364.90	4.92	-100.12
O=C([O-])CC1(CNC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCCCC1	REAL300013569158	1	54	-2.0	-118.55	411.32	6.85	-111.70
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC1	REAL300013569159	1	48	-2.0	-106.49	384.29	6.30	-100.19
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC1	REAL300013569160	1	51	-2.0	-99.35	410.06	6.59	-92.76
O=C([O-])CC1CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC1	REAL300013569161	1	48	-2.0	-101.34	384.35	7.56	-93.78
O=C([O-])COC1CCN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CC1	REAL300013569162	1	49	-2.0	-102.44	400.95	6.98	-95.46
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569163	1	48	-2.0	-102.63	390.33	5.85	-96.78
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569164	1	48	-2.0	-102.55	390.32	5.85	-96.70
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCCOC1	REAL300013569165	1	49	-2.0	-115.81	392.26	4.43	-111.38
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CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)CCO1	REAL300013569171	1	46	-2.0	-107.98	374.45	6.10	-101.88
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3CCCOC3)S2)C1	REAL300013569172	1	49	-2.0	-107.86	399.47	5.89	-101.97
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CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569182	1	41	-2.0	-107.25	348.23	5.92	-101.33
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569183	1	48	-2.0	-100.77	390.39	5.83	-94.94
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569184	1	44	-2.0	-99.56	371.49	4.83	-94.73
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)=CC=C1	REAL300013569185	1	45	-2.0	-104.60	387.51	6.23	-98.37
O=C([O-])CCNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569186	1	38	-2.0	-104.28	328.49	3.26	-101.02
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569187	1	47	-2.0	-96.68	392.98	5.61	-91.07
CC(O)(CNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013569188	1	42	-2.0	-102.07	356.57	1.54	-100.53
CC(C)(CNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013569189	1	44	-2.0	-105.57	363.34	4.73	-100.84
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)=C1	REAL300013569190	0	48	-2.0	-95.29	405.48	7.58	-87.71
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569191	1	45	-2.0	-102.48	371.39	6.33	-96.15
CC(CN(C)C(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013569192	1	44	-2.0	-103.57	362.31	6.24	-97.33
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569193	1	48	-2.0	-105.53	383.03	7.69	-97.84
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569194	1	48	-2.0	-102.17	379.34	7.10	-95.07
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569195	1	41	-2.0	-98.21	349.99	4.05	-94.16
CC1CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1C(=O)[O-]	REAL300013569196	1	48	-2.0	-109.30	385.71	7.39	-101.91
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCOCC1	REAL300013569197	1	49	-2.0	-108.78	391.06	4.03	-104.75
CC(C)(CCNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013569198	1	47	-2.0	-98.09	383.27	4.93	-93.16
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013569199	1	50	-2.0	-112.03	392.92	6.07	-105.96
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCC1	REAL300013569200	1	45	-2.0	-115.46	369.93	5.49	-109.97
CC(CNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013569201	1	41	-2.0	-104.49	346.15	4.00	-100.49
CC(C)C(CNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013569202	1	47	-2.0	-112.01	385.78	5.20	-106.81
CC(NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013569203	1	54	-2.0	-106.81	424.96	7.20	-99.61
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569204	1	45	-2.0	-97.59	371.37	5.33	-92.26
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569205	1	51	-2.0	-98.99	406.47	8.38	-90.61
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC=C(CC3CCOCC3)S1)C2	REAL300013569206	1	47	-2.0	-115.69	383.60	4.91	-110.78
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCCC1	REAL300013569207	1	48	-2.0	-112.25	386.68	5.83	-106.42
CC1CN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCC1C(=O)[O-]	REAL300013569208	1	48	-2.0	-103.17	385.46	7.48	-95.69
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCC1	REAL300013569209	1	45	-2.0	-111.48	370.47	5.40	-106.08
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C1CC1	REAL300013569210	1	48	-2.0	-111.91	395.26	6.12	-105.79
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569211	1	48	-2.0	-102.17	379.34	7.10	-95.07
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)CC(=O)[O-]	REAL300013569212	1	53	-2.0	-113.54	416.51	6.47	-107.07
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569213	1	42	-2.0	-111.18	355.42	5.06	-106.12
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569214	1	45	-2.0	-123.61	381.38	6.26	-117.35
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569215	1	49	-2.0	-115.99	403.55	5.35	-110.64
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569216	1	42	-2.0	-99.56	355.07	4.61	-94.95
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569218	1	45	-2.0	-107.52	366.23	6.84	-100.68
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569219	1	45	-2.0	-107.78	367.37	6.88	-100.90
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569220	1	42	-2.0	-99.01	354.93	4.66	-94.35
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569221	1	42	-2.0	-98.94	355.35	4.66	-94.28
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)=CC=C1	REAL300013569222	1	45	-2.0	-104.60	387.51	6.23	-98.37
CCC(CNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013569223	1	44	-2.0	-109.32	363.97	4.82	-104.50
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569224	1	51	-2.0	-121.10	400.08	8.23	-112.87
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569225	1	53	-2.0	-95.84	435.98	7.17	-88.67
O=C([O-])CCCCCCNC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569226	1	50	-2.0	-97.51	414.48	6.39	-91.12
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569227	1	44	-2.0	-108.04	369.73	6.72	-101.32
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569228	1	48	-2.0	-107.16	381.99	7.58	-99.58
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569229	1	52	-2.0	-111.32	414.00	6.75	-104.57
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569230	1	48	-2.0	-108.36	401.38	6.08	-102.28
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569231	1	51	-2.0	-104.79	407.02	8.28	-96.51
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569232	1	46	-2.0	-93.01	378.81	5.52	-87.49
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569233	1	48	-2.0	-106.34	382.10	7.42	-98.92
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569234	1	46	-2.0	-105.26	376.31	4.42	-100.84
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)=C1	REAL300013569235	0	42	-2.0	-105.31	364.46	6.77	-98.54
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569236	1	52	-2.0	-104.97	410.29	7.01	-97.96
O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(CC4CCOCC4)S3)(C1)C2	REAL300013569237	1	43	-2.0	-102.52	365.20	4.84	-97.68
O=C([O-])CC1(CNC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCCCC1	REAL300013569238	1	54	-2.0	-115.35	411.38	6.83	-108.52
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569239	1	48	-2.0	-103.19	384.65	6.22	-96.97
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569240	1	51	-2.0	-96.97	410.14	6.56	-90.41
O=C([O-])CC1CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569241	1	48	-2.0	-99.12	384.16	7.60	-91.52
O=C([O-])COC1CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569242	1	49	-2.0	-100.04	400.76	7.03	-93.01
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569243	1	48	-2.0	-100.00	390.38	5.83	-94.17
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569244	1	48	-2.0	-99.52	385.42	6.24	-93.28
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCCOC1	REAL300013569245	1	49	-2.0	-112.80	392.32	4.42	-108.38
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCOC1	REAL300013569246	1	46	-2.0	-109.17	376.92	3.46	-105.71
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569247	1	46	-2.0	-129.14	375.08	7.08	-122.06
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC=C(CC3CCOCC3)S1)C2	REAL300013569248	1	43	-2.0	-103.51	366.60	5.33	-98.18
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569249	1	42	-2.0	-111.18	355.42	5.06	-106.12
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CC12CCC2	REAL300013569250	1	49	-2.0	-104.00	395.34	7.50	-96.50
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCO1	REAL300013569251	1	46	-2.0	-105.67	374.26	6.16	-99.51
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569252	1	49	-2.0	-105.30	399.43	5.84	-99.46
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3CCOCC3)S2)C1	REAL300013569253	1	42	-2.0	-103.38	352.25	5.75	-97.63
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC=C(CC3CCOCC3)S1)C2	REAL300013569254	1	43	-2.0	-101.53	366.19	5.35	-96.18
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3CCOCC3)S2)CCCCC1	REAL300013569255	1	51	-2.0	-119.78	394.15	7.24	-112.54
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2CCOCC2)S1	REAL300013569256	1	44	-2.0	-100.54	369.74	5.05	-95.49
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569257	1	42	-2.0	-103.70	352.10	6.31	-97.39
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)=C1	REAL300013569258	0	42	-2.0	-99.74	367.84	6.10	-93.64
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C=C1	REAL300013569259	1	42	-2.0	-97.45	372.43	5.55	-91.90
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569260	1	44	-2.0	-97.38	361.21	4.38	-93.00
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCO1	REAL300013569261	1	40	-2.0	-107.14	343.68	4.67	-102.47
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569262	1	38	-2.0	-108.40	332.92	5.31	-103.09
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569263	1	45	-2.0	-101.78	374.14	5.15	-96.63
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569264	1	41	-2.0	-100.80	356.17	4.22	-96.58
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3CCOC3)S2)=CC=C1	REAL300013569265	1	42	-2.0	-105.38	371.51	5.48	-99.90
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569266	1	44	-2.0	-97.98	377.67	5.00	-92.98
CC(O)(CNC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013569267	1	39	-2.0	-103.26	341.68	0.99	-102.27
CC(C)(CNC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013569268	1	41	-2.0	-106.68	348.03	4.10	-102.58
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)=C1	REAL300013569269	0	45	-2.0	-96.24	389.24	6.90	-89.34
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569270	1	42	-2.0	-103.51	355.17	5.66	-97.85
CC(CN(C)C(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013569271	1	41	-2.0	-111.04	347.15	5.83	-105.21
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569272	1	45	-2.0	-107.17	367.07	7.06	-100.11
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569273	1	45	-2.0	-103.33	364.02	6.49	-96.84
O=C([O-])CCCNC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569274	1	38	-2.0	-99.63	334.67	3.44	-96.19
CC1CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1C(=O)[O-]	REAL300013569275	1	45	-2.0	-110.01	361.91	6.43	-103.58
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCOCC1	REAL300013569276	1	46	-2.0	-111.72	373.85	3.54	-108.18
CC(C)(CCNC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013569277	1	44	-2.0	-99.10	367.05	4.26	-94.84
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013569278	1	47	-2.0	-113.19	376.71	5.40	-107.79
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCC1	REAL300013569279	1	42	-2.0	-116.79	354.19	4.87	-111.92
CC(CNC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013569280	1	38	-2.0	-106.05	332.53	3.43	-102.62
CC(C)C(CNC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013569281	1	44	-2.0	-112.51	364.20	4.73	-107.78
CC(NC(=O)[N-]C1=NC=C(CC2CCOC2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013569282	1	51	-2.0	-107.17	403.95	5.87	-101.30
CC(CNC(=O)[N-]C1=NC=C(CC2CCOC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013569283	1	48	-2.0	-115.68	398.17	7.00	-108.68
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569284	1	42	-2.0	-98.71	352.66	4.59	-94.12
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569285	1	48	-2.0	-100.15	391.41	7.70	-92.45
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC=C(CC3CCOC3)S1)C2	REAL300013569286	1	44	-2.0	-103.71	366.79	4.25	-99.46
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCCC1	REAL300013569287	1	45	-2.0	-114.49	372.22	5.43	-109.06
CC1CN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCC1C(=O)[O-]	REAL300013569288	1	45	-2.0	-104.39	370.43	6.81	-97.58
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCC1	REAL300013569289	1	42	-2.0	-112.62	354.25	4.73	-107.89
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C1CC1	REAL300013569290	1	45	-2.0	-112.53	379.25	5.36	-107.17
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569291	1	45	-2.0	-103.33	364.02	6.49	-96.84
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(CC2CCOC2)S1)CC(=O)[O-]	REAL300013569292	1	50	-2.0	-114.27	400.24	5.80	-108.47
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569293	1	39	-2.0	-112.35	340.32	4.38	-107.97
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569294	1	42	-2.0	-125.01	365.12	5.60	-119.41
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569295	1	46	-2.0	-116.98	388.24	4.74	-112.24
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569296	1	39	-2.0	-100.43	338.84	3.94	-96.49
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569298	1	42	-2.0	-108.53	350.58	6.18	-102.35
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569299	1	42	-2.0	-108.92	350.98	6.20	-102.72
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569300	1	39	-2.0	-101.05	340.14	4.00	-97.05
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569301	1	39	-2.0	-99.81	339.06	3.98	-95.83
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(CC3CCOC3)S2)=CC=C1	REAL300013569302	1	42	-2.0	-105.38	371.51	5.48	-99.90
CCC(CNC(=O)[N-]C1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013569303	1	41	-2.0	-111.30	352.77	4.05	-107.25
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569304	1	48	-2.0	-121.99	384.43	7.59	-114.40
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569305	1	50	-2.0	-97.10	420.67	6.56	-90.54
O=C([O-])CCCCCCNC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569306	1	47	-2.0	-98.77	399.17	5.78	-92.99
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569307	1	41	-2.0	-108.81	353.51	6.05	-102.76
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569308	1	45	-2.0	-108.14	365.77	6.91	-101.23
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569309	1	49	-2.0	-112.22	397.77	6.08	-106.14
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569310	1	45	-2.0	-110.28	386.11	5.47	-104.81
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569311	1	48	-2.0	-105.85	391.71	7.67	-98.18
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC2=CC=CC=C21	REAL300013569312	1	46	-2.0	-128.28	383.40	8.79	-119.49
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569313	1	43	-2.0	-93.99	362.59	4.86	-89.13
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569314	1	45	-2.0	-107.21	366.36	6.81	-100.40
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569315	1	43	-2.0	-106.45	360.01	3.72	-102.73
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C2=CC=CC=C21	REAL300013569316	1	46	-2.0	-102.58	394.68	6.76	-95.82
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1=O	REAL300013569317	1	49	-2.0	-134.27	400.30	5.75	-128.52
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)=C1	REAL300013569318	0	39	-2.0	-106.16	348.23	6.10	-100.06
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569319	1	49	-2.0	-106.14	394.07	6.34	-99.80
O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(CC4CCOC4)S3)(C1)C2	REAL300013569320	1	40	-2.0	-103.52	348.98	4.17	-99.35
O=C([O-])CC1(CNC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCCCC1	REAL300013569321	1	51	-2.0	-119.10	396.08	6.20	-112.90
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569322	1	45	-2.0	-104.76	367.53	5.53	-99.23
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569323	1	48	-2.0	-98.10	393.91	5.89	-92.21
O=C([O-])CC1CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569324	1	45	-2.0	-100.25	369.10	6.92	-93.33
O=C([O-])COC1CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569325	1	46	-2.0	-100.91	384.79	6.29	-94.62
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569326	1	45	-2.0	-101.44	374.92	5.20	-96.24
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569327	1	45	-2.0	-101.11	370.64	5.64	-95.47
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCCOC1	REAL300013569328	1	46	-2.0	-114.47	377.01	3.81	-110.66
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCOC1	REAL300013569329	1	43	-2.0	-110.00	361.82	2.77	-107.23
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569330	1	43	-2.0	-130.02	359.35	6.47	-123.55
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC=C(CC3CCOC3)S1)C2	REAL300013569331	1	40	-2.0	-104.67	348.50	4.60	-100.07
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC1	REAL300013569332	1	39	-2.0	-112.35	340.32	4.38	-107.97
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CC12CCC2	REAL300013569333	1	46	-2.0	-104.92	379.12	6.83	-98.09
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569334	1	42	-2.0	-104.09	371.01	5.90	-98.19
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCO1	REAL300013569335	1	43	-2.0	-106.55	358.31	5.41	-101.14
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569336	1	46	-2.0	-106.30	383.21	5.17	-101.13
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(CC3CCOC3)S2)C1	REAL300013569337	1	39	-2.0	-104.37	336.03	5.08	-99.29
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC=C(CC3CCOC3)S1)C2	REAL300013569338	1	40	-2.0	-102.22	347.16	4.62	-97.60
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(CC3CCOC3)S2)CCCCC1	REAL300013569339	1	48	-2.0	-121.13	378.40	6.62	-114.51
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2CCOC2)S1	REAL300013569340	1	41	-2.0	-101.81	354.43	4.44	-97.37
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])CC3)S2)=C1	REAL300013570326	1	44	-2.0	-103.01	377.14	9.88	-93.13
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3=CC=CC(CC(=O)[O-])=C3)S2)=C1	REAL300013570327	0	44	-2.0	-99.57	393.81	9.74	-89.83
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3=CC=C(C(=O)[O-])C=C3)S2)=C1	REAL300013570328	1	44	-2.0	-96.97	397.48	9.13	-87.84
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S2)=C1	REAL300013570329	1	46	-2.0	-96.95	386.25	7.95	-89.00
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCOC(C(=O)[O-])C3)S2)=C1	REAL300013570330	1	42	-2.0	-106.86	368.71	8.25	-98.61
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)CCC(=O)[O-])S2)=C1	REAL300013570331	1	40	-2.0	-108.17	357.96	8.88	-99.29
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3CCC(C(=O)[O-])CC3)S2)=C1	REAL300013570332	1	47	-2.0	-101.64	400.11	8.79	-92.85
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCCCCC(=O)[O-])S2)=C1	REAL300013570333	1	43	-2.0	-100.47	381.21	7.80	-92.67
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)=C1	REAL300013570334	1	44	-2.0	-105.07	397.48	9.12	-95.95
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCCC(=O)[O-])S2)=C1	REAL300013570335	1	37	-2.0	-105.09	338.22	6.22	-98.87
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCCCCCC(=O)[O-])S2)=C1	REAL300013570336	1	46	-2.0	-97.64	402.71	8.58	-89.06
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S2)=C1	REAL300013570337	1	41	-2.0	-102.96	366.31	4.51	-98.45
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S2)=C1	REAL300013570338	1	43	-2.0	-106.30	373.07	7.68	-98.62
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)S2)=C1	REAL300013570339	0	47	-2.0	-96.27	415.21	10.55	-85.72
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])C3)S2)=C1	REAL300013570340	1	44	-2.0	-103.03	379.69	9.24	-93.79
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S2)=C1	REAL300013570341	1	43	-2.0	-104.50	372.04	9.20	-95.30
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(C)CC(C(=O)[O-])C3)S2)=C1	REAL300013570342	1	47	-2.0	-106.64	392.79	10.66	-95.98
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)S2)=C1	REAL300013570343	1	47	-2.0	-103.12	389.06	10.06	-93.06
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCCCC(=O)[O-])S2)=C1	REAL300013570344	1	40	-2.0	-99.14	359.72	7.02	-92.12
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)C(C(=O)[O-])C3)S2)=C1	REAL300013570345	1	47	-2.0	-110.12	395.43	10.36	-99.76
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCOCC3)S2)=C1	REAL300013570346	1	48	-2.0	-111.45	399.80	7.18	-104.27
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S2)=C1	REAL300013570347	1	46	-2.0	-99.01	392.42	7.88	-91.13
CCC(CC)(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013570348	1	49	-2.0	-113.68	405.31	8.70	-104.98
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(CC(=O)[O-])CCC3)S2)=C1	REAL300013570349	1	44	-2.0	-116.18	379.66	8.46	-107.72
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(C)C(=O)[O-])S2)=C1	REAL300013570350	1	40	-2.0	-105.65	357.59	7.01	-98.64
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S2)=C1	REAL300013570351	1	46	-2.0	-112.82	395.51	8.16	-104.66
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)S2)=C1	REAL300013570352	1	44	-2.0	-98.66	381.13	8.30	-90.36
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(CCC(=O)[O-])CC3)S2)=C1	REAL300013570353	1	50	-2.0	-99.47	416.45	11.28	-88.19
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)S2)=C1	REAL300013570354	1	46	-2.0	-116.41	393.54	7.80	-108.61
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCCC3)S2)=C1	REAL300013570355	1	47	-2.0	-113.06	396.41	8.80	-104.26
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])C(C)C3)S2)=C1	REAL300013570356	1	47	-2.0	-103.64	395.47	10.38	-93.26
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCC3)S2)=C1	REAL300013570357	1	44	-2.0	-112.35	380.20	8.37	-103.98
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(CC(=O)[O-])C3CC3)S2)=C1	REAL300013570358	1	47	-2.0	-112.60	405.22	9.01	-103.59
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C)(C(=O)[O-])CC3)S2)=C1	REAL300013570359	1	47	-2.0	-103.12	389.06	10.06	-93.06
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S2)=C1	REAL300013570360	1	52	-2.0	-115.60	426.23	9.40	-106.20
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)=C1	REAL300013570361	1	41	-2.0	-111.58	365.36	7.96	-103.62
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])S2)=C1	REAL300013570362	1	44	-2.0	-124.34	391.11	9.21	-115.13
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(C)=C3)S2)C1	REAL300013570363	1	48	-2.0	-116.93	413.28	8.32	-108.61
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)S2)=C1	REAL300013570364	1	41	-2.0	-100.51	364.79	7.57	-92.94
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)S2)=C1	REAL300013570366	1	44	-2.0	-108.46	376.63	9.83	-98.63
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)S2)=C1	REAL300013570367	1	44	-2.0	-108.59	377.08	9.85	-98.74
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3CC(C(=O)[O-])C3)S2)=C1	REAL300013570368	1	41	-2.0	-99.89	364.66	7.62	-92.27
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)=C1	REAL300013570369	1	41	-2.0	-99.97	364.73	7.62	-92.35
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)=C1	REAL300013570370	1	44	-2.0	-105.07	397.48	9.12	-95.95
CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1)C(=O)[O-]	REAL300013570371	1	43	-2.0	-110.31	373.69	7.80	-102.51
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCCC3CCC(=O)[O-])S2)=C1	REAL300013570372	1	50	-2.0	-121.99	409.81	11.20	-110.79
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S2)=C1	REAL300013570373	1	52	-2.0	-96.72	445.71	10.14	-86.58
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S2)=C1	REAL300013570374	1	49	-2.0	-98.43	424.21	9.36	-89.07
CC1=CC=CC(CC2=CN=C([N-]C(=O)N(C)CCCC(=O)[O-])S2)=C1	REAL300013570375	1	43	-2.0	-109.09	379.46	9.69	-99.40
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC(C)(C(=O)[O-])C3)S2)=C1	REAL300013570376	1	47	-2.0	-107.96	391.72	10.54	-97.42
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C)=C2)S1	REAL300013570377	1	47	-2.0	-109.46	411.11	9.05	-100.41
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)S2)=C1	REAL300013570378	1	50	-2.0	-105.67	416.75	11.26	-94.41
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)S2)=C1	REAL300013570379	1	45	-2.0	-93.92	388.54	8.49	-85.43
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(C(=O)[O-])CCC3C)S2)=C1	REAL300013570380	1	47	-2.0	-107.45	391.84	10.39	-97.06
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)S2)=C1	REAL300013570381	1	45	-2.0	-106.21	386.04	7.38	-98.83
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)S2)=C1	REAL300013570382	0	41	-2.0	-106.21	374.18	9.73	-96.48
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)S2)=C1	REAL300013570383	1	42	-2.0	-103.35	374.93	7.80	-95.55
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)S2)=C1	REAL300013570384	1	47	-2.0	-104.39	394.36	9.18	-95.21
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)S2)=C1	REAL300013570385	1	50	-2.0	-97.38	418.53	9.50	-87.88
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(CC(=O)[O-])CC3)S2)=C1	REAL300013570386	1	47	-2.0	-99.59	394.13	10.50	-89.09
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(OCC(=O)[O-])CC3)S2)=C1	REAL300013570387	1	48	-2.0	-100.57	410.74	9.92	-90.65
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)S2)=C1	REAL300013570388	1	47	-2.0	-100.85	400.10	8.79	-92.06
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3CCCC(C(=O)[O-])C3)S2)=C1	REAL300013570389	1	47	-2.0	-100.78	395.68	9.22	-91.56
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCCOC3)S2)=C1	REAL300013570390	1	48	-2.0	-113.64	402.05	7.37	-106.27
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCOC3)S2)=C1	REAL300013570391	1	45	-2.0	-109.66	386.86	6.35	-103.31
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)S2)=C1	REAL300013570392	1	45	-2.0	-130.20	384.80	10.04	-120.16
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)=C1	REAL300013570393	1	42	-2.0	-104.28	376.59	8.29	-95.99
CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)=C1	REAL300013570394	1	41	-2.0	-111.58	365.36	7.96	-103.62
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)S2)=C1	REAL300013570395	1	48	-2.0	-104.27	403.94	10.42	-93.85
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCOC(C)(C(=O)[O-])C3)S2)=C1	REAL300013570396	1	45	-2.0	-106.32	384.28	9.06	-97.26
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=CC(C)=C3)S2)C1	REAL300013570397	1	48	-2.0	-106.10	409.16	8.80	-97.30
CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])C3)S2)=C1	REAL300013570398	1	41	-2.0	-104.21	361.98	8.71	-95.50
CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)=C1	REAL300013570399	1	42	-2.0	-102.36	375.60	8.32	-94.04
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)S2)=C1	REAL300013570400	1	50	-2.0	-120.48	403.87	10.20	-110.28
CC1=CC=CC(CC2=CN=C([N-]C(=O)NC(C)CCC(=O)[O-])S2)=C1	REAL300013570401	1	43	-2.0	-101.57	379.47	8.01	-93.56
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572150	1	37	-2.0	-100.95	325.90	5.67	-95.28
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)=C1	REAL300013572151	0	37	-2.0	-92.81	340.49	5.09	-87.72
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C=C1	REAL300013572152	1	37	-2.0	-91.70	344.16	4.50	-87.20
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572153	1	39	-2.0	-90.92	332.95	3.29	-87.63
O=C([O-])C1CN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CCO1	REAL300013572154	1	35	-2.0	-105.15	317.51	4.03	-101.12
CN(CCC(=O)[O-])C(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572155	1	33	-2.0	-98.93	304.64	4.24	-94.69
O=C([O-])C1CCC(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572156	1	40	-2.0	-94.15	346.79	4.16	-89.99
O=C([O-])CCCCNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572157	1	36	-2.0	-93.08	327.91	3.14	-89.94
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)=CC=C1	REAL300013572158	1	37	-2.0	-98.64	344.16	4.48	-94.16
O=C([O-])CCNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572159	1	30	-2.0	-96.16	284.91	1.56	-94.60
O=C([O-])CCCCCNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572160	1	39	-2.0	-91.25	349.40	3.92	-87.33
CC(O)(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)[O-]	REAL300013572161	1	34	-2.0	-94.23	313.00	-0.15	-94.38
CC(C)(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)[O-]	REAL300013572162	1	36	-2.0	-97.22	320.35	3.02	-94.20
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)=C1	REAL300013572163	0	40	-2.0	-89.96	361.89	5.90	-84.06
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572164	1	37	-2.0	-101.03	328.51	5.02	-96.01
CC(CN(C)C(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)[O-]	REAL300013572165	1	36	-2.0	-95.95	317.86	4.50	-91.45
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572166	1	40	-2.0	-101.73	338.79	5.99	-95.74
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572167	1	40	-2.0	-96.53	335.75	5.40	-91.13
O=C([O-])CCCNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572168	1	33	-2.0	-92.19	306.41	2.36	-89.83
CC1CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1C(=O)[O-]	REAL300013572169	1	40	-2.0	-108.38	344.21	6.13	-102.25
O=C([O-])C1(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CCOCC1	REAL300013572170	1	41	-2.0	-101.66	347.47	2.36	-99.30
CC(C)(CCNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)[O-]	REAL300013572171	1	39	-2.0	-92.36	339.69	3.24	-89.12
CCC(CC)(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)[O-]	REAL300013572172	1	42	-2.0	-105.47	352.00	4.04	-101.43
O=C([O-])CC1(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CCC1	REAL300013572173	1	37	-2.0	-107.65	326.35	3.79	-103.86
CC(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)[O-]	REAL300013572174	1	33	-2.0	-96.58	304.27	2.35	-94.23
CC(C)C(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)[O-]	REAL300013572175	1	39	-2.0	-102.94	336.94	3.61	-99.33
CC(NC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013572176	1	46	-2.0	-99.75	381.46	5.55	-94.20
CC(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)(C(=O)[O-])C1=CC=CC=C1	REAL300013572177	1	43	-2.0	-107.73	375.27	5.70	-102.03
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572178	1	37	-2.0	-96.25	329.89	3.99	-92.26
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572179	1	43	-2.0	-97.74	365.21	7.05	-90.69
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC3=CC4=C(C=C3S1)OCO4)C2	REAL300013572180	1	39	-2.0	-106.87	340.27	3.15	-103.72
O=C([O-])C1(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CCCC1	REAL300013572181	1	40	-2.0	-105.60	344.87	4.41	-101.19
CC1CN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CCC1C(=O)[O-]	REAL300013572182	1	40	-2.0	-98.57	337.82	6.33	-92.24
O=C([O-])C1(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CCC1	REAL300013572183	1	37	-2.0	-104.39	326.88	3.73	-100.66
O=C([O-])CC(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C1CC1	REAL300013572184	1	40	-2.0	-102.71	351.90	4.37	-98.34
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572185	1	40	-2.0	-96.53	335.75	5.40	-91.13
CC(C)C[C@H](CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)CC(=O)[O-]	REAL300013572186	1	45	-2.0	-105.85	372.91	4.76	-101.09
O=C([O-])C1(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572187	1	34	-2.0	-103.93	312.05	3.30	-100.63
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572188	1	37	-2.0	-114.64	337.76	4.60	-110.04
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572189	1	41	-2.0	-111.64	360.48	4.12	-107.52
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572190	1	34	-2.0	-93.73	311.48	2.92	-90.81
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572192	1	37	-2.0	-106.73	324.72	5.59	-101.14
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572193	1	37	-2.0	-99.12	323.78	5.19	-93.93
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572194	1	34	-2.0	-93.73	311.48	2.94	-90.79
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572195	1	34	-2.0	-98.15	313.48	3.41	-94.74
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)=CC=C1	REAL300013572196	1	37	-2.0	-98.64	344.16	4.48	-94.16
CCC(CNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)[O-]	REAL300013572197	1	36	-2.0	-102.04	320.40	3.13	-98.91
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572198	1	43	-2.0	-111.45	356.49	6.54	-104.91
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572199	1	45	-2.0	-90.50	392.40	5.48	-85.02
O=C([O-])CCCCCCNC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572200	1	42	-2.0	-91.63	370.90	4.70	-86.93
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572201	1	36	-2.0	-101.04	326.15	5.02	-96.02
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572202	1	40	-2.0	-106.31	340.16	6.32	-99.99
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572203	1	44	-2.0	-110.03	372.21	5.48	-104.55
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572204	1	40	-2.0	-104.94	357.84	4.38	-100.56
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572205	1	43	-2.0	-104.11	365.54	7.03	-97.08
O=C([O-])C1CN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC2=CC=CC=C21	REAL300013572206	1	41	-2.0	-126.78	358.07	8.19	-118.59
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572207	1	38	-2.0	-88.01	335.23	3.83	-84.18
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572208	1	40	-2.0	-101.45	338.36	5.76	-95.69
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572209	1	38	-2.0	-104.53	334.80	3.15	-101.38
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C2=CC=CC=C21	REAL300013572210	1	41	-2.0	-94.16	362.41	5.49	-88.67
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)=C1	REAL300013572211	0	34	-2.0	-97.62	320.87	5.08	-92.54
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572212	1	44	-2.0	-103.65	368.78	5.75	-97.90
O=C([O-])C12CC(NC(=O)[N-]C3=NC4=CC5=C(C=C4S3)OCO5)(C1)C2	REAL300013572213	1	35	-2.0	-101.99	323.69	3.57	-98.42
O=C([O-])CC1(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CCCCC1	REAL300013572214	1	46	-2.0	-94.08	367.51	5.16	-88.92
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572215	1	40	-2.0	-101.89	343.11	4.97	-96.92
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572216	1	43	-2.0	-91.60	365.22	4.87	-86.73
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572217	1	40	-2.0	-97.39	342.90	6.28	-91.11
O=C([O-])COC1CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572218	1	41	-2.0	-98.79	359.50	5.70	-93.09
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572219	1	40	-2.0	-98.91	348.87	4.58	-94.33
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572220	1	40	-2.0	-94.07	341.83	4.57	-89.50
O=C([O-])C1(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CCCOC1	REAL300013572221	1	41	-2.0	-104.91	348.73	2.75	-102.16
O=C([O-])C1(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CCOC1	REAL300013572222	1	38	-2.0	-102.03	333.54	1.71	-100.32
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572223	1	38	-2.0	-127.68	333.98	5.84	-121.84
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC3=CC4=C(C=C3S1)OCO4)C2	REAL300013572224	1	35	-2.0	-97.81	323.02	3.66	-94.15
O=C([O-])C1(CNC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572225	1	34	-2.0	-103.93	312.05	3.30	-100.63
O=C([O-])C1CN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CC12CCC2	REAL300013572226	1	41	-2.0	-101.60	352.71	6.20	-95.40
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CCO1	REAL300013572227	1	38	-2.0	-104.75	333.05	4.81	-99.94
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572228	1	41	-2.0	-96.79	355.94	4.19	-92.60
O=C([O-])C1CCN(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C1	REAL300013572229	1	34	-2.0	-102.32	310.68	4.50	-97.82
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC3=CC4=C(C=C3S1)OCO4)C2	REAL300013572230	1	35	-2.0	-94.87	322.61	3.67	-91.20
O=C([O-])CC1(NC(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)CCCCC1	REAL300013572231	1	43	-2.0	-111.79	350.56	5.56	-106.23
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300013572232	1	36	-2.0	-94.78	326.16	3.36	-91.42
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572834	1	42	-2.0	-103.75	349.20	6.54	-97.21
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)=C1	REAL300013572835	0	42	-2.0	-100.14	365.87	6.39	-93.75
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C=C1	REAL300013572836	1	42	-2.0	-97.68	369.53	5.78	-91.90
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572837	1	44	-2.0	-97.73	358.32	4.60	-93.13
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCO1	REAL300013572838	1	40	-2.0	-107.06	340.80	4.88	-102.18
CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572839	1	38	-2.0	-108.41	330.03	5.53	-102.88
O=C([O-])C1CCC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572840	1	45	-2.0	-101.95	372.18	5.44	-96.51
O=C([O-])CCCCNC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572841	1	41	-2.0	-100.84	353.28	4.44	-96.40
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(C3CCCCO3)S2)=CC=C1	REAL300013572842	1	42	-2.0	-105.81	369.55	5.77	-100.04
O=C([O-])CCCCCNC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572843	1	44	-2.0	-98.18	374.78	5.23	-92.95
CC(O)(CNC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013572844	1	39	-2.0	-103.34	338.38	1.16	-102.18
CC(C)(CNC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013572845	1	41	-2.0	-106.67	345.14	4.34	-102.33
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)=C1	REAL300013572846	0	45	-2.0	-96.73	387.27	7.19	-89.54
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572847	1	42	-2.0	-105.12	353.75	5.84	-99.28
CC(CN(C)C(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013572848	1	41	-2.0	-111.23	345.17	6.11	-105.12
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572849	1	45	-2.0	-107.83	364.18	7.28	-100.55
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572850	1	45	-2.0	-103.81	361.11	6.71	-97.10
O=C([O-])CCCNC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572851	1	38	-2.0	-99.64	331.79	3.66	-95.98
CC1CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1C(=O)[O-]	REAL300013572852	1	45	-2.0	-109.98	359.99	6.71	-103.27
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCOCC1	REAL300013572853	1	46	-2.0	-112.32	371.86	3.82	-108.50
CC(C)(CCNC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013572854	1	44	-2.0	-99.59	364.49	4.53	-95.06
CCC(CC)(CNC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013572855	1	47	-2.0	-114.55	377.38	5.35	-109.20
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCC1	REAL300013572856	1	42	-2.0	-117.14	351.72	5.10	-112.04
CC(CNC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013572857	1	38	-2.0	-106.05	328.84	3.63	-102.42
CC(C)C(CNC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013572858	1	44	-2.0	-113.65	367.57	4.81	-108.84
CC(NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013572859	1	51	-2.0	-108.19	404.27	6.21	-101.98
CC(CNC(=O)[N-]C1=NC=C(C2CCCCO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013572860	1	48	-2.0	-117.16	400.66	6.99	-110.17
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572861	1	42	-2.0	-99.18	353.20	4.94	-94.24
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572862	1	48	-2.0	-100.30	388.51	7.92	-92.38
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC=C(C3CCCCO3)S1)C2	REAL300013572863	1	44	-2.0	-116.69	365.60	4.45	-112.24
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCCC1	REAL300013572864	1	45	-2.0	-115.01	370.23	5.71	-109.30
CC1CN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCC1C(=O)[O-]	REAL300013572865	1	45	-2.0	-101.14	361.21	7.20	-93.94
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCC1	REAL300013572866	1	42	-2.0	-113.26	352.26	5.02	-108.24
O=C([O-])CC(CNC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1CC1	REAL300013572867	1	45	-2.0	-112.80	377.29	5.66	-107.14
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572868	1	45	-2.0	-103.81	361.11	6.71	-97.10
CC(C)C[C@H](CNC(=O)[N-]C1=NC=C(C2CCCCO2)S1)CC(=O)[O-]	REAL300013572869	1	50	-2.0	-115.93	398.29	6.04	-109.89
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572870	1	39	-2.0	-112.49	337.42	4.60	-107.89
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572871	1	42	-2.0	-125.24	363.15	5.89	-119.35
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572872	1	46	-2.0	-113.74	383.78	4.98	-108.76
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572873	1	39	-2.0	-101.05	337.23	4.21	-96.84
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572875	1	42	-2.0	-108.66	348.68	6.48	-102.18
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572876	1	42	-2.0	-108.82	349.26	6.49	-102.33
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572877	1	39	-2.0	-101.16	337.24	4.22	-96.94
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572878	1	39	-2.0	-100.45	336.74	4.26	-96.19
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC=C(C3CCCCO3)S2)=CC=C1	REAL300013572879	1	42	-2.0	-105.81	369.55	5.77	-100.04
CCC(CNC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013572880	1	41	-2.0	-112.28	350.79	4.33	-107.95
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572881	1	48	-2.0	-121.90	382.48	7.88	-114.02
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572882	1	50	-2.0	-97.31	417.78	6.79	-90.52
O=C([O-])CCCCCCNC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572883	1	47	-2.0	-98.92	396.28	6.01	-92.91
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572884	1	41	-2.0	-109.33	351.53	6.34	-102.99
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572885	1	45	-2.0	-108.15	363.46	7.20	-100.95
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572886	1	49	-2.0	-111.00	394.85	7.00	-104.00
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572887	1	45	-2.0	-111.03	383.22	5.70	-105.33
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572888	1	48	-2.0	-105.84	388.91	7.89	-97.95
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC2=CC=CC=C21	REAL300013572889	1	46	-2.0	-129.17	381.36	9.08	-120.09
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572890	1	43	-2.0	-94.61	360.71	5.13	-89.48
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572891	1	45	-2.0	-108.95	365.11	7.09	-101.86
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572892	1	43	-2.0	-106.44	358.10	4.03	-102.41
O=C([O-])C1CC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C2=CC=CC=C21	REAL300013572893	1	46	-2.0	-101.76	387.73	6.76	-95.00
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1=O	REAL300013572894	1	49	-2.0	-134.73	397.83	5.98	-128.75
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)=C1	REAL300013572895	0	39	-2.0	-106.35	346.24	6.39	-99.96
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572896	1	49	-2.0	-106.60	392.08	6.63	-99.97
O=C([O-])C12CC(NC(=O)[N-]C3=NC=C(C4CCCCO4)S3)(C1)C2	REAL300013572897	1	40	-2.0	-103.62	347.10	4.45	-99.17
O=C([O-])CC1(CNC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCCCC1	REAL300013572898	1	51	-2.0	-118.00	393.02	6.45	-111.55
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572899	1	45	-2.0	-105.88	367.86	5.86	-100.02
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572900	1	48	-2.0	-98.57	391.91	6.19	-92.38
O=C([O-])CC1CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572901	1	45	-2.0	-100.50	366.20	7.15	-93.35
O=C([O-])COC1CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572902	1	46	-2.0	-101.35	382.79	6.57	-94.78
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572903	1	45	-2.0	-101.07	371.65	5.43	-95.64
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572904	1	45	-2.0	-101.55	367.74	5.86	-95.69
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCCOC1	REAL300013572905	1	46	-2.0	-114.47	374.11	4.02	-110.45
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCOC1	REAL300013572906	1	43	-2.0	-110.41	358.92	3.00	-107.41
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572907	1	43	-2.0	-130.48	356.87	6.69	-123.79
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NC=C(C3CCCCO3)S1)C2	REAL300013572908	1	40	-2.0	-105.00	348.51	4.94	-100.06
O=C([O-])C1(CNC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC1	REAL300013572909	1	39	-2.0	-112.49	337.42	4.60	-107.89
O=C([O-])C1CN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CC12CCC2	REAL300013572910	1	46	-2.0	-105.19	376.00	7.07	-98.12
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572911	1	42	-2.0	-110.25	368.79	6.14	-104.11
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCO1	REAL300013572912	1	43	-2.0	-106.62	356.45	5.70	-100.92
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572913	1	46	-2.0	-106.37	381.22	5.45	-100.92
O=C([O-])C1CCN(C(=O)[N-]C2=NC=C(C3CCCCO3)S2)C1	REAL300013572914	1	39	-2.0	-105.07	333.68	5.35	-99.72
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NC=C(C3CCCCO3)S1)C2	REAL300013572915	1	40	-2.0	-102.74	348.04	4.96	-97.78
O=C([O-])CC1(NC(=O)[N-]C2=NC=C(C3CCCCO3)S2)CCCCC1	REAL300013572916	1	48	-2.0	-121.53	375.94	6.85	-114.68
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(C2CCCCO2)S1	REAL300013572917	1	41	-2.0	-102.24	351.54	4.66	-97.58
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)=C1	REAL300013572918	0	35	-2.0	-102.41	314.96	6.46	-95.95
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NC3=C(CCC3)S2)C=C1	REAL300013572919	1	35	-2.0	-99.72	318.62	5.85	-93.87
O=C([O-])C1CCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013572920	1	38	-2.0	-104.31	321.26	5.52	-98.79
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(CCC3)S2)=CC=C1	REAL300013572921	1	35	-2.0	-107.88	318.63	5.85	-102.03
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013572922	1	45	-2.0	-108.76	369.66	9.87	-98.89
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)=C1	REAL300013572923	0	38	-2.0	-98.92	336.36	7.27	-91.65
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013572924	1	38	-2.0	-108.05	311.19	6.96	-101.09
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013572925	1	38	-2.0	-106.06	310.21	6.79	-99.27
CC1CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1C(=O)[O-]	REAL300013572926	1	38	-2.0	-106.13	306.93	6.41	-99.72
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCC3)S2)CCOCC1	REAL300013572927	1	39	-2.0	-112.74	321.94	3.73	-109.01
CCC(CC)(CNC(=O)[N-]C1=NC2=C(CCC2)S1)C(=O)[O-]	REAL300013572928	1	40	-2.0	-116.98	326.46	5.43	-111.55
O=C([O-])C1CC(=O)N(C2CCN(C(=O)[N-]C3=NC4=C(CCC4)S3)CC2)C1	REAL300013572929	1	46	-2.0	-102.01	377.13	7.36	-94.65
CC(NC(=O)[N-]C1=NC2=C(CCC2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013572930	1	44	-2.0	-110.20	356.26	6.88	-103.32
CC(CNC(=O)[N-]C1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013572931	1	41	-2.0	-119.63	349.74	7.07	-112.56
O=C([O-])CCC1CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013572932	1	41	-2.0	-98.87	335.54	7.60	-91.27
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NC3=C(CCC3)S1)C2	REAL300013572933	1	37	-2.0	-119.72	314.74	4.53	-115.19
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCC3)S2)CCCC1	REAL300013572934	1	38	-2.0	-116.32	317.55	5.53	-110.79
CC1CN(C(=O)[N-]C2=NC3=C(CCC3)S2)CCC1C(=O)[O-]	REAL300013572935	1	38	-2.0	-99.47	308.15	6.88	-92.59
O=C([O-])CC(CNC(=O)[N-]C1=NC2=C(CCC2)S1)C1CC1	REAL300013572936	1	38	-2.0	-115.66	326.37	5.74	-109.92
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013572937	1	38	-2.0	-106.06	310.21	6.79	-99.27
CC(C)C[C@H](CNC(=O)[N-]C1=NC2=C(CCC2)S1)CC(=O)[O-]	REAL300013572938	1	43	-2.0	-118.82	347.38	6.13	-112.69
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013572939	1	35	-2.0	-128.05	312.23	5.97	-122.08
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013572940	1	39	-2.0	-110.04	330.81	4.65	-105.39
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NC4=C(CCC4)S3)C2)C=N1	REAL300013572942	1	45	-2.0	-130.15	375.48	7.98	-122.17
O=C([O-])C1=CC(CNC(=O)[N-]C2=NC3=C(CCC3)S2)=CC=C1	REAL300013572943	1	35	-2.0	-107.88	318.63	5.85	-102.03
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NC3=C(CCC3)S1)CC2C(=O)[O-]	REAL300013572944	1	45	-2.0	-106.81	379.07	7.44	-99.37
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013572945	1	41	-2.0	-124.89	330.96	7.91	-116.98
O=C([O-])CCCCCCCNC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013572946	1	43	-2.0	-99.50	366.86	6.87	-92.63
O=C([O-])CCCCCCNC(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013572947	1	40	-2.0	-101.13	345.36	6.09	-95.04
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013572948	1	38	-2.0	-104.47	310.82	6.88	-97.59
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013572949	1	42	-2.0	-108.31	342.54	6.02	-102.29
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013572950	1	38	-2.0	-112.78	332.30	5.77	-107.01
O=C([O-])[C@]12CN(C(=O)[N-]C3=NC4=C(CCC4)S3)C[C@H]1C1=CC=CC=C1OC2	REAL300013572951	1	44	-2.0	-110.41	367.55	7.41	-103.00
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013572952	1	41	-2.0	-102.96	335.87	7.58	-95.38
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC2=CC=CC=C21	REAL300013572953	1	39	-2.0	-125.09	328.48	8.70	-116.39
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NC3=C(CCC3)S2)CCO1	REAL300013572954	1	46	-2.0	-98.00	383.13	5.75	-92.25
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013572955	1	36	-2.0	-96.70	309.69	5.22	-91.48
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013572956	1	38	-2.0	-109.01	312.82	7.15	-101.86
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NC3=C(CCC3)S2)C[C@H]1C1=CC=CC=C1	REAL300013572957	1	42	-2.0	-111.99	360.03	8.97	-103.02
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013572958	1	36	-2.0	-103.21	305.13	3.69	-99.52
O=C([O-])C1CC(NC(=O)[N-]C2=NC3=C(CCC3)S2)C2=CC=CC=C21	REAL300013572959	1	39	-2.0	-103.99	336.88	6.85	-97.14
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)C1=O	REAL300013572960	1	42	-2.0	-138.02	346.93	6.05	-131.97
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NC3=C(CCC3)S2)=C1	REAL300013572961	0	32	-2.0	-109.01	295.33	6.46	-102.55
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013572962	1	42	-2.0	-104.69	339.11	6.29	-98.40
O=C([O-])CC1(CNC(=O)[N-]C2=NC3=C(CCC3)S2)CCCCC1	REAL300013572963	1	44	-2.0	-103.79	341.98	6.53	-97.26
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013572964	1	38	-2.0	-104.33	313.45	5.51	-98.82
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013572965	1	41	-2.0	-96.73	337.63	5.82	-90.91
O=C([O-])CC1CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013572966	1	38	-2.0	-99.51	313.22	6.82	-92.69
O=C([O-])COC1CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC1	REAL300013572967	1	39	-2.0	-99.87	329.82	6.24	-93.63
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013572968	1	38	-2.0	-103.64	321.26	5.52	-98.12
O=C([O-])C1CCCC(NC(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013572969	1	38	-2.0	-103.28	316.30	5.93	-97.35
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCC3)S2)CCCOC1	REAL300013572970	1	39	-2.0	-116.98	323.20	4.11	-112.87
O=C([O-])C1(CNC(=O)[N-]C2=NC3=C(CCC3)S2)CCOC1	REAL300013572971	1	36	-2.0	-112.88	308.01	3.08	-109.80
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NC2=C(CCC2)S1	REAL300013572972	1	36	-2.0	-127.14	304.32	6.36	-120.78
CC(C)(CC1=CC=C(CNC(=O)[N-]C2=NC3=C(CCC3)S2)C=C1)C(=O)[O-]	REAL300013572973	1	47	-2.0	-97.43	393.26	8.24	-89.19
O=C([O-])C1CN(C(=O)[N-]C2=NC3=C(CCC3)S2)CC12CCC2	REAL300013572974	1	39	-2.0	-104.04	323.04	6.74	-97.30
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013572975	1	35	-2.0	-100.93	315.17	5.80	-95.13
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCC3)S2)CCO1	REAL300013572976	1	36	-2.0	-103.19	303.38	5.38	-97.81
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NC3=C(CCC3)S2)C1	REAL300013572977	1	39	-2.0	-108.97	330.31	5.52	-103.45
O=C([O-])CN1C(=O)NC2(CCN(C(=O)[N-]C3=NC4=C(CCC4)S3)CC2)C1=O	REAL300013572978	1	44	-2.0	-101.41	376.09	5.10	-96.31
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NC4=C(CCC4)S3)=CC=C21	REAL300013572979	0	39	-2.0	-107.33	348.23	7.96	-99.37
O=C([O-])CC1(NC(=O)[N-]C2=NC3=C(CCC3)S2)CCCCC1	REAL300013572980	1	41	-2.0	-124.04	325.02	6.92	-117.12
CCC(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300013573276	1	40	-2.0	-98.15	329.78	6.69	-91.46
CCC(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300013573277	0	40	-2.0	-94.98	346.47	6.55	-88.43
CCC(C)C1=CSC([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013573278	1	40	-2.0	-93.19	350.13	5.95	-87.24
CCC(C)C1=CSC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300013573279	1	42	-2.0	-93.03	338.91	4.76	-88.27
CCC(C)C1=CSC([N-]C(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300013573280	1	38	-2.0	-99.94	321.40	5.07	-94.87
CCC(C)C1=CSC([N-]C(=O)NC2CCC(C(=O)[O-])CC2)=N1	REAL300013573281	1	43	-2.0	-95.93	352.77	5.61	-90.32
CCC(C)C1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013573282	1	40	-2.0	-100.59	350.13	5.94	-94.65
CCC(C)C1=CSC([N-]C(=O)NCCCCCC(=O)[O-])=N1	REAL300013573283	1	42	-2.0	-93.07	355.36	5.39	-87.68
CCC(C)C1=CSC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300013573284	1	37	-2.0	-96.56	318.96	1.33	-95.23
CCC(C)C1=CSC([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013573285	1	50	-2.0	-100.43	401.15	9.96	-90.47
CCC(C)C1=CSC([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=N1	REAL300013573286	0	43	-2.0	-91.87	367.87	7.35	-84.52
CCC(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013573287	1	40	-2.0	-96.98	333.78	6.10	-90.88
CCC(C)C1=CSC([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013573288	1	43	-2.0	-104.57	345.44	7.48	-97.09
CCC(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013573289	1	43	-2.0	-98.55	341.72	6.88	-91.67
CCC(C)C1=CSC([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013573290	1	43	-2.0	-102.76	348.09	7.17	-95.59
CCC(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013573291	1	44	-2.0	-104.49	353.44	3.81	-100.68
CCC(C)C1=CSC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013573292	1	42	-2.0	-94.42	345.65	4.72	-89.70
CCC(C)C1=CSC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N1	REAL300013573293	1	45	-2.0	-107.29	353.25	5.68	-101.61
CCC(C)C1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013573294	1	40	-2.0	-111.02	332.31	5.26	-105.76
CCC(C)C1=CSC([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013573295	1	51	-2.0	-94.62	408.62	7.47	-87.15
CCC(C)C1=CSC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013573296	1	42	-2.0	-106.49	341.90	5.12	-101.37
CCC(C)C1=CSC([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013573297	1	49	-2.0	-101.88	384.74	6.38	-95.50
CCC(C)C1=CSC([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013573298	1	46	-2.0	-109.52	375.87	7.39	-102.13
CCC(C)C1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013573299	1	40	-2.0	-94.14	333.78	5.11	-89.03
CCC(C)C1=CSC([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013573300	1	46	-2.0	-95.44	369.09	8.08	-87.36
CCC(C)C1=CSC([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013573301	1	42	-2.0	-109.52	346.20	4.61	-104.91
CCC(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013573302	1	43	-2.0	-107.99	349.06	5.61	-102.38
CCC(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013573303	1	43	-2.0	-97.24	345.14	7.11	-90.13
CCC(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013573304	1	40	-2.0	-107.41	332.85	5.18	-102.23
CCC(C)C1=CSC([N-]C(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013573305	1	43	-2.0	-105.54	357.88	5.82	-99.72
CCC(C)C1=CSC([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013573306	1	43	-2.0	-98.55	341.72	6.88	-91.67
CCC(C)C1=CSC([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300013573307	1	48	-2.0	-97.08	384.28	6.43	-90.65
CCC(C)C1=CSC([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013573308	1	40	-2.0	-118.07	343.74	6.06	-112.01
CCC(C)C1=CSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)=N1	REAL300013573309	1	44	-2.0	-110.64	365.94	5.13	-105.51
CCC(C)C1=CSC([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013573311	1	50	-2.0	-122.49	406.98	8.07	-114.42
CCC(C)C1=CSC([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013573312	1	40	-2.0	-101.14	328.59	6.63	-94.51
CCC(C)C1=CSC([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013573313	1	40	-2.0	-101.46	329.75	6.66	-94.80
CCC(C)C1=CSC([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013573314	1	40	-2.0	-100.59	350.13	5.94	-94.65
CCC(C)C1=CSC([N-]C(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013573315	1	46	-2.0	-113.92	362.47	8.00	-105.92
CCC(C)C1=CSC([N-]C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013573316	1	48	-2.0	-92.23	398.36	6.96	-85.27
CCC(C)C1=CSC([N-]C(=O)NCCCCCCC(=O)[O-])=N1	REAL300013573317	1	45	-2.0	-93.40	376.86	6.17	-87.23
CCC(C)C1=CSC([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013573318	1	43	-2.0	-100.79	344.37	7.35	-93.44
CCC(C)C1=CSC([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)=N1	REAL300013573319	1	47	-2.0	-105.01	376.38	6.53	-98.48
CCC(C)C1=CSC([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013573320	1	46	-2.0	-99.23	369.40	8.08	-91.15
CCC(C)C1=CSC([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013573321	1	44	-2.0	-121.02	361.96	9.19	-111.83
CCC(C)C1=CSC([N-]C(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)=N1	REAL300013573322	1	51	-2.0	-94.52	416.66	6.24	-88.28
CCC(C)C1=CSC([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013573323	1	41	-2.0	-89.90	341.18	5.30	-84.60
CCC(C)C1=CSC([N-]C(=O)N2CC(C(=O)[O-])CCC2C)=N1	REAL300013573324	1	43	-2.0	-105.16	344.49	7.20	-97.96
CCC(C)C1=CSC([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013573325	1	47	-2.0	-118.88	391.20	9.04	-109.84
CCC(C)C1=CSC([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013573326	1	41	-2.0	-99.49	338.63	4.17	-95.32
CCC(C)C1=CSC([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013573327	1	44	-2.0	-96.56	368.33	6.93	-89.63
CCC(C)C1=CSC([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013573328	1	47	-2.0	-127.42	378.43	6.14	-121.28
CCC(C)C1=CSC([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013573329	0	37	-2.0	-99.91	326.84	6.56	-93.35
CCC(C)C1=CSC([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300013573330	1	47	-2.0	-101.21	372.70	6.81	-94.40
CCC(C)C1=CSC([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013573331	1	38	-2.0	-97.06	327.60	4.62	-92.44
CCC(C)C1=CSC([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013573332	1	49	-2.0	-109.66	373.77	6.60	-103.06
CCC(C)C1=CSC([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013573333	1	43	-2.0	-101.29	348.34	6.04	-95.25
CCC(C)C1=CSC([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013573334	1	46	-2.0	-93.27	371.21	6.32	-86.95
CCC(C)C1=CSC([N-]C(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013573335	1	43	-2.0	-96.03	346.78	7.31	-88.72
CCC(C)C1=CSC([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013573336	1	44	-2.0	-96.39	363.38	6.73	-89.66
CCC(C)C1=CSC([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013573337	1	43	-2.0	-96.02	352.79	5.61	-90.41
CCC(C)C1=CSC([N-]C(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013573338	1	43	-2.0	-96.06	352.76	5.61	-90.45
CCC(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013573339	1	44	-2.0	-108.16	354.70	4.19	-103.97
CCC(C)C1=CSC([N-]C(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013573340	1	41	-2.0	-105.09	339.52	3.16	-101.93
CCC(C)C1=CSC([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013573341	1	41	-2.0	-122.94	337.46	6.85	-116.09
CCC(C)C1=CSC([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013573342	1	52	-2.0	-90.78	425.35	8.32	-82.46
CCC(C)C1=CSC([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013573343	1	38	-2.0	-100.08	328.99	5.11	-94.97
CCC(C)C1=CSC([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013573344	1	44	-2.0	-101.24	357.73	7.27	-93.97
CCC(C)C1=CSC([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013573345	1	40	-2.0	-97.27	348.70	6.29	-90.98
CCC(C)C1=CSC([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013573346	1	41	-2.0	-99.49	336.90	5.86	-93.63
CCC(C)C1=CSC([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013573347	1	44	-2.0	-99.11	361.82	5.62	-93.49
CCC(C)C1=CSC([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013573348	0	44	-2.0	-98.64	379.73	8.04	-90.60
CCC(C)C1=CSC([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013573349	1	38	-2.0	-96.91	328.57	5.13	-91.78
CCC(C)C1=CSC([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013573350	1	46	-2.0	-115.11	356.53	7.01	-108.10
COCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013574088	0	34	-2.0	-103.73	303.02	3.20	-100.53
COCC1=NN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013574089	0	34	-2.0	-100.15	319.69	3.06	-97.09
COCC1=NN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013574090	0	34	-2.0	-97.78	323.35	2.45	-95.33
COCC1=NN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013574091	0	36	-2.0	-97.70	312.13	1.28	-96.42
COCC1=NN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013574092	0	32	-2.0	-107.62	294.63	1.57	-106.05
COCC1=NN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013574093	0	37	-2.0	-102.93	325.99	2.12	-100.81
COCC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013574094	0	34	-2.0	-105.80	323.36	2.44	-103.36
COCC1=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013574095	0	36	-2.0	-98.55	328.59	1.90	-96.65
COCC1=NN=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013574096	0	44	-2.0	-106.83	377.80	6.58	-100.25
COCC1=NN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013574097	0	37	-2.0	-97.04	341.09	3.87	-93.17
COCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013574098	0	34	-2.0	-103.86	307.00	2.62	-101.24
COCC1=NN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013574099	0	37	-2.0	-106.25	323.30	3.71	-102.54
COCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013574100	0	37	-2.0	-103.51	314.94	3.39	-100.12
COCC1=NN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013574101	0	37	-2.0	-111.05	321.31	3.67	-107.38
COCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013574102	0	38	-2.0	-109.84	324.06	0.53	-109.31
COCC1=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013574103	0	36	-2.0	-99.46	318.29	1.21	-98.25
CCC(CC)(CNC(=O)[N-]C1=NN=C(COC)S1)C(=O)[O-]	REAL300013574104	0	39	-2.0	-113.29	331.18	2.02	-111.27
COCC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013574105	0	34	-2.0	-116.74	305.54	1.78	-114.96
COCC1=NN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013574106	0	45	-2.0	-100.05	381.86	3.95	-96.10
COCC1=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013574107	0	36	-2.0	-112.49	321.38	1.49	-111.00
COCC1=NN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013574108	0	43	-2.0	-108.95	360.99	3.47	-105.48
COCC1=NN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013574109	0	40	-2.0	-115.78	354.47	3.66	-112.12
COCC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013574110	0	34	-2.0	-98.97	307.01	1.62	-97.35
COCC1=NN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013574111	0	40	-2.0	-100.64	342.33	4.59	-96.05
COCC1=NN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013574112	0	36	-2.0	-104.04	318.72	1.22	-102.82
COCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013574113	0	37	-2.0	-113.58	324.05	2.39	-111.19
COCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013574114	0	37	-2.0	-100.68	314.92	3.86	-96.82
COCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013574115	0	34	-2.0	-111.13	306.98	1.54	-109.59
COCC1=NN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013574116	0	37	-2.0	-112.79	331.10	2.33	-110.46
COCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013574117	0	37	-2.0	-103.51	314.94	3.39	-100.12
COCC1=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013574118	0	42	-2.0	-115.49	352.11	2.72	-112.77
COCC1=NN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013574119	0	34	-2.0	-124.53	316.96	2.56	-121.97
COCC1=NN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)S1	REAL300013574120	0	38	-2.0	-113.88	337.60	1.65	-112.23
COCC1=NN=C([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300013574121	0	39	-2.0	-97.60	339.09	-0.04	-97.64
COCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)S1	REAL300013574122	0	44	-2.0	-126.78	380.20	4.57	-122.21
COCC1=NN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013574123	0	34	-2.0	-109.28	302.51	3.14	-106.14
COCC1=NN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013574124	0	34	-2.0	-109.53	302.96	3.16	-106.37
COCC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013574125	0	34	-2.0	-105.80	323.36	2.44	-103.36
COCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)S1	REAL300013574126	0	44	-2.0	-106.24	385.86	4.45	-101.79
COCC1=NN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013574127	0	40	-2.0	-124.26	335.68	4.51	-119.75
COCC1=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013574128	0	42	-2.0	-97.84	371.59	3.46	-94.38
COCC1=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013574129	0	39	-2.0	-99.65	350.09	2.68	-96.97
COCC1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013574130	0	37	-2.0	-108.90	317.57	3.87	-105.03
COCC1=NN=C([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)S1	REAL300013574131	0	41	-2.0	-113.05	349.61	3.03	-110.02
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(COC)S1	REAL300013574132	0	37	-2.0	-108.80	337.02	2.36	-106.44
COCC1=NN=C([N-]C(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)S1	REAL300013574133	0	43	-2.0	-113.52	374.37	4.42	-109.10
COCC1=NN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013574134	0	40	-2.0	-107.04	342.66	4.57	-102.47
COCC1=NN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013574135	0	38	-2.0	-129.22	335.17	5.74	-123.48
COCC1=NN=C([N-]C(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)S1	REAL300013574136	0	45	-2.0	-101.20	389.88	2.74	-98.46
COCC1=NN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013574137	0	35	-2.0	-94.91	314.80	1.91	-93.00
COCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013574138	0	37	-2.0	-107.07	318.93	3.75	-103.32
COCC1=NN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013574139	0	41	-2.0	-122.70	364.42	5.55	-117.15
COCC1=NN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013574140	0	35	-2.0	-106.89	311.92	0.69	-106.20
COCC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013574141	0	38	-2.0	-102.88	346.03	3.66	-99.22
COCC1=NN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013574142	0	41	-2.0	-135.51	351.66	2.64	-132.87
COCC1=NN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013574143	0	31	-2.0	-107.04	300.06	3.06	-103.98
COCC1=NN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)S1	REAL300013574144	0	41	-2.0	-106.46	345.90	3.31	-103.15
COCC1=NN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013574145	0	43	-2.0	-117.33	346.85	3.13	-114.20
COCC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013574146	0	37	-2.0	-104.57	321.56	2.55	-102.02
COCC1=NN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013574147	0	40	-2.0	-98.81	345.74	2.85	-95.96
COCC1=NN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013574148	0	37	-2.0	-99.99	320.02	3.81	-96.18
COCC1=NN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013574149	0	38	-2.0	-101.80	336.62	3.23	-98.57
COCC1=NN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013574150	0	37	-2.0	-101.07	325.46	2.10	-98.97
COCC1=NN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013574151	0	37	-2.0	-100.88	321.56	2.54	-98.34
COCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013574152	0	38	-2.0	-113.02	327.93	0.70	-112.32
COCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013574153	0	35	-2.0	-108.92	312.74	-0.33	-109.25
COCC1=NN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013574154	0	35	-2.0	-103.78	306.80	3.27	-100.51
COCC1=NN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013574155	0	46	-2.0	-95.71	397.99	4.83	-90.88
COCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013574156	0	38	-2.0	-103.78	329.83	3.74	-100.04
COCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013574157	0	34	-2.0	-110.05	322.61	2.81	-107.24
COCC1=NN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013574158	0	35	-2.0	-107.25	310.16	2.37	-104.88
COCC1=NN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013574159	0	38	-2.0	-106.85	335.03	2.12	-104.73
COCC1=NN=C([N-]C(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)S1	REAL300013574160	0	43	-2.0	-100.29	380.82	1.69	-98.60
COCC1=NN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013574161	0	38	-2.0	-105.71	352.95	4.56	-101.15
COCC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013574162	0	40	-2.0	-121.14	329.75	3.53	-117.61
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576626	0	37	-2.0	-102.97	333.85	7.23	-95.74
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)=C1	REAL300013576627	0	37	-2.0	-99.37	350.52	7.07	-92.30
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C=C1	REAL300013576628	0	37	-2.0	-97.05	354.18	6.48	-90.57
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300013576629	0	39	-2.0	-96.98	342.96	5.30	-91.68
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CCO1	REAL300013576630	0	35	-2.0	-106.77	325.33	5.57	-101.20
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576631	0	40	-2.0	-101.87	356.82	6.14	-95.73
O=C([O-])CCCCNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300013576632	0	36	-2.0	-100.50	337.92	5.14	-95.36
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)=CC=C1	REAL300013576633	0	37	-2.0	-104.81	354.18	6.46	-98.35
O=C([O-])CCNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300013576634	0	30	-2.0	-104.92	294.92	3.56	-101.36
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300013576635	0	39	-2.0	-97.65	359.42	5.92	-91.73
CC(O)(CNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013576636	0	34	-2.0	-102.62	323.01	1.85	-100.77
CC(C)(CNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013576637	0	36	-2.0	-106.34	330.36	5.02	-101.32
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)=C1	REAL300013576638	0	40	-2.0	-96.22	371.91	7.88	-88.34
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576639	0	37	-2.0	-114.87	336.41	6.62	-108.25
CC(CN(C)C(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013576640	0	36	-2.0	-104.70	328.74	6.53	-98.17
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576641	0	40	-2.0	-106.19	354.13	7.73	-98.46
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576642	0	40	-2.0	-103.22	345.77	7.40	-95.82
O=C([O-])CCCNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300013576643	0	33	-2.0	-98.95	316.42	4.36	-94.59
CC1CCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1C(=O)[O-]	REAL300013576644	0	40	-2.0	-110.09	352.14	7.69	-102.40
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CCOCC1	REAL300013576645	0	41	-2.0	-108.77	357.50	4.34	-104.43
CC(C)(CCNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013576646	0	39	-2.0	-98.78	349.12	5.24	-93.54
CCC(CC)(CNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013576647	0	42	-2.0	-112.76	362.01	6.04	-106.72
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CCC1	REAL300013576648	0	37	-2.0	-115.86	336.37	5.80	-110.06
CC(CNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013576649	0	33	-2.0	-105.39	314.28	4.35	-101.04
CC(C)C(CNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013576650	0	39	-2.0	-110.75	345.95	5.65	-105.10
CC(NC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013576651	0	46	-2.0	-110.70	388.79	6.91	-103.79
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576652	0	37	-2.0	-98.39	337.84	5.64	-92.75
O=C([O-])CCC1CCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576653	0	43	-2.0	-99.70	373.15	8.61	-91.09
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NN=C(C3=CC=CC(F)=C3)S1)C2	REAL300013576654	0	39	-2.0	-116.15	350.24	5.14	-111.01
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CCCC1	REAL300013576655	0	40	-2.0	-113.11	354.88	6.41	-106.70
CC1CN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CCC1C(=O)[O-]	REAL300013576656	0	40	-2.0	-103.61	352.18	7.72	-95.89
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CCC1	REAL300013576657	0	37	-2.0	-110.82	337.80	5.57	-105.25
O=C([O-])CC(CNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C1CC1	REAL300013576658	0	40	-2.0	-112.15	361.93	6.35	-105.80
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576659	0	40	-2.0	-103.22	345.77	7.40	-95.82
CC(C)C[C@H](CNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)CC(=O)[O-]	REAL300013576660	0	45	-2.0	-115.23	382.93	6.74	-108.49
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576661	0	34	-2.0	-110.56	322.06	5.30	-105.26
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300013576662	0	37	-2.0	-123.54	347.79	6.58	-116.96
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576663	0	41	-2.0	-113.22	368.42	5.67	-107.55
O=C([O-])[C@H]1C[C@@H](NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576664	0	34	-2.0	-100.32	321.56	4.91	-95.41
O=C([O-])CN1CCC(NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576665	0	42	-2.0	-96.78	369.92	3.99	-92.79
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576666	0	37	-2.0	-108.42	333.33	7.16	-101.26
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576667	0	37	-2.0	-108.63	333.78	7.18	-101.45
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576668	0	34	-2.0	-100.26	321.88	4.92	-95.34
O=C([O-])[C@H]1C[C@H](NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576669	0	34	-2.0	-102.09	321.73	4.96	-97.13
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)=CC=C1	REAL300013576670	0	37	-2.0	-104.81	354.18	6.46	-98.35
CCC(CNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013576671	0	36	-2.0	-110.63	335.42	5.03	-105.60
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300013576672	0	43	-2.0	-123.02	366.51	8.53	-114.49
O=C([O-])CCCCCCCNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300013576673	0	45	-2.0	-96.85	402.41	7.48	-89.37
O=C([O-])CCCCCCNC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300013576674	0	42	-2.0	-98.53	380.91	6.70	-91.83
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576675	0	40	-2.0	-107.94	348.42	7.89	-100.05
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576676	0	44	-2.0	-110.75	379.50	7.70	-103.05
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576677	0	43	-2.0	-105.92	373.45	8.58	-97.34
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC2=CC=CC=C21	REAL300013576678	0	41	-2.0	-128.90	366.01	9.75	-119.15
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576679	0	38	-2.0	-93.88	345.24	5.84	-88.04
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300013576680	0	40	-2.0	-107.10	349.75	7.77	-99.33
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576681	0	38	-2.0	-106.15	342.75	4.70	-101.45
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C2=CC=CC=C21	REAL300013576682	0	41	-2.0	-100.74	372.38	7.44	-93.30
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)=C1	REAL300013576683	0	34	-2.0	-106.16	330.88	7.08	-99.08
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576684	0	44	-2.0	-105.73	376.73	7.32	-98.41
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(C4=CC=CC(F)=C4)S3)(C1)C2	REAL300013576685	0	35	-2.0	-103.71	331.63	5.15	-98.56
O=C([O-])CC1(CNC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CCCCC1	REAL300013576686	0	46	-2.0	-117.10	377.67	7.15	-109.95
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576687	0	40	-2.0	-105.94	352.38	6.57	-99.37
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576688	0	43	-2.0	-98.00	376.56	6.87	-91.13
O=C([O-])CC1CCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576689	0	40	-2.0	-99.48	350.84	7.83	-91.65
O=C([O-])COC1CCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576690	0	41	-2.0	-100.79	367.45	7.26	-93.53
O=C([O-])[C@@H]1CCC[C@H](NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576691	0	40	-2.0	-100.63	356.81	6.14	-94.49
O=C([O-])C1CCCC(NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576692	0	40	-2.0	-100.33	356.29	6.12	-94.21
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CCCOC1	REAL300013576693	0	41	-2.0	-112.55	358.75	4.72	-107.83
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CCOC1	REAL300013576694	0	38	-2.0	-108.90	343.56	3.69	-105.21
O=C([O-])C1CC2CCC1N2C(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300013576695	0	38	-2.0	-130.25	341.51	7.39	-122.86
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)[N-]C1=NN=C(C3=CC=CC(F)=C3)S1)C2	REAL300013576696	0	35	-2.0	-105.72	333.29	5.63	-100.09
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC1	REAL300013576697	0	34	-2.0	-110.56	322.06	5.30	-105.26
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CC12CCC2	REAL300013576698	0	41	-2.0	-103.51	360.65	7.76	-95.75
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CCO1	REAL300013576699	0	38	-2.0	-106.37	340.98	6.39	-99.98
COC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576700	0	41	-2.0	-105.95	365.86	6.14	-99.81
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)C1	REAL300013576701	0	34	-2.0	-104.43	318.30	6.05	-98.38
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)[N-]C1=NN=C(C3=CC=CC(F)=C3)S1)C2	REAL300013576702	0	35	-2.0	-105.09	332.30	5.66	-99.43
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(C3=CC=CC(F)=C3)S2)CCCCC1	REAL300013576703	0	43	-2.0	-120.21	360.58	7.53	-112.68
CC(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300013576704	0	36	-2.0	-101.38	336.18	5.36	-96.02
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])CC1)S2	REAL300013576791	1	44	-2.0	-101.08	371.90	7.70	-93.38
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC(=O)[O-])=C1)S2	REAL300013576792	0	44	-2.0	-97.58	388.58	7.54	-90.04
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC1=CC=C(C(=O)[O-])C=C1)S2	REAL300013576793	1	44	-2.0	-95.89	392.24	6.95	-88.94
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S2	REAL300013576794	1	46	-2.0	-95.62	381.02	5.77	-89.85
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCOC(C(=O)[O-])C1)S2	REAL300013576795	1	42	-2.0	-103.90	363.67	6.08	-97.82
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1CCC(C(=O)[O-])CC1)S2	REAL300013576796	1	47	-2.0	-98.67	394.88	6.62	-92.05
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCCCCC(=O)[O-])S2	REAL300013576797	1	43	-2.0	-97.78	375.98	5.62	-92.16
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)S2	REAL300013576798	1	44	-2.0	-103.43	392.25	6.94	-96.49
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCCC(=O)[O-])S2	REAL300013576799	1	37	-2.0	-101.22	332.98	4.04	-97.18
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCCCCCC(=O)[O-])S2	REAL300013576800	1	46	-2.0	-95.74	397.48	6.40	-89.34
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S2	REAL300013576801	1	41	-2.0	-99.33	361.49	2.39	-96.94
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S2	REAL300013576802	1	43	-2.0	-102.32	368.42	5.50	-96.82
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C)(C(=O)[O-])C1)S2	REAL300013576803	1	44	-2.0	-101.03	374.66	7.06	-93.97
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S2	REAL300013576804	1	43	-2.0	-100.72	365.94	6.98	-93.74
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC(C)CC(C(=O)[O-])C1)S2	REAL300013576805	1	47	-2.0	-107.19	387.59	8.48	-98.71
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)S2	REAL300013576806	1	47	-2.0	-100.87	383.89	7.86	-93.01
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCCCC(=O)[O-])S2	REAL300013576807	1	40	-2.0	-96.94	354.48	4.84	-92.10
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C)C(C(=O)[O-])C1)S2	REAL300013576808	1	47	-2.0	-106.86	390.37	8.17	-98.69
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCOCC1)S2	REAL300013576809	1	48	-2.0	-107.34	395.56	4.82	-102.52
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S2	REAL300013576810	1	46	-2.0	-97.06	387.76	5.72	-91.34
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC(CC)(CC)C(=O)[O-])S2	REAL300013576811	1	49	-2.0	-110.72	397.42	6.86	-103.86
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(CC(=O)[O-])CCC1)S2	REAL300013576812	1	44	-2.0	-115.67	374.57	6.27	-109.40
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC(C)C(=O)[O-])S2	REAL300013576813	1	40	-2.0	-101.66	351.53	4.80	-96.86
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S2	REAL300013576814	1	46	-2.0	-110.00	390.27	5.99	-104.01
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)S2	REAL300013576815	1	44	-2.0	-96.31	375.97	6.03	-90.28
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(CCC(=O)[O-])CC1)S2	REAL300013576816	1	50	-2.0	-98.15	411.21	9.09	-89.06
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)S2	REAL300013576817	1	46	-2.0	-114.19	388.52	5.63	-108.56
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCCC1)S2	REAL300013576818	1	47	-2.0	-110.81	391.17	6.61	-104.20
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])C(C)C1)S2	REAL300013576819	1	47	-2.0	-99.72	383.98	8.38	-91.34
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCC1)S2	REAL300013576820	1	44	-2.0	-109.98	375.87	6.05	-103.93
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC(CC(=O)[O-])C1CC1)S2	REAL300013576821	1	47	-2.0	-108.00	399.99	6.83	-101.17
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)S2	REAL300013576822	1	47	-2.0	-100.87	383.89	7.86	-93.01
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S2	REAL300013576823	1	52	-2.0	-111.20	420.99	7.22	-103.98
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CC1)S2	REAL300013576824	1	41	-2.0	-109.44	359.77	5.66	-103.78
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC1=CC=CC=C1C(=O)[O-])S2	REAL300013576825	1	44	-2.0	-121.23	385.85	7.06	-114.17
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(COC)(C(=O)[O-])C1)S2	REAL300013576826	1	48	-2.0	-110.09	406.64	6.16	-103.93
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)S2	REAL300013576827	1	41	-2.0	-98.41	359.63	5.40	-93.01
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC[C@@H](C(=O)[O-])C1)S2	REAL300013576829	1	44	-2.0	-103.99	370.73	7.61	-96.38
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC[C@H](C(=O)[O-])C1)S2	REAL300013576830	1	44	-2.0	-105.49	371.99	7.67	-97.82
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1CC(C(=O)[O-])C1)S2	REAL300013576831	1	41	-2.0	-99.71	359.71	5.41	-94.30
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)S2	REAL300013576832	1	41	-2.0	-99.02	359.62	5.46	-93.56
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC1=CC=CC(C(=O)[O-])=C1)S2	REAL300013576833	1	44	-2.0	-103.43	392.25	6.94	-96.49
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC(CC)C(=O)[O-])S2	REAL300013576834	1	43	-2.0	-108.74	373.48	5.50	-103.24
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCCC1CCC(=O)[O-])S2	REAL300013576835	1	50	-2.0	-117.44	404.72	9.01	-108.43
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCCCCCCCC(=O)[O-])S2	REAL300013576836	1	52	-2.0	-94.92	440.47	7.96	-86.96
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCCCCCCC(=O)[O-])S2	REAL300013576837	1	49	-2.0	-96.10	418.98	7.18	-88.92
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC(C)(C(=O)[O-])C1)S2	REAL300013576838	1	47	-2.0	-104.62	386.31	8.37	-96.25
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC(CCC(=O)[O-])C1)S2	REAL300013576839	1	50	-2.0	-103.14	411.69	9.08	-94.06
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCN(C(=O)C(=O)[O-])CC1)S2	REAL300013576840	1	45	-2.0	-92.92	383.69	6.41	-86.51
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC(C(=O)[O-])CCC1C)S2	REAL300013576841	1	47	-2.0	-109.37	386.74	8.21	-101.16
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC(O)(C(=O)[O-])C1)S2	REAL300013576842	1	45	-2.0	-103.39	380.95	5.20	-98.19
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1=CN(CC(=O)[O-])C=N1)S2	REAL300013576843	0	41	-2.0	-102.39	368.95	7.56	-94.83
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC13CC(C(=O)[O-])(C1)C3)S2	REAL300013576844	1	42	-2.0	-100.96	369.84	5.64	-95.32
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)S2	REAL300013576845	1	47	-2.0	-104.92	390.59	7.06	-97.86
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)S2	REAL300013576846	1	50	-2.0	-96.49	414.63	7.35	-89.14
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(CC(=O)[O-])CC1)S2	REAL300013576847	1	47	-2.0	-98.65	388.90	8.31	-90.34
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(OCC(=O)[O-])CC1)S2	REAL300013576848	1	48	-2.0	-99.17	405.50	7.73	-91.44
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)S2	REAL300013576849	1	47	-2.0	-100.03	395.02	6.62	-93.41
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1CCCC(C(=O)[O-])C1)S2	REAL300013576850	1	47	-2.0	-100.13	395.01	6.63	-93.50
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCCOC1)S2	REAL300013576851	1	48	-2.0	-111.05	396.82	5.21	-105.84
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CCOC1)S2	REAL300013576852	1	45	-2.0	-107.33	381.63	4.17	-103.16
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1C3CCC1C(C(=O)[O-])C3)S2	REAL300013576853	1	45	-2.0	-126.18	380.00	7.87	-118.31
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)S2	REAL300013576854	1	42	-2.0	-104.28	371.56	6.13	-98.15
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NCC1(C(=O)[O-])CC1)S2	REAL300013576855	1	41	-2.0	-109.44	359.77	5.66	-103.78
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC(C(=O)[O-])C3(CCC3)C1)S2	REAL300013576856	1	48	-2.0	-104.61	398.86	8.24	-96.37
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCOC(C)(C(=O)[O-])C1)S2	REAL300013576857	1	45	-2.0	-103.49	379.19	6.88	-96.61
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CC(OC)CC(C(=O)[O-])C1)S2	REAL300013576858	1	48	-2.0	-101.88	403.92	6.62	-95.26
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C(=O)[O-])C1)S2	REAL300013576859	1	41	-2.0	-101.87	356.84	6.54	-95.33
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N[C@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)S2	REAL300013576860	1	42	-2.0	-100.61	370.52	6.16	-94.45
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC1(CC(=O)[O-])CCCCC1)S2	REAL300013576861	1	50	-2.0	-119.79	398.79	8.02	-111.77
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)NC(C)CCC(=O)[O-])S2	REAL300013576862	1	43	-2.0	-99.91	374.24	5.84	-94.07
O=C([O-])C1CCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)CC1	REAL300013577085	0	37	-2.0	-103.43	322.46	6.46	-96.97
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NN=C(CC3CC3)S2)=C1	REAL300013577086	0	37	-2.0	-99.95	339.12	6.32	-93.63
O=C([O-])C1=CC=C(CNC(=O)[N-]C2=NN=C(CC3CC3)S2)C=C1	REAL300013577087	0	37	-2.0	-97.46	342.79	5.71	-91.75
CC(C)(CCC(=O)[O-])NC(=O)[N-]C1=NN=C(CC2CC2)S1	REAL300013577088	0	39	-2.0	-97.39	331.57	4.54	-92.85
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(CC3CC3)S2)CCO1	REAL300013577089	0	35	-2.0	-107.49	313.94	4.81	-102.68
O=C([O-])C1CCC(NC(=O)[N-]C2=NN=C(CC3CC3)S2)CC1	REAL300013577090	0	40	-2.0	-102.64	345.42	5.38	-97.26
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(CC3CC3)S2)=CC=C1	REAL300013577091	0	37	-2.0	-105.43	342.80	5.70	-99.73
O=C([O-])CCCCCNC(=O)[N-]C1=NN=C(CC2CC2)S1	REAL300013577092	0	39	-2.0	-98.26	348.03	5.16	-93.10
CC(O)(CNC(=O)[N-]C1=NN=C(CC2CC2)S1)C(=O)[O-]	REAL300013577093	0	34	-2.0	-103.31	311.62	1.09	-102.22
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)CC1	REAL300013577094	0	47	-2.0	-106.44	393.83	9.71	-96.73
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NN=C(CC3CC3)S2)=C1	REAL300013577095	0	40	-2.0	-96.56	360.23	7.17	-89.39
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)C1	REAL300013577096	0	37	-2.0	-103.81	326.44	5.88	-97.93
CC1CC(C(=O)[O-])CN(C(=O)[N-]C2=NN=C(CC3CC3)S2)C1	REAL300013577097	0	40	-2.0	-106.02	337.42	7.22	-98.80
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)CC1	REAL300013577098	0	40	-2.0	-103.43	334.38	6.65	-96.78
CC1CCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)CC1C(=O)[O-]	REAL300013577099	0	40	-2.0	-110.61	333.14	6.64	-103.97
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(CC3CC3)S2)CCOCC1	REAL300013577100	0	41	-2.0	-109.20	346.11	3.58	-105.62
CC(C)(CCNC(=O)[N-]C1=NN=C(CC2CC2)S1)C(=O)[O-]	REAL300013577101	0	39	-2.0	-99.29	338.31	4.48	-94.81
CCC(CC)(CNC(=O)[N-]C1=NN=C(CC2CC2)S1)C(=O)[O-]	REAL300013577102	0	42	-2.0	-112.44	347.97	5.61	-106.83
O=C([O-])CC1(NC(=O)[N-]C2=NN=C(CC3CC3)S2)CCC1	REAL300013577103	0	37	-2.0	-119.01	325.57	5.01	-114.00
O=C([O-])C1CC(=O)N(C2CCN(C(=O)[N-]C3=NN=C(CC4CC4)S3)CC2)C1	REAL300013577104	0	48	-2.0	-99.87	401.29	7.21	-92.66
CC(C)C(CNC(=O)[N-]C1=NN=C(CC2CC2)S1)C(=O)[O-]	REAL300013577105	0	39	-2.0	-112.31	340.81	4.75	-107.56
CC(NC(=O)[N-]C1=NN=C(CC2CC2)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013577106	0	46	-2.0	-108.51	377.40	6.15	-102.36
CC(CNC(=O)[N-]C1=NN=C(CC2CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300013577107	0	43	-2.0	-115.91	373.90	6.92	-108.99
O=C([O-])[C@@H]1CC[C@H](NC(=O)[N-]C2=NN=C(CC3CC3)S2)C1	REAL300013577108	0	37	-2.0	-98.80	326.45	4.88	-93.92
O=C([O-])CCC1CCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)CC1	REAL300013577109	0	43	-2.0	-100.25	361.77	7.85	-92.40
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)[N-]C1=NN=C(CC3CC3)S1)C2	REAL300013577110	0	39	-2.0	-116.80	338.85	4.38	-112.42
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(CC3CC3)S2)CCCC1	REAL300013577111	0	40	-2.0	-112.63	341.72	5.38	-107.25
CC1CN(C(=O)[N-]C2=NN=C(CC3CC3)S2)CCC1C(=O)[O-]	REAL300013577112	0	40	-2.0	-100.63	334.35	7.11	-93.52
O=C([O-])C1(CNC(=O)[N-]C2=NN=C(CC3CC3)S2)CCC1	REAL300013577113	0	37	-2.0	-111.23	326.41	4.80	-106.43
O=C([O-])CC(CNC(=O)[N-]C1=NN=C(CC2CC2)S1)C1CC1	REAL300013577114	0	40	-2.0	-98.55	343.17	6.17	-92.38
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)CC1	REAL300013577115	0	40	-2.0	-103.43	334.38	6.65	-96.78
CC(C)C[C@H](CNC(=O)[N-]C1=NN=C(CC2CC2)S1)CC(=O)[O-]	REAL300013577116	0	45	-2.0	-115.83	371.54	5.98	-109.85
O=C([O-])C1=CC=CC=C1CNC(=O)[N-]C1=NN=C(CC2CC2)S1	REAL300013577117	0	37	-2.0	-124.62	336.40	5.82	-118.80
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)C1	REAL300013577118	0	41	-2.0	-113.91	357.03	4.91	-109.00
O=C([O-])CN1CCC(NC(=O)[N-]C2=NN=C(CC3CC3)S2)CC1	REAL300013577119	0	42	-2.0	-97.36	358.53	3.22	-94.14
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)[N-]C3=NN=C(CC4CC4)S3)C2)C=N1	REAL300013577120	0	47	-2.0	-126.89	399.64	7.83	-119.06
O=C([O-])[C@@H]1CCCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)C1	REAL300013577121	0	37	-2.0	-109.24	321.94	6.40	-102.84
O=C([O-])[C@H]1CCCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)C1	REAL300013577122	0	37	-2.0	-109.47	322.39	6.42	-103.05
O=C([O-])C1=CC(CNC(=O)[N-]C2=NN=C(CC3CC3)S2)=CC=C1	REAL300013577123	0	37	-2.0	-105.43	342.80	5.70	-99.73
COC(=O)C1CC2(C1)CN(C(=O)[N-]C1=NN=C(CC3CC3)S1)CC2C(=O)[O-]	REAL300013577124	0	47	-2.0	-106.22	405.30	7.71	-98.51
O=C([O-])CCC1CCCCN1C(=O)[N-]C1=NN=C(CC2CC2)S1	REAL300013577125	0	43	-2.0	-124.24	355.12	7.77	-116.47
O=C([O-])CCCCCCCNC(=O)[N-]C1=NN=C(CC2CC2)S1	REAL300013577126	0	45	-2.0	-97.51	391.02	6.72	-90.79
O=C([O-])CCCCCCNC(=O)[N-]C1=NN=C(CC2CC2)S1	REAL300013577127	0	42	-2.0	-99.27	369.52	5.94	-93.33
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)C1	REAL300013577128	0	40	-2.0	-108.78	337.03	7.12	-101.66
COCC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)C1	REAL300013577129	0	44	-2.0	-113.06	369.03	6.29	-106.77
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NN=C(CC2CC2)S1	REAL300013577130	0	40	-2.0	-108.88	356.46	5.62	-103.26
O=C([O-])CCC1CCCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)C1	REAL300013577131	0	43	-2.0	-106.83	362.06	7.82	-99.01
O=C([O-])C1CN(C(=O)[N-]C2=NN=C(CC3CC3)S2)CC2=CC=CC=C21	REAL300013577132	0	41	-2.0	-129.71	354.62	9.00	-120.71
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)[N-]C2=NN=C(CC3CC3)S2)CCO1	REAL300013577133	0	48	-2.0	-101.00	409.36	6.01	-94.99
O=C([O-])C(=O)N1CCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)CC1	REAL300013577134	0	38	-2.0	-94.28	333.85	5.07	-89.21
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NN=C(CC2CC2)S1	REAL300013577135	0	40	-2.0	-107.12	338.36	7.01	-100.11
O=C([O-])[C@@H]1CN(C(=O)[N-]C2=NN=C(CC3CC3)S2)C[C@H]1C1=CC=CC=C1	REAL300013577136	0	44	-2.0	-108.34	384.20	8.82	-99.52
O=C([O-])C1(O)CCCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)C1	REAL300013577137	0	38	-2.0	-106.89	331.36	3.95	-102.94
O=C([O-])C1CC(NC(=O)[N-]C2=NN=C(CC3CC3)S2)C2=CC=CC=C21	REAL300013577138	0	41	-2.0	-101.32	360.99	6.69	-94.63
O=C([O-])CN1CCCCC(NC(=O)[N-]C2=NN=C(CC3CC3)S2)C1=O	REAL300013577139	0	44	-2.0	-135.97	371.09	5.91	-130.06
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C(CC3CC3)S2)=C1	REAL300013577140	0	34	-2.0	-107.10	319.49	6.32	-100.78
COCC1(C(=O)[O-])CCN(C(=O)[N-]C2=NN=C(CC3CC3)S2)CC1	REAL300013577141	0	44	-2.0	-106.17	365.34	6.56	-99.61
O=C([O-])C12CC(NC(=O)[N-]C3=NN=C(CC4CC4)S3)(C1)C2	REAL300013577142	0	35	-2.0	-104.44	320.24	4.39	-100.05
O=C([O-])CC1(CNC(=O)[N-]C2=NN=C(CC3CC3)S2)CCCCC1	REAL300013577143	0	46	-2.0	-117.63	366.28	6.39	-111.24
O=C([O-])[C@H]1CC[C@@H](NC(=O)[N-]C2=NN=C(CC3CC3)S2)CC1	REAL300013577144	0	40	-2.0	-105.25	341.00	5.80	-99.45
O=C([O-])[C@H]1CC[C@H](CNC(=O)[N-]C2=NN=C(CC3CC3)S2)CC1	REAL300013577145	0	43	-2.0	-98.47	365.17	6.11	-92.36
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CN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C#N)=C2)S1	REAL300013577547	1	38	-2.0	-110.03	357.43	8.61	-101.42
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N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCCC3)S2)=C1	REAL300013577569	1	45	-2.0	-114.99	397.63	8.78	-106.21
CC1CN(C(=O)[N-]C2=NC=C(CC3=CC=CC(C#N)=C3)S2)CCC1C(=O)[O-]	REAL300013577570	1	45	-2.0	-104.79	394.94	10.10	-94.69
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCC3)S2)=C1	REAL300013577571	1	42	-2.0	-113.17	379.65	8.08	-105.09
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC(CC(=O)[O-])C3CC3)S2)=C1	REAL300013577572	1	45	-2.0	-114.22	404.67	8.72	-105.50
CC1(C(=O)[O-])CCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(C#N)=C3)S2)CC1	REAL300013577573	1	45	-2.0	-104.28	388.50	9.79	-94.49
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)=C1	REAL300013577574	1	39	-2.0	-112.30	364.82	7.67	-104.63
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3=CC=CC=C3C(=O)[O-])S2)=C1	REAL300013577575	1	42	-2.0	-125.45	390.54	8.96	-116.49
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)S2)=C1	REAL300013577576	1	39	-2.0	-101.75	364.25	7.29	-94.46
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@@H](C(=O)[O-])C3)S2)=C1	REAL300013577578	1	42	-2.0	-108.77	376.08	9.54	-99.23
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC[C@H](C(=O)[O-])C3)S2)=C1	REAL300013577579	1	42	-2.0	-108.90	376.54	9.57	-99.33
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3CC(C(=O)[O-])C3)S2)=C1	REAL300013577580	1	39	-2.0	-101.87	364.64	7.29	-94.58
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)=C1	REAL300013577581	1	39	-2.0	-101.51	364.18	7.34	-94.17
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3=CC=CC(C(=O)[O-])=C3)S2)=C1	REAL300013577582	1	42	-2.0	-106.32	396.94	8.84	-97.48
CCC(CNC(=O)[N-]C1=NC=C(CC2=CC=CC(C#N)=C2)S1)C(=O)[O-]	REAL300013577583	1	41	-2.0	-112.37	378.16	7.40	-104.97
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCCC3CCC(=O)[O-])S2)=C1	REAL300013577584	1	48	-2.0	-123.97	409.26	10.91	-113.06
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NCCCCCCC(=O)[O-])S2)=C1	REAL300013577585	1	47	-2.0	-100.06	423.67	9.08	-90.98
CN(CCCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C#N)=C2)S1	REAL300013577586	1	41	-2.0	-110.47	378.93	9.41	-101.06
CC1(C(=O)[O-])CCCN(C(=O)[N-]C2=NC=C(CC3=CC=CC(C#N)=C3)S2)C1	REAL300013577587	1	45	-2.0	-109.91	391.20	10.26	-99.65
COCCN(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(C#N)=C2)S1	REAL300013577588	1	45	-2.0	-109.08	410.61	8.76	-100.32
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC(CCC(=O)[O-])C3)S2)=C1	REAL300013577589	1	48	-2.0	-107.56	416.20	10.98	-96.58
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCN(C(=O)C(=O)[O-])CC3)S2)=C1	REAL300013577590	1	43	-2.0	-95.01	388.00	8.21	-86.80
CC1CCC(C(=O)[O-])CN1C(=O)[N-]C1=NC=C(CC2=CC=CC(C#N)=C2)S1	REAL300013577591	1	45	-2.0	-107.31	391.29	10.10	-97.21
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCCC(O)(C(=O)[O-])C3)S2)=C1	REAL300013577592	1	43	-2.0	-107.90	385.50	7.09	-100.81
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3=CN(CC(=O)[O-])C=N3)S2)=C1	REAL300013577593	0	39	-2.0	-107.96	373.64	9.46	-98.50
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NC34CC(C(=O)[O-])(C3)C4)S2)=C1	REAL300013577594	1	40	-2.0	-105.42	374.38	7.52	-97.90
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)S2)=C1	REAL300013577595	1	45	-2.0	-105.87	393.81	8.90	-96.97
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NC[C@@H]3CC[C@@H](C(=O)[O-])CC3)S2)=C1	REAL300013577596	1	48	-2.0	-98.70	418.00	9.22	-89.48
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(CC(=O)[O-])CC3)S2)=C1	REAL300013577597	1	45	-2.0	-100.32	393.59	10.21	-90.11
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)S2)=C1	REAL300013577598	1	45	-2.0	-101.96	399.57	8.51	-93.45
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3CCCC(C(=O)[O-])C3)S2)=C1	REAL300013577599	1	45	-2.0	-101.59	395.14	8.93	-92.66
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CCOC3)S2)=C1	REAL300013577600	1	43	-2.0	-110.48	386.31	6.07	-104.41
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N3C4CCC3C(C(=O)[O-])C4)S2)=C1	REAL300013577601	1	43	-2.0	-131.30	384.26	9.76	-121.54
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)=C1	REAL300013577602	1	40	-2.0	-105.39	376.04	8.01	-97.38
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NCC3(C(=O)[O-])CC3)S2)=C1	REAL300013577603	1	39	-2.0	-112.30	364.82	7.67	-104.63
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CC(C(=O)[O-])C4(CCC4)C3)S2)=C1	REAL300013577604	1	46	-2.0	-104.96	403.40	10.13	-94.83
CC1(C(=O)[O-])CN(C(=O)[N-]C2=NC=C(CC3=CC=CC(C#N)=C3)S2)CCO1	REAL300013577605	1	43	-2.0	-108.30	383.75	8.77	-99.53
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N3CCC(C(=O)[O-])C3)S2)=C1	REAL300013577606	1	39	-2.0	-105.97	361.43	8.43	-97.54
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)=C1	REAL300013577607	1	40	-2.0	-103.05	375.06	8.04	-95.01
N#CC1=CC=CC(CC2=CN=C([N-]C(=O)NC3(CC(=O)[O-])CCCCC3)S2)=C1	REAL300013577608	1	48	-2.0	-121.08	403.33	9.92	-111.16
CC(CCC(=O)[O-])NC(=O)[N-]C1=NC=C(CC2=CC=CC(C#N)=C2)S1	REAL300013577609	1	41	-2.0	-102.67	378.91	7.73	-94.94
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])CC1)=N2	REAL300013579555	1	46	-2.0	-98.92	384.28	6.42	-92.50
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C)(C)CCC(=O)[O-])=N2	REAL300013579556	1	48	-2.0	-93.53	393.42	4.48	-89.05
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCOC(C(=O)[O-])C1)=N2	REAL300013579557	1	44	-2.0	-100.23	375.89	4.79	-95.44
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)CCC(=O)[O-])=N2	REAL300013579558	1	42	-2.0	-101.26	365.13	5.42	-95.84
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1CCC(C(=O)[O-])CC1)=N2	REAL300013579559	1	49	-2.0	-96.34	407.24	5.33	-91.01
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCCCCC(=O)[O-])=N2	REAL300013579560	1	45	-2.0	-95.50	388.38	4.33	-91.17
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCCC(=O)[O-])=N2	REAL300013579561	1	39	-2.0	-98.82	345.38	2.76	-96.06
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCCCCCC(=O)[O-])=N2	REAL300013579562	1	48	-2.0	-93.62	409.88	5.11	-88.51
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC(C)(O)C(=O)[O-])=N2	REAL300013579563	1	43	-2.0	-96.96	373.48	1.07	-95.89
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC(C)(C)C(=O)[O-])=N2	REAL300013579564	1	45	-2.0	-99.67	380.24	4.22	-95.45
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])C1)=N2	REAL300013579565	1	46	-2.0	-97.26	386.88	5.76	-91.50
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)CC(C)C(=O)[O-])=N2	REAL300013579566	1	45	-2.0	-98.16	378.30	5.70	-92.46
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CC(C)CC(C(=O)[O-])C1)=N2	REAL300013579567	1	49	-2.0	-104.88	404.60	6.94	-97.94
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)=N2	REAL300013579568	1	49	-2.0	-99.00	396.97	6.65	-92.35
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCCCC(=O)[O-])=N2	REAL300013579569	1	42	-2.0	-94.80	366.88	3.55	-91.25
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)C(C(=O)[O-])C1)=N2	REAL300013579570	1	49	-2.0	-102.93	402.59	6.87	-96.06
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCCC(C)(C)C(=O)[O-])=N2	REAL300013579571	1	48	-2.0	-94.98	399.58	4.43	-90.55
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC(CC)(CC)C(=O)[O-])=N2	REAL300013579572	1	51	-2.0	-108.35	409.82	5.56	-102.79
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1(CC(=O)[O-])CCC1)=N2	REAL300013579573	1	46	-2.0	-111.25	386.83	4.98	-106.27
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC(C)C(=O)[O-])=N2	REAL300013579574	1	42	-2.0	-99.24	364.74	3.54	-95.70
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC(C(=O)[O-])C(C)C)=N2	REAL300013579575	1	48	-2.0	-107.53	402.67	4.71	-102.82
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)=N2	REAL300013579576	1	46	-2.0	-94.14	388.26	4.75	-89.39
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCCC1)=N2	REAL300013579577	1	49	-2.0	-109.33	405.35	5.60	-103.73
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])C(C)C1)=N2	REAL300013579578	1	49	-2.0	-96.28	396.19	7.08	-89.20
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCC1)=N2	REAL300013579579	1	46	-2.0	-107.67	388.23	4.75	-102.92
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC(CC(=O)[O-])C1CC1)=N2	REAL300013579580	1	49	-2.0	-105.34	412.35	5.54	-99.80
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C)(C(=O)[O-])CC1)=N2	REAL300013579581	1	49	-2.0	-99.00	396.97	6.65	-92.35
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CC1)=N2	REAL300013579582	1	43	-2.0	-107.16	372.13	4.37	-102.79
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)=N2	REAL300013579583	1	43	-2.0	-96.28	372.29	4.11	-92.17
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300013579584	1	46	-2.0	-101.30	383.11	6.35	-94.95
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC[C@H](C(=O)[O-])C1)=N2	REAL300013579585	1	46	-2.0	-101.69	384.22	6.37	-95.32
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1CC(C(=O)[O-])C1)=N2	REAL300013579586	1	43	-2.0	-95.50	371.79	4.16	-91.34
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)=N2	REAL300013579587	1	43	-2.0	-95.48	371.84	4.16	-91.32
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC(CC)C(=O)[O-])=N2	REAL300013579588	1	45	-2.0	-105.04	380.87	4.32	-100.72
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCCCCCCC(=O)[O-])=N2	REAL300013579589	1	51	-2.0	-93.97	431.38	5.90	-88.07
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N(C)CCCC(=O)[O-])=N2	REAL300013579590	1	45	-2.0	-102.93	386.59	6.22	-96.71
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCC(C)(C(=O)[O-])C1)=N2	REAL300013579591	1	49	-2.0	-100.96	398.85	7.08	-93.88
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CC(C(=O)[O-])CCC1C)=N2	REAL300013579592	1	49	-2.0	-105.50	398.98	6.89	-98.61
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCC(O)(C(=O)[O-])C1)=N2	REAL300013579593	1	47	-2.0	-99.66	393.18	3.90	-95.76
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1=CN(CC(=O)[O-])C=N1)=N2	REAL300013579594	0	43	-2.0	-99.88	381.31	6.26	-93.62
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC13CC(C(=O)[O-])(C1)C3)=N2	REAL300013579595	1	44	-2.0	-97.34	382.10	4.34	-93.00
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)=N2	REAL300013579596	1	49	-2.0	-101.35	402.80	5.76	-95.59
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(CC(=O)[O-])CC1)=N2	REAL300013579597	1	49	-2.0	-96.58	401.27	7.03	-89.55
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300013579598	1	49	-2.0	-96.18	406.72	5.31	-90.87
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC1CCCC(C(=O)[O-])C1)=N2	REAL300013579599	1	49	-2.0	-96.56	407.23	5.32	-91.24
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CCOC1)=N2	REAL300013579600	1	47	-2.0	-105.15	394.00	2.88	-102.27
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1C3CCC1C(C(=O)[O-])C3)=N2	REAL300013579601	1	47	-2.0	-122.84	392.36	6.58	-116.26
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300013579602	1	44	-2.0	-100.78	383.79	4.82	-95.96
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NCC1(C(=O)[O-])CC1)=N2	REAL300013579603	1	43	-2.0	-107.16	372.13	4.37	-102.79
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCOC(C)(C(=O)[O-])C1)=N2	REAL300013579604	1	47	-2.0	-99.86	391.41	5.59	-94.27
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C(=O)[O-])C1)=N2	REAL300013579605	1	43	-2.0	-98.14	369.06	5.23	-92.91
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N[C@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300013579606	1	44	-2.0	-97.06	382.71	4.84	-92.22
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)NC(C)CCC(=O)[O-])=N2	REAL300013579607	1	45	-2.0	-97.72	386.64	4.55	-93.17
O=C([O-])CC1=CC=CC(NC(=O)[N-]C2=NN=C3C=CC(Cl)=CN32)=C1	REAL300013583764	1	34	-2.0	-103.36	322.96	9.37	-93.99
O=C([O-])CCC1=CC=CC(NC(=O)[N-]C2=NN=C3C=CC(Cl)=CN32)=C1	REAL300013583775	1	37	-2.0	-100.19	344.36	10.18	-90.01
O=C([O-])CN1C=NC(NC(=O)[N-]C2=NN=C3C=CC(Cl)=CN32)=C1	REAL300013583821	1	31	-2.0	-110.70	303.33	9.37	-101.33
O=C([O-])CN1C=CC2=CC(NC(=O)[N-]C3=NN=C4C=CC(Cl)=CN43)=CC=C21	REAL300013583840	1	38	-2.0	-109.26	356.23	10.87	-98.39
COCCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300013583931	0	37	-2.0	-101.07	324.52	3.98	-97.09
COCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC(=O)[O-])=C2)S1	REAL300013583932	0	37	-2.0	-97.83	341.19	3.84	-93.99
COCCC1=NN=C([N-]C(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300013583933	0	37	-2.0	-95.48	344.85	3.23	-92.25
COCCC1=NN=C([N-]C(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300013583934	0	39	-2.0	-95.33	333.63	2.05	-93.28
COCCC1=NN=C([N-]C(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300013583935	0	35	-2.0	-105.35	316.10	2.34	-103.01
COCCC1=NN=C([N-]C(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300013583936	0	40	-2.0	-100.60	347.48	2.89	-97.71
COCCC1=NN=C([N-]C(=O)NCCCCC(=O)[O-])S1	REAL300013583937	0	36	-2.0	-99.18	328.59	1.90	-97.28
COCCC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013583938	0	37	-2.0	-103.14	344.86	3.22	-99.92
COCCC1=NN=C([N-]C(=O)NCCCCCC(=O)[O-])S1	REAL300013583939	0	39	-2.0	-96.27	350.09	2.68	-93.59
COCCC1=NN=C([N-]C(=O)NCC(C)(O)C(=O)[O-])S1	REAL300013583940	0	34	-2.0	-100.94	314.10	-1.34	-102.28
COCCC1=NN=C([N-]C(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300013583941	0	47	-2.0	-104.64	399.30	7.36	-97.28
COCCC1=NN=C([N-]C(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013583942	0	36	-2.0	-104.82	321.03	1.78	-103.04
COCCC1=NN=C([N-]C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)S1	REAL300013583943	0	40	-2.0	-94.84	362.59	4.64	-90.20
COCCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300013583944	0	37	-2.0	-113.22	327.07	3.37	-109.85
COCCC1=NN=C([N-]C(=O)N(C)CC(C)C(=O)[O-])S1	REAL300013583945	0	36	-2.0	-109.29	319.66	3.52	-105.77
COCCC1=NN=C([N-]C(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300013583946	0	40	-2.0	-103.63	344.81	4.50	-99.13
COCCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013583947	0	40	-2.0	-101.43	336.44	4.16	-97.27
COCCC1=NN=C([N-]C(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300013583948	0	40	-2.0	-108.34	335.20	4.16	-104.18
COCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013583949	0	41	-2.0	-108.33	347.18	1.26	-107.07
COCCC1=NN=C([N-]C(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013583950	0	39	-2.0	-97.16	340.38	2.00	-95.16
CCC(CC)(CNC(=O)[N-]C1=NN=C(CCOC)S1)C(=O)[O-]	REAL300013583951	0	42	-2.0	-109.49	347.98	2.96	-106.53
COCCC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300013583952	0	37	-2.0	-113.51	327.04	2.55	-110.96
COCCC1=NN=C([N-]C(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)S1	REAL300013583953	0	48	-2.0	-97.97	403.36	4.74	-93.23
COCCC1=NN=C([N-]C(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013583954	0	39	-2.0	-109.74	342.88	2.26	-107.48
COCCC1=NN=C([N-]C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300013583955	0	46	-2.0	-106.05	382.51	4.25	-101.80
COCCC1=NN=C([N-]C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300013583956	0	43	-2.0	-113.14	375.97	4.44	-108.70
COCCC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013583957	0	37	-2.0	-96.67	328.51	2.40	-94.27
COCCC1=NN=C([N-]C(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300013583958	0	43	-2.0	-98.06	363.83	5.37	-92.69
COCCC1=NN=C([N-]C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300013583959	0	39	-2.0	-101.66	340.22	2.00	-99.66
COCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013583960	0	40	-2.0	-110.88	345.55	3.17	-107.71
COCCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300013583961	0	40	-2.0	-98.63	336.41	4.63	-94.00
COCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300013583962	0	37	-2.0	-109.08	327.57	2.47	-106.61
COCCC1=NN=C([N-]C(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300013583963	0	40	-2.0	-110.69	352.60	3.11	-107.58
COCCC1=NN=C([N-]C(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300013583964	0	40	-2.0	-101.43	336.44	4.16	-97.27
COCCC1=NN=C([N-]C(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300013583965	0	45	-2.0	-99.10	379.00	3.72	-95.38
COCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013583966	0	34	-2.0	-108.25	312.73	2.05	-106.20
COCCC1=NN=C([N-]C(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013583967	0	37	-2.0	-121.40	338.46	3.34	-118.06
COCCC1=NN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])C2)S1	REAL300013583968	0	41	-2.0	-114.58	360.65	2.42	-112.16
COCCC1=NN=C([N-]C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300013583969	0	34	-2.0	-98.42	312.52	1.67	-96.75
COCCC1=NN=C([N-]C(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300013583970	0	42	-2.0	-95.34	360.59	0.74	-94.60
COCCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)S1	REAL300013583971	0	47	-2.0	-123.29	401.70	5.35	-117.94
COCCC1=NN=C([N-]C(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013583972	0	37	-2.0	-107.00	324.01	3.92	-103.08
COCCC1=NN=C([N-]C(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300013583973	0	37	-2.0	-107.14	324.46	3.94	-103.20
COCCC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C2)S1	REAL300013583974	0	34	-2.0	-98.60	312.55	1.67	-96.93
COCCC1=NN=C([N-]C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300013583975	0	34	-2.0	-98.13	312.03	1.72	-96.41
COCCC1=NN=C([N-]C(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300013583976	0	37	-2.0	-103.14	344.86	3.22	-99.92
COCCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)S1	REAL300013583977	0	47	-2.0	-105.34	407.17	5.24	-100.10
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COCCC1=NN=C([N-]C(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300013583979	0	43	-2.0	-121.71	357.18	5.28	-116.43
COCCC1=NN=C([N-]C(=O)NCCCCCCCC(=O)[O-])S1	REAL300013583980	0	45	-2.0	-95.59	393.08	4.24	-91.35
COCCC1=NN=C([N-]C(=O)NCCCCCCC(=O)[O-])S1	REAL300013583981	0	42	-2.0	-97.31	371.59	3.46	-93.85
COCCC1=NN=C([N-]C(=O)N(C)CCCC(=O)[O-])S1	REAL300013583982	0	36	-2.0	-107.88	326.83	3.78	-104.10
COCCC1=NN=C([N-]C(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300013583983	0	40	-2.0	-106.53	339.06	4.64	-101.89
COCCC1=NN=C([N-]C(=O)N2CCCC(COC)(C(=O)[O-])C2)S1	REAL300013583984	0	44	-2.0	-110.79	371.09	3.81	-106.98
COCCC1=NN=C([N-]C(=O)N(CCOC)CCC(=O)[O-])S1	REAL300013583985	0	40	-2.0	-106.09	358.51	3.14	-102.95
COCCC1=NN=C([N-]C(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300013583986	0	43	-2.0	-104.67	364.11	5.34	-99.33
COCCC1=NN=C([N-]C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300013583987	0	41	-2.0	-127.16	356.67	6.52	-120.64
COCCC1=NN=C([N-]C(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300013583988	0	38	-2.0	-92.47	336.30	2.69	-89.78
COCCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300013583989	0	40	-2.0	-104.26	339.21	4.47	-99.79
COCCC1=NN=C([N-]C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300013583990	0	44	-2.0	-105.83	386.26	6.34	-99.49
COCCC1=NN=C([N-]C(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300013583991	0	38	-2.0	-104.68	333.42	1.46	-103.22
COCCC1=NN=C([N-]C(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300013583992	0	41	-2.0	-100.57	367.53	4.44	-96.13
COCCC1=NN=C([N-]C(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300013583993	0	44	-2.0	-133.73	373.15	3.42	-130.31
COCCC1=NN=C([N-]C(=O)NC2=CN(CC(=O)[O-])C=N2)S1	REAL300013583994	0	34	-2.0	-104.92	321.55	3.84	-101.08
COCCC1=NN=C([N-]C(=O)N2CCC(COC)(C(=O)[O-])CC2)S1	REAL300013583995	0	44	-2.0	-103.87	367.40	4.08	-99.79
COCCC1=NN=C([N-]C(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300013583996	0	35	-2.0	-102.31	322.30	1.90	-100.41
COCCC1=NN=C([N-]C(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300013583997	0	46	-2.0	-116.71	368.50	3.87	-112.84
COCCC1=NN=C([N-]C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300013583998	0	40	-2.0	-102.39	343.05	3.33	-99.06
COCCC1=NN=C([N-]C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300013583999	0	43	-2.0	-96.51	367.23	3.63	-92.88
COCCC1=NN=C([N-]C(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300013584000	0	40	-2.0	-97.55	341.51	4.59	-92.96
COCCC1=NN=C([N-]C(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300013584001	0	41	-2.0	-99.19	358.12	4.01	-95.18
COCCC1=NN=C([N-]C(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300013584002	0	40	-2.0	-98.92	347.50	2.89	-96.03
COCCC1=NN=C([N-]C(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013584003	0	40	-2.0	-98.28	342.52	3.30	-94.98
COCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300013584004	0	41	-2.0	-110.40	349.43	1.47	-108.93
COCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013584005	0	38	-2.0	-106.80	334.24	0.45	-106.35
COCCC1=NN=C([N-]C(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300013584006	0	38	-2.0	-101.43	328.30	4.04	-97.39
COCCC1=NN=C([N-]C(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)S1	REAL300013584007	0	49	-2.0	-93.48	420.07	5.61	-87.87
COCCC1=NN=C([N-]C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013584008	0	35	-2.0	-102.15	324.01	2.39	-99.76
COCCC1=NN=C([N-]C(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013584009	0	34	-2.0	-108.25	312.73	2.05	-106.20
COCCC1=NN=C([N-]C(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300013584010	0	41	-2.0	-101.35	351.27	4.52	-96.83
COCCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300013584011	0	37	-2.0	-107.21	344.11	3.58	-103.63
COCCC1=NN=C([N-]C(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013584012	0	38	-2.0	-104.91	331.66	3.14	-101.77
COCCC1=NN=C([N-]C(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300013584013	0	41	-2.0	-104.54	356.53	2.89	-101.65
COCCC1=NN=C([N-]C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])S1	REAL300013584014	0	41	-2.0	-103.54	374.45	5.34	-98.20
COCCC1=NN=C([N-]C(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013584015	0	34	-2.0	-102.91	309.00	2.79	-100.12
COCCC1=NN=C([N-]C(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013584016	0	35	-2.0	-100.84	322.97	2.42	-98.42
COCCC1=NN=C([N-]C(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300013584017	0	43	-2.0	-117.84	351.25	4.29	-113.55
COCCC1=NN=C([N-]C(=O)NC(C)CCC(=O)[O-])S1	REAL300013584018	0	36	-2.0	-99.56	326.85	2.11	-97.45
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CC1=CC=C(C(=O)[N-]NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)O1	REAL300013660408	0	36	-2.0	-95.55	331.45	3.64	-91.91
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CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013661432	0	38	-2.0	-103.50	324.30	7.15	-96.35
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=CC(Br)=C2[O-])C=C1	REAL300013661933	1	36	-2.0	-93.48	342.37	5.18	-88.30
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300013661980	0	36	-2.0	-89.43	354.81	5.55	-83.88
O=C([O-])C1=CC=C(CNC(=O)NNC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C=C1	REAL300013662415	0	39	-2.0	-94.09	359.46	5.72	-88.37
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COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013692150	0	42	-2.0	-114.09	358.02	6.20	-107.89
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CC1=C(C(=O)[N-]NC(=O)NCCCCCC(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300013705909	1	47	-2.0	-93.28	415.23	5.82	-87.46
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CC1CC(C(=O)[O-])CN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013706155	0	43	-2.0	-96.01	342.17	7.78	-88.23
CC1(C(=O)[O-])CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706156	0	43	-2.0	-99.55	338.84	7.26	-92.29
CC1CCN(C(=O)NCCCCCC(=O)[O-])CC1C(=O)[O-]	REAL300013706173	0	43	-2.0	-97.43	345.06	7.50	-89.93
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CCC(CC)(CNC(=O)NCCCCCC(=O)[O-])C(=O)[O-]	REAL300013706194	0	45	-2.0	-98.37	357.13	6.17	-92.20
CC(NC(=O)NCCCCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013706227	0	49	-2.0	-103.28	384.37	7.05	-96.23
CC(CNC(=O)NCCCCCC(=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300013706243	0	46	-2.0	-99.95	380.40	7.80	-92.15
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCCCCC(=O)[O-]	REAL300013706265	1	47	-2.0	-89.51	382.56	4.85	-84.66
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CC1CN(C(=O)NCCCCCC(=O)[O-])CCC1C(=O)[O-]	REAL300013706467	0	43	-2.0	-97.24	338.71	7.69	-89.55
C[C@@H]1CCN(C(=O)NCCCCCC(=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013706516	1	47	-2.0	-96.24	388.84	4.82	-91.42
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CC1(C(=O)[O-])CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706544	0	43	-2.0	-99.55	338.84	7.26	-92.29
CC(C)C[C@H](CNC(=O)NCCCCCC(=O)[O-])CC(=O)[O-]	REAL300013706573	0	48	-2.0	-102.22	378.05	6.86	-95.36
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CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCCCCC(=O)[O-])C2)C=N1	REAL300013706810	0	50	-2.0	-109.94	403.54	8.43	-101.51
O=C([O-])CCCCCNC(=O)NCC1=NC2=C(COCC2)C(=O)[N-]1	REAL300013706848	1	44	-2.0	-92.58	368.27	1.45	-91.13
O=C([O-])CCCCCNC(=O)NCC1=CC=C([O-])C(Cl)=C1	REAL300013706971	1	38	-2.0	-91.22	344.29	4.48	-86.74
O=C([O-])CCCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013706995	0	40	-2.0	-102.21	349.30	6.58	-95.63
COC(=O)C1CC2(C1)CN(C(=O)NCCCCCC(=O)[O-])CC2C(=O)[O-]	REAL300013707085	0	50	-2.0	-99.00	409.84	8.45	-90.55
O=C([O-])CCCCCNC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300013707224	1	41	-2.0	-91.75	360.38	4.76	-86.99
O=C([O-])CCCCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013707331	0	46	-2.0	-109.93	359.93	8.36	-101.57
O=C([O-])CCCCCCCNC(=O)NCCCCCC(=O)[O-]	REAL300013707393	0	48	-2.0	-97.76	397.53	7.62	-90.14
O=C([O-])CCCCCCNC(=O)NCCCCCC(=O)[O-]	REAL300013707394	0	45	-2.0	-98.64	376.03	6.83	-91.81
CC1(C(=O)[O-])CCCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013707421	0	43	-2.0	-100.94	340.87	7.73	-93.21
COCC1(C(=O)[O-])CCCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013707422	0	47	-2.0	-104.74	373.05	6.88	-97.86
COCCN(CCC(=O)[O-])C(=O)NCCCCCC(=O)[O-]	REAL300013707471	0	43	-2.0	-98.27	360.86	6.23	-92.04
O=C([O-])CCCCCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013707566	0	49	-2.0	-103.34	399.27	8.47	-94.87
O=C([O-])CCCCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013707955	0	46	-2.0	-100.82	366.36	8.40	-92.42
O=C([O-])CCCCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013707956	0	44	-2.0	-110.59	358.64	9.73	-100.86
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCCCCC(=O)[O-])CCO1	REAL300013707957	0	51	-2.0	-98.32	415.60	6.70	-91.62
O=C([O-])CCCCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013708023	0	41	-2.0	-93.18	338.54	5.74	-87.44
CC1CCC(C(=O)[O-])CN1C(=O)NCCCCCC(=O)[O-]	REAL300013708034	0	43	-2.0	-96.01	341.43	7.52	-88.49
O=C([O-])CCCCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013708043	0	47	-2.0	-97.24	388.69	9.57	-87.67
O=C([O-])CCCCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013708052	0	41	-2.0	-99.08	335.61	4.53	-94.55
O=C([O-])CCCCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013708057	0	44	-2.0	-97.03	369.67	7.73	-89.30
CC1CCN(C(=O)NCCCCCC(=O)[O-])CC1[N-]C(=O)C(F)(F)F	REAL300013708093	1	47	-2.0	-95.35	390.34	4.43	-90.92
O=C([O-])CCCCCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013708110	0	47	-2.0	-120.16	377.61	6.81	-113.35
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013708112	1	44	-2.0	-91.52	374.72	3.24	-88.28
C[C@@H]1CCN(C(=O)NCCCCCC(=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013708113	1	47	-2.0	-96.24	388.84	4.82	-91.42
O=C([O-])CCCCCNC(=O)NCC1=CC=CC(Cl)=C1[O-]	REAL300013708208	1	38	-2.0	-93.44	343.22	4.52	-88.92
COCC1(C(=O)[O-])CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013708262	0	47	-2.0	-101.58	370.82	6.38	-95.20
O=C([O-])CCCCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013708330	0	49	-2.0	-94.78	372.65	7.26	-87.52
O=C([O-])CCCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013708392	0	43	-2.0	-98.63	347.50	6.71	-91.92
O=C([O-])CCCCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013708408	0	46	-2.0	-98.97	371.69	7.00	-91.97
O=C([O-])CCCCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013708417	0	43	-2.0	-97.31	343.74	7.63	-89.68
N#CC1=CC2=C(CCN(C(=O)NCCCCCC(=O)[O-])C2)[N-]C1=O	REAL300013708501	0	42	-2.0	-92.79	358.47	4.76	-88.03
O=C([O-])CCCCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013708582	0	44	-2.0	-100.11	360.28	7.05	-93.06
O=C([O-])CCCCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013708619	0	43	-2.0	-96.90	351.93	6.28	-90.62
O=C([O-])CCCCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013708625	0	43	-2.0	-96.61	351.40	6.27	-90.34
O=C([O-])CCCCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013708682	0	44	-2.0	-96.55	353.87	4.85	-91.70
O=C([O-])CCCCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013708718	0	41	-2.0	-96.40	338.68	3.82	-92.58
CC(C)(CC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1)C(=O)[O-]	REAL300013708868	0	52	-2.0	-97.06	424.56	8.96	-88.10
O=C([O-])CCCCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013708995	0	44	-2.0	-95.48	355.01	7.79	-87.69
O=C([O-])CCCCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013709048	0	40	-2.0	-94.32	346.02	6.82	-87.50
CC1(C(=O)[O-])CN(C(=O)NCCCCCC(=O)[O-])CCO1	REAL300013709059	0	41	-2.0	-100.81	333.90	6.21	-94.60
CC1=NN(C2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C(=O)[N-]1	REAL300013709148	1	47	-2.0	-96.20	382.70	5.08	-91.12
COC1CC(C(=O)[O-])CN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013709271	0	44	-2.0	-98.59	357.09	6.05	-92.54
O=C([O-])CCCCCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013709309	0	49	-2.0	-103.39	404.55	5.52	-97.87
CC(C)(CNC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300013709859	1	41	-2.0	-104.06	350.83	1.42	-102.64
CC(C)(CNC(=O)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300013710346	0	35	-2.0	-100.67	336.33	4.11	-96.56
CC(C)(CNC(=O)N[N-]C(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300013710417	1	35	-2.0	-94.18	325.97	4.16	-90.02
CC(C)(CNC(=O)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1)C(=O)[O-]	REAL300013710581	1	47	-2.0	-98.10	375.17	6.86	-91.24
CC1=CC=C(C2=CC(C(=O)[N-]NC(=O)NCC(C)(C)C(=O)[O-])=NN2)C=C1	REAL300013710593	1	45	-2.0	-102.56	383.50	4.00	-98.56
CC(C)(CNC(=O)N1CCC(C(=O)[N-]C2=NN=CS2)CC1)C(=O)[O-]	REAL300013710763	0	43	-2.0	-98.41	360.33	3.74	-94.67
CC(C)(CNC(=O)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1)C(=O)[O-]	REAL300013711599	0	39	-2.0	-95.69	343.28	4.11	-91.58
CC(C)(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C(=O)[O-]	REAL300013711783	0	47	-2.0	-103.11	372.33	9.50	-93.61
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)NCC(C)(C)C(=O)[O-])S1	REAL300013712113	0	48	-2.0	-102.92	397.45	3.29	-99.63
CC(C)(CNC(=O)NCC1=CC=CC(Br)=C1[O-])C(=O)[O-]	REAL300013712238	1	35	-2.0	-95.62	317.97	3.75	-91.87
CCOC(=O)C1=NC(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)=N[N-]1	REAL300013712255	1	49	-2.0	-96.61	399.11	6.60	-90.01
CCOC(=O)C1=N[N-]C(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)=N1	REAL300013712255	1	49	-2.0	-96.76	399.13	6.61	-90.15
CC(C)(CNC(=O)NCC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300013712270	0	35	-2.0	-91.28	330.99	4.10	-87.18
CCOC(=O)C1=N[N-]C(C2=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C2)=N1	REAL300013712582	1	49	-2.0	-98.26	422.08	6.56	-91.70
CC(C)(CNC(=O)NNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300013712622	0	38	-2.0	-89.07	335.06	4.28	-84.79
CC(C)(CNC(=O)N[N-]C(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300013713028	1	35	-2.0	-95.76	323.99	4.09	-91.67
CC(C)(CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(=O)[O-]	REAL300013713299	1	44	-2.0	-89.06	365.76	3.50	-85.56
CC(C)(CNC(=O)N[N-]C(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300013713389	0	38	-2.0	-100.05	332.78	3.75	-96.30
CC(C)(CNC(=O)N[N-]C(=O)C1=NC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300013714037	0	40	-2.0	-105.06	345.40	3.73	-101.33
CC(C)(CNC(=O)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1)C(=O)[O-]	REAL300013714302	0	44	-2.0	-100.08	377.48	0.31	-99.77
CC1=C(C(=O)[N-]NC(=O)NCC(C)(C)C(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300013714370	1	44	-2.0	-97.36	385.58	4.93	-92.43
CC(C)(CNC(=O)N[N-]C(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300013714397	0	32	-2.0	-92.37	315.54	3.15	-89.22
CC(C)(CNC(=O)N[N-]C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C(=O)[O-]	REAL300013714423	0	42	-3.0	-197.12	369.73	2.57	-194.55
CC(C)(CNC(=O)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1)C(=O)[O-]	REAL300013714436	0	46	-2.0	-100.45	397.50	4.80	-95.65
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)[O-]	REAL300013714618	0	41	-2.0	-98.65	321.98	3.77	-94.88
CC(NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013714655	0	46	-2.0	-107.26	354.83	6.14	-101.12
CC(C)(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(=O)[O-]	REAL300013714667	0	43	-2.0	-101.85	350.76	6.92	-94.93
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013714683	1	44	-2.0	-94.46	353.43	3.93	-90.53
CC(C)(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C(=O)[O-]	REAL300013714727	0	43	-2.0	-100.20	336.41	7.52	-92.68
CC(C)(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(=O)[O-]	REAL300013714728	0	39	-2.0	-109.07	313.72	4.22	-104.85
C[C@@H]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013714891	1	44	-2.0	-104.74	359.77	3.91	-100.83
CC(C)C[C@H](CNC(=O)NCC(C)(C)C(=O)[O-])CC(=O)[O-]	REAL300013714942	0	45	-2.0	-96.48	353.80	6.21	-90.27
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013715039	0	41	-2.0	-107.21	334.20	4.75	-102.46
CC(C)(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C(=O)[O-]	REAL300013715127	0	42	-2.0	-97.97	335.98	3.23	-94.74
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC(C)(C)C(=O)[O-])C2)C=N1	REAL300013715149	0	47	-2.0	-117.03	373.90	7.54	-109.49
CC(C)(CNC(=O)NCC1=NC2=C(COCC2)C(=O)[N-]1)C(=O)[O-]	REAL300013715181	1	41	-2.0	-94.72	338.63	0.54	-94.18
CC(C)(CNC(=O)NCC1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300013715295	1	35	-2.0	-92.12	315.24	3.58	-88.54
COC(=O)C1CC2(C1)CN(C(=O)NCC(C)(C)C(=O)[O-])CC2C(=O)[O-]	REAL300013715394	0	47	-2.0	-98.45	380.78	7.55	-90.90
CC(C)(CNC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300013715512	1	38	-2.0	-94.90	331.32	3.86	-91.04
CC(C)(CNC(=O)N1CCCCC1CCC(=O)[O-])C(=O)[O-]	REAL300013715602	0	43	-2.0	-120.15	330.87	7.45	-112.70
CC(C)(CNC(=O)NCCCCCCCC(=O)[O-])C(=O)[O-]	REAL300013715653	0	45	-2.0	-99.92	367.89	6.73	-93.19
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013715675	0	44	-2.0	-107.61	343.34	6.59	-101.02
CC(C)(CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C(=O)[O-]	REAL300013715789	0	46	-2.0	-105.72	369.62	7.58	-98.14
CC(C)(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C(=O)[O-]	REAL300013717035	0	37	-2.0	-96.07	316.39	5.92	-90.15
CC1=NN(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C(=O)[N-]1	REAL300013717118	1	44	-2.0	-97.28	353.06	4.18	-93.10
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013717224	0	41	-2.0	-98.36	328.03	5.14	-93.22
CC(C)(CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C(=O)[O-]	REAL300013717254	0	46	-2.0	-105.30	375.50	4.61	-100.69
O=C([O-])CCNC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013751287	1	43	-2.0	-100.54	383.67	3.64	-96.90
O=C([O-])CCCNC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300013751288	1	46	-2.0	-98.29	405.17	4.43	-93.86
CC(CNC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300013751289	1	46	-2.0	-100.12	401.34	4.38	-95.74
O=C([O-])C1CN(C(=O)NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)C1	REAL300013751290	1	44	-2.0	-98.98	391.40	5.25	-93.73
O=C([O-])CCNC(=O)NCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1	REAL300013767563	1	43	-2.0	-91.02	391.31	3.68	-87.34
O=C([O-])C1CCN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC1	REAL300013815792	1	42	-2.0	-103.46	350.56	3.22	-100.24
O=C([O-])C1=CC=C(CNC(=O)NCCNC(=O)C2=NC=CC=C2[O-])C=C1	REAL300013815793	1	42	-2.0	-104.55	374.65	2.87	-101.68
O=C([O-])C1CN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCO1	REAL300013815794	1	40	-2.0	-104.11	343.69	1.70	-102.41
O=C([O-])C1CCC(NC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC1	REAL300013815795	1	45	-2.0	-104.93	371.53	2.95	-101.98
O=C([O-])CCCCNC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300013815796	1	41	-2.0	-103.30	358.39	1.54	-101.76
O=C([O-])C1=CC(CNC(=O)NCCNC(=O)C2=NC=CC=C2[O-])=CC=C1	REAL300013815797	1	42	-2.0	-107.79	374.66	2.86	-104.93
O=C([O-])CCCCCNC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300013815798	1	44	-2.0	-102.36	379.89	2.33	-100.03
CC(C)(CNC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300013815799	1	41	-2.0	-104.06	350.83	1.42	-102.64
CC1(C(=O)[O-])CCN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300013815800	1	42	-2.0	-102.29	357.74	2.82	-99.47
CC1CC(C(=O)[O-])CN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300013815801	1	45	-2.0	-103.36	371.73	3.81	-99.55
CC1(C(=O)[O-])CCN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC1	REAL300013815802	1	45	-2.0	-104.88	364.20	3.54	-101.34
O=C([O-])CCCNC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300013815803	1	38	-2.0	-100.83	336.89	0.76	-100.07
CC1CCN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC1C(=O)[O-]	REAL300013815804	1	45	-2.0	-104.64	366.80	3.69	-100.95
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CC(C)(CCNC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300013815806	1	44	-2.0	-101.32	369.59	1.64	-99.68
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CC(C)C(CNC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300013815809	1	44	-2.0	-102.84	366.42	2.06	-100.78
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CC1CN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCC1C(=O)[O-]	REAL300013815816	1	45	-2.0	-102.90	363.97	3.97	-98.93
O=C([O-])C1(CNC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCC1	REAL300013815817	1	42	-2.0	-103.09	357.37	2.12	-100.97
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CC1(C(=O)[O-])CCN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CC1	REAL300013815819	1	45	-2.0	-104.88	364.20	3.54	-101.34
CC(C)C[C@H](CNC(=O)NCCNC(=O)C1=NC=CC=C1[O-])CC(=O)[O-]	REAL300013815820	1	50	-2.0	-107.57	403.40	3.14	-104.43
O=C([O-])C1=CC=CC=C1CNC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300013815821	1	42	-2.0	-111.60	368.26	2.98	-108.62
COCC1(C(=O)[O-])CCN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300013815822	1	46	-2.0	-109.70	388.61	1.95	-107.75
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O=C([O-])[C@H]1C[C@H](NC(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300013815828	1	39	-2.0	-102.01	342.25	1.38	-100.63
O=C([O-])C1=CC(CNC(=O)NCCNC(=O)C2=NC=CC=C2[O-])=CC=C1	REAL300013815829	1	42	-2.0	-107.79	374.66	2.86	-104.93
CCC(CNC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300013815830	1	41	-2.0	-102.19	350.97	1.65	-100.54
O=C([O-])CCC1CCCCN1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300013815831	1	48	-2.0	-114.19	384.76	4.64	-109.55
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CN(CCCC(=O)[O-])C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300013815834	1	41	-2.0	-107.41	354.52	3.16	-104.25
CC1(C(=O)[O-])CCCN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300013815835	1	45	-2.0	-105.07	366.21	4.00	-101.07
COCC1(C(=O)[O-])CCCN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300013815836	1	49	-2.0	-108.83	398.40	3.15	-105.68
COCCN(CCC(=O)[O-])C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300013815837	1	45	-2.0	-106.75	386.21	2.51	-104.24
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CC1CCC(C(=O)[O-])CN1C(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300013815841	1	45	-2.0	-103.74	366.79	3.80	-99.94
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CC1(C(=O)[O-])CN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCO1	REAL300013815861	1	43	-2.0	-105.03	359.26	2.49	-102.54
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COC1CC(C(=O)[O-])CN(C(=O)NCCNC(=O)C2=NC=CC=C2[O-])C1	REAL300013815863	1	46	-2.0	-102.53	384.18	2.26	-100.27
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CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)NCCCCC(=O)[O-])S1	REAL300013822122	0	48	-2.0	-101.07	405.60	3.39	-97.68
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CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300013822156	0	52	-2.0	-97.93	429.36	4.65	-93.28
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300013822157	0	50	-2.0	-98.21	411.24	1.95	-96.26
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013822158	0	47	-2.0	-100.59	401.49	3.86	-96.73
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)NCC2(C(=O)[O-])CC2)S1	REAL300013822159	0	46	-2.0	-95.99	389.39	3.44	-92.55
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300013822160	0	50	-2.0	-103.62	411.79	4.59	-99.03
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)N2CC(C(=O)[O-])C2)S1	REAL300013822161	0	43	-2.0	-94.93	371.10	3.35	-91.58
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)N2CCC(C(=O)[O-])C2)S1	REAL300013822162	0	46	-2.0	-100.63	386.00	4.15	-96.48
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300013822163	0	47	-2.0	-102.79	401.06	3.88	-98.91
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)NC(C)CCC(=O)[O-])S1	REAL300013822164	0	48	-2.0	-97.71	403.85	3.61	-94.10
O=C([O-])CCCNC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300013849904	1	38	-2.0	-100.83	336.89	0.76	-100.07
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O=C([O-])CCCNC(=O)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300013850562	1	44	-2.0	-94.55	361.81	6.20	-88.35
CC1=CC=C(C2=CC(C(=O)[N-]NC(=O)NCCCC(=O)[O-])=NN2)C=C1	REAL300013850572	1	42	-2.0	-100.58	370.15	3.33	-97.25
O=C([O-])CCCNC(=O)N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300013850731	0	40	-2.0	-95.34	346.95	3.08	-92.26
O=C([O-])CCCNC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1	REAL300013850971	1	49	-2.0	-83.79	402.09	2.95	-80.84
O=C([O-])CCCNC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	REAL300013851085	0	44	-2.0	-85.40	386.63	0.45	-84.95
O=C([O-])CCCNC(=O)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1	REAL300013851438	0	36	-2.0	-94.44	329.93	3.44	-91.00
O=C([O-])CCCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013851601	0	44	-2.0	-100.50	358.39	8.85	-91.65
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)NCCCC(=O)[O-])S1	REAL300013851883	0	45	-2.0	-96.83	384.10	2.61	-94.22
O=C([O-])CCCNC(=O)NCC1=CC=CC(Br)=C1[O-]	REAL300013851988	1	32	-2.0	-92.03	304.61	3.07	-88.96
CCOC(=O)C1=N[N-]C(C2CCN(C(=O)NCCCC(=O)[O-])CC2)=N1	REAL300013852002	1	46	-2.0	-93.32	385.22	5.98	-87.34
O=C([O-])CCCNC(=O)NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300013852015	0	32	-2.0	-87.79	317.05	3.44	-84.35
CCOC(=O)C1=N[N-]C(C2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)=N1	REAL300013852291	1	46	-2.0	-95.28	408.14	5.90	-89.38
O=C([O-])CCCNC(=O)NNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300013852328	0	35	-2.0	-89.27	321.70	3.62	-85.65
O=C([O-])CCCNC(=O)N[N-]C(=O)C1=CC=C(Cl)C=C1F	REAL300013852665	1	32	-2.0	-92.07	310.63	3.42	-88.65
O=C([O-])CCCNC(=O)N[N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300013852985	0	35	-2.0	-98.34	318.84	3.10	-95.24
O=C([O-])CCCNC(=O)N[N-]C(=O)C1=NC2=CC=CC=C2C=C1	REAL300013853538	0	37	-2.0	-103.46	331.47	3.08	-100.38
O=C([O-])CCCNC(=O)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1	REAL300013853790	0	41	-2.0	-98.08	364.13	-0.36	-98.44
CC1=C(C(=O)[N-]NC(=O)NCCCC(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300013853848	1	41	-2.0	-94.57	372.23	4.26	-90.31
O=C([O-])CCCNC(=O)N[N-]C(=O)C1=CC=C(Br)S1	REAL300013853875	0	29	-2.0	-89.79	302.18	2.48	-87.31
O=C([O-])CCCNC(=O)N[N-]C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300013853897	0	39	-3.0	-196.07	355.79	1.91	-194.16
O=C([O-])CCCNC(=O)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1	REAL300013853909	0	43	-2.0	-98.65	383.56	4.14	-94.51
CC(NC(=O)NCCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013854110	0	43	-2.0	-101.25	340.89	5.48	-95.77
CC(CNC(=O)NCCCC(=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300013854119	0	40	-2.0	-97.45	333.27	6.36	-91.09
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCCC(=O)[O-]	REAL300013854132	1	41	-2.0	-88.98	339.56	3.29	-85.69
C[C@@H]1CCN(C(=O)NCCCC(=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013854293	1	41	-2.0	-95.60	345.84	3.26	-92.34
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCCC(=O)[O-])C2)C=N1	REAL300013854508	0	44	-2.0	-109.99	360.54	6.87	-103.12
O=C([O-])CCCNC(=O)NCC1=NC2=C(COCC2)C(=O)[N-]1	REAL300013854532	1	38	-2.0	-90.94	325.27	-0.12	-91.06
COC(=O)C1CC2(C1)CN(C(=O)NCCCC(=O)[O-])CC2C(=O)[O-]	REAL300013854701	0	44	-2.0	-98.46	366.84	6.89	-91.57
O=C([O-])CCCNC(=O)NCCC1=C(F)C=C([O-])C=C1F	REAL300013854793	1	35	-2.0	-89.52	317.38	3.20	-86.32
COCC1(C(=O)[O-])CCCN(C(=O)NCCCC(=O)[O-])C1	REAL300013854924	0	41	-2.0	-101.21	329.40	5.94	-95.27
CC1=NN(C2CCN(C(=O)NCCCC(=O)[O-])CC2)C(=O)[N-]1	REAL300013856055	1	41	-2.0	-94.42	339.70	3.52	-90.90
O=C([O-])CCCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013856153	0	43	-2.0	-100.74	361.56	3.96	-96.78
O=C([O-])C1(CNC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCOCC1	REAL300013856804	1	46	-2.0	-103.02	376.97	0.91	-102.11
O=C([O-])C1(CNC(=O)N[N-]C(=O)C2=C(Cl)C=CC=C2Cl)CCOCC1	REAL300013857225	0	40	-2.0	-110.27	362.48	3.63	-106.64
O=C([O-])C1(CNC(=O)N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)CCOCC1	REAL300013857493	1	52	-2.0	-98.65	401.85	6.33	-92.32
O=C([O-])C1(CNC(=O)N2CCC(C(=O)[N-]C3=NN=CS3)CC2)CCOCC1	REAL300013857661	0	48	-2.0	-102.84	387.04	3.22	-99.62
CC1=CC=C(C(=O)[N-]NC(=O)NCC2(C(=O)[O-])CCOCC2)O1	REAL300013857894	0	40	-2.0	-108.00	334.77	1.52	-106.48
O=C([O-])C1(CNC(=O)N[N-]C(=O)C(F)(F)OC2=CC=CC=C2)CCOCC1	REAL300013858716	0	44	-2.0	-106.88	370.02	3.60	-103.28
O=C([O-])C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858925	0	42	-2.0	-105.00	323.83	5.64	-99.36
O=C([O-])C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013858926	0	42	-2.0	-98.62	346.38	5.19	-93.43
O=C([O-])C1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1	REAL300013858927	0	40	-2.0	-104.16	315.13	3.76	-100.40
O=C([O-])C1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858928	0	45	-2.0	-96.17	350.02	4.70	-91.47
O=C([O-])CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858929	0	41	-2.0	-97.45	330.12	3.87	-93.58
O=C([O-])C1=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=CC=C1	REAL300013858930	0	42	-2.0	-98.61	347.39	5.00	-93.61
O=C([O-])CCCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858931	0	44	-2.0	-96.86	351.62	4.65	-92.21
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858932	0	52	-2.0	-100.45	395.88	8.47	-91.98
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)[O-]	REAL300013858933	0	41	-2.0	-98.65	321.98	3.77	-94.88
CC1(C(=O)[O-])CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013858934	0	42	-2.0	-107.50	327.62	5.02	-102.48
O=C([O-])C1(CNC(=O)NCC2=CC=CC(Br)=C2[O-])CCOCC1	REAL300013859415	1	40	-2.0	-93.78	345.70	3.05	-90.73
O=C([O-])C1(CNC(=O)NCC2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300013859460	0	40	-2.0	-98.47	357.14	3.60	-94.87
O=C([O-])C1(CNC(=O)NNC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])CCOCC1	REAL300013859872	0	43	-2.0	-91.41	362.79	3.59	-87.82
CC1=CC=CC(C(=O)[N-]NC(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013860232	0	42	-2.0	-114.85	346.89	1.70	-113.15
O=C([O-])C1(CNC(=O)N[N-]C(=O)C2=CC=C(Cl)C=C2F)CCOCC1	REAL300013860343	1	40	-2.0	-101.02	351.71	3.40	-97.62
O=C([O-])C1(CNC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCOCC1	REAL300013860671	1	49	-2.0	-91.72	391.92	3.01	-88.71
O=C([O-])C1(CNC(=O)N[N-]C(=O)C2=CC3=CC=CC=C3O2)CCOCC1	REAL300013860780	0	43	-2.0	-112.63	358.92	3.27	-109.36
O=C([O-])C1(CNC(=O)N[N-]C(=O)C2=NC3=CC=CC=C3C=C2)CCOCC1	REAL300013861484	0	45	-2.0	-117.96	372.55	3.06	-114.90
CC1CC(C(=O)[O-])CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862057	0	45	-2.0	-98.31	342.47	6.19	-92.12
CC1(C(=O)[O-])CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862059	0	45	-2.0	-105.95	336.54	5.87	-100.08
CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1C(=O)[O-]	REAL300013862076	0	45	-2.0	-98.37	333.30	5.54	-92.83
O=C([O-])C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCOCC1	REAL300013862079	0	46	-2.0	-98.71	349.70	3.07	-95.64
CC(C)(CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)[O-]	REAL300013862102	0	44	-2.0	-97.08	341.33	3.97	-93.11
CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)[O-]	REAL300013862106	0	47	-2.0	-110.40	354.22	4.77	-105.63
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)[O-]	REAL300013862150	0	44	-2.0	-99.94	338.15	4.37	-95.57
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013862151	0	51	-2.0	-98.85	385.47	6.18	-92.67
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013862164	0	48	-2.0	-104.36	377.50	6.41	-97.95
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862186	0	49	-2.0	-87.80	377.96	3.48	-84.32
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862186	1	49	-2.0	-87.80	377.96	3.48	-84.32
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862224	0	42	-2.0	-99.49	330.05	4.34	-95.15
O=C([O-])CCC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862250	0	48	-2.0	-101.88	363.14	7.02	-94.86
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C2	REAL300013862251	0	44	-2.0	-94.13	340.83	3.67	-90.46
O=C([O-])C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCC1	REAL300013862275	0	45	-2.0	-101.60	347.08	5.14	-96.46
CC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCC1C(=O)[O-]	REAL300013862421	0	45	-2.0	-102.36	335.39	6.05	-96.31
O=C([O-])C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCC1	REAL300013862470	0	42	-2.0	-108.95	327.48	4.47	-104.48
C[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@@H]1NC(=O)C(F)(F)F	REAL300013862476	0	49	-2.0	-96.97	385.93	3.42	-93.55
C[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013862476	1	49	-2.0	-96.97	385.93	3.42	-93.55
O=C([O-])CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CC1	REAL300013862480	0	45	-2.0	-103.96	355.13	4.88	-99.08
CC1(C(=O)[O-])CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862509	0	45	-2.0	-105.95	336.54	5.87	-100.08
CC(C)C[C@H](CNC(=O)NCC1(C(=O)[O-])CCOCC1)CC(=O)[O-]	REAL300013862540	0	50	-2.0	-107.34	376.11	5.33	-102.01
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862574	0	42	-2.0	-107.01	339.99	5.29	-101.72
COCC1(C(=O)[O-])CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862688	0	46	-2.0	-99.40	358.91	4.60	-94.80
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862781	0	39	-2.0	-99.52	313.70	3.65	-95.87
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3(C(=O)[O-])CCOCC3)C2)C=N1	REAL300013862811	0	52	-2.0	-126.13	400.63	7.02	-119.11
O=C([O-])[C@@H]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862812	0	42	-2.0	-100.82	322.59	5.55	-95.27
O=C([O-])C1(CNC(=O)NCC2=NC3=C(COCC3)C(=O)N2)CCOCC1	REAL300013862847	0	46	-2.0	-94.44	365.37	0.04	-94.40
O=C([O-])C1(CNC(=O)NCC2=NC3=C(COCC3)C(=O)[N-]2)CCOCC1	REAL300013862847	1	46	-2.0	-94.44	365.37	0.04	-94.40
O=C([O-])[C@H]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862852	0	42	-2.0	-99.63	323.77	5.60	-94.03
O=C([O-])C1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862963	0	39	-2.0	-96.37	314.09	3.64	-92.73
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862964	0	39	-2.0	-97.60	311.97	3.74	-93.86
O=C([O-])C1(CNC(=O)NCC2=CC=C(O)C(Cl)=C2)CCOCC1	REAL300013862972	0	40	-2.0	-90.45	342.38	2.90	-87.55
O=C([O-])C1(CNC(=O)NCC2=CC=C([O-])C(Cl)=C2)CCOCC1	REAL300013862972	1	40	-2.0	-90.45	342.38	2.90	-87.55
O=C([O-])C1=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=CC=C1	REAL300013862994	0	42	-2.0	-98.61	347.39	5.00	-93.61
COC(=O)C1CC2(C1)CN(C(=O)NCC1(C(=O)[O-])CCOCC1)CC2C(=O)[O-]	REAL300013863087	0	52	-2.0	-107.71	406.74	7.07	-100.64
CCC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)[O-]	REAL300013863202	0	41	-2.0	-100.73	327.62	3.76	-96.97
O=C([O-])C1(CNC(=O)NCCC2=C(F)C=C([O-])C=C2F)CCOCC1	REAL300013863257	1	43	-2.0	-88.61	358.46	3.18	-85.43
O=C([O-])CCC1CCCCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863367	0	48	-2.0	-108.45	357.38	6.75	-101.70
O=C([O-])CCCCCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863441	0	50	-2.0	-96.47	394.62	6.21	-90.26
O=C([O-])CCCCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863442	0	47	-2.0	-97.03	373.12	5.43	-91.60
CN(CCCC(=O)[O-])C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863464	0	41	-2.0	-107.75	326.25	5.48	-102.27
CC1(C(=O)[O-])CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013863472	0	45	-2.0	-100.02	338.62	6.31	-93.71
COCC1(C(=O)[O-])CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013863473	0	49	-2.0	-102.02	371.40	5.29	-96.73
COCCN(CCC(=O)[O-])C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863531	0	45	-2.0	-109.36	357.94	4.83	-104.53
O=C([O-])CCC1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864104	0	48	-2.0	-98.15	363.12	6.74	-91.41
O=C([O-])C1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC2=CC=CC=C21	REAL300013864105	0	46	-2.0	-119.54	357.46	7.90	-111.64
O=C([O-])C(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013864182	0	43	-2.0	-93.58	335.62	4.32	-89.26
CC1CCC(C(=O)[O-])CN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864195	0	45	-2.0	-105.16	339.51	5.94	-99.22
O=C([O-])[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@H]1C1=CC=CC=C1	REAL300013864208	0	49	-2.0	-105.56	384.08	8.12	-97.44
O=C([O-])C1(O)CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864223	0	43	-2.0	-95.74	333.66	2.93	-92.81
O=C([O-])C1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C2=CC=CC=C21	REAL300013864228	0	46	-2.0	-99.30	367.44	6.45	-92.85
CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1[N-]C(=O)C(F)(F)F	REAL300013864266	1	49	-2.0	-105.66	385.97	3.42	-102.24
O=C([O-])CN1CCCCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1=O	REAL300013864294	0	49	-2.0	-130.32	375.67	5.23	-125.09
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864296	1	46	-2.0	-99.31	370.18	1.88	-97.43
C[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013864297	1	49	-2.0	-96.97	385.93	3.42	-93.55
O=C([O-])C1(CNC(=O)NCC2=CC=CC(Cl)=C2[O-])CCOCC1	REAL300013864408	1	40	-2.0	-94.73	341.31	2.94	-91.79
COCC1(C(=O)[O-])CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013864464	0	49	-2.0	-108.18	366.71	5.73	-102.45
O=C([O-])C12CC(NC(=O)NCC3(C(=O)[O-])CCOCC3)(C1)C2	REAL300013864471	0	40	-2.0	-97.12	326.19	3.68	-93.44
O=C([O-])CC1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCCC1	REAL300013864545	0	51	-2.0	-96.18	369.74	5.86	-90.32
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013864613	0	45	-2.0	-108.08	344.58	5.30	-102.78
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013864635	0	48	-2.0	-98.78	368.77	5.60	-93.18
O=C([O-])CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013864646	0	45	-2.0	-97.67	340.83	6.24	-91.43
N#CC1=CC2=C(CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)C2)[N-]C1=O	REAL300013864739	0	44	-2.0	-94.98	356.61	3.19	-91.79
O=C([O-])COC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013864835	0	46	-2.0	-104.12	357.43	5.67	-98.45
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864876	0	45	-2.0	-96.01	348.49	4.86	-91.15
O=C([O-])C1CCCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864884	0	45	-2.0	-96.55	349.02	4.89	-91.66
O=C([O-])C1(CNC(=O)NCC2(C(=O)[O-])CCCOC2)CCOCC1	REAL300013864944	0	46	-2.0	-101.08	350.60	3.21	-97.87
O=C([O-])C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCOC1	REAL300013864979	0	43	-2.0	-105.83	336.76	2.23	-103.60
CC(C)(CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1)C(=O)[O-]	REAL300013865165	0	54	-2.0	-96.09	421.02	7.55	-88.54
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C2	REAL300013865217	0	40	-2.0	-99.39	325.24	4.37	-95.02
O=C([O-])C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013865218	0	39	-2.0	-101.87	314.27	4.02	-97.85
O=C([O-])C1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC12CCC2	REAL300013865311	0	46	-2.0	-101.23	350.89	6.34	-94.89
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013865378	0	42	-2.0	-91.39	344.11	5.23	-86.16
CC1(C(=O)[O-])CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1	REAL300013865393	0	43	-2.0	-104.37	329.33	4.87	-99.50
CC1=NN(C2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)C(=O)[N-]1	REAL300013865493	1	49	-2.0	-93.75	380.75	3.50	-90.25
COC1CC(C(=O)[O-])CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013865631	0	46	-2.0	-105.90	355.85	4.54	-101.36
O=C([O-])C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013865895	0	39	-2.0	-95.63	311.74	4.44	-91.19
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C2	REAL300013865974	0	40	-2.0	-99.75	324.52	4.38	-95.37
CC(CCC(=O)[O-])NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013866031	0	41	-2.0	-96.41	328.38	4.11	-92.30
CC(C)(CCNC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300013867431	1	44	-2.0	-101.32	369.59	1.64	-99.68
CC(C)(CCNC(=O)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300013867923	0	38	-2.0	-97.97	355.09	4.33	-93.64
CC(C)(CCNC(=O)N[N-]C(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300013868003	1	38	-2.0	-92.08	345.31	4.40	-87.68
CC(C)(CCNC(=O)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1)C(=O)[O-]	REAL300013868179	1	50	-2.0	-95.09	394.51	7.07	-88.02
CC1=CC=C(C2=CC(C(=O)[N-]NC(=O)NCCC(C)(C)C(=O)[O-])=NN2)C=C1	REAL300013868195	1	48	-2.0	-101.17	402.85	4.20	-96.97
CC(C)(CCNC(=O)N1CCC(C(=O)[N-]C2=NN=CS2)CC1)C(=O)[O-]	REAL300013868372	0	46	-2.0	-95.72	380.23	3.97	-91.75
CC(C)(CCNC(=O)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1)C(=O)[O-]	REAL300013869316	0	42	-2.0	-95.19	363.21	4.33	-90.86
CC(C)(CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C(=O)[O-]	REAL300013869514	0	40	-2.0	-97.95	339.00	5.89	-92.06
CC(C)(CCNC(=O)NC1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300013869515	0	43	-2.0	-98.83	337.79	6.04	-92.79
CC(C)(CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300013869516	0	40	-2.0	-101.27	339.59	5.90	-95.37
CC(C)(CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C(=O)[O-]	REAL300013869517	0	50	-2.0	-100.98	391.67	9.73	-91.25
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013869861	0	51	-2.0	-96.77	417.38	3.50	-93.27
CC(C)(CCNC(=O)NCC1=CC=CC(Br)=C1[O-])C(=O)[O-]	REAL300013870000	1	38	-2.0	-92.31	337.90	3.96	-88.35
CCOC(=O)C1=N[N-]C(C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)=N1	REAL300013870025	1	52	-2.0	-93.84	418.47	6.86	-86.98
CC(C)(CCNC(=O)NCC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300013870041	0	38	-2.0	-88.15	349.75	4.32	-83.83
CC(C)(CCNC(=O)NNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300013870446	0	41	-2.0	-90.00	354.40	4.50	-85.50
CC1=CC=CC(C(=O)[N-]NC(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013870792	0	40	-2.0	-100.97	340.09	2.41	-98.56
CC(C)(CCNC(=O)N[N-]C(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300013870901	1	38	-2.0	-92.48	343.92	4.30	-88.18
CC(C)(CCNC(=O)N[N-]C(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300013871305	0	41	-2.0	-98.99	352.12	3.99	-95.00
CC(C)(CCNC(=O)N[N-]C(=O)C1=NC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300013872002	0	43	-2.0	-104.13	364.75	3.96	-100.17
CC(C)(CCNC(=O)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1)C(=O)[O-]	REAL300013872290	0	47	-2.0	-98.60	396.83	0.52	-98.08
CC1=C(C(=O)[N-]NC(=O)NCCC(C)(C)C(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300013872362	1	47	-2.0	-95.04	404.93	5.14	-89.90
CC(C)(CCNC(=O)N[N-]C(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300013872390	0	35	-2.0	-90.22	335.47	3.36	-86.86
CC(C)(CCNC(=O)N[N-]C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C(=O)[O-]	REAL300013872419	0	45	-3.0	-197.03	389.08	2.79	-194.24
CC(C)(CCNC(=O)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1)C(=O)[O-]	REAL300013872435	0	49	-2.0	-99.34	416.85	5.03	-94.31
CC1CC(C(=O)[O-])CN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013872608	0	43	-2.0	-98.06	332.46	7.11	-90.95
CC(C)(CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)[O-]	REAL300013872609	0	43	-2.0	-98.14	329.74	6.59	-91.55
CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1C(=O)[O-]	REAL300013872626	0	43	-2.0	-99.23	334.77	6.80	-92.43
CC(C)(CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)[O-]	REAL300013872628	0	44	-2.0	-97.08	341.33	3.97	-93.11
CCC(CC)(CNC(=O)NCCC(C)(C)C(=O)[O-])C(=O)[O-]	REAL300013872647	0	45	-2.0	-98.65	347.41	5.50	-93.15
CC(NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013872680	0	49	-2.0	-101.69	374.65	6.37	-95.32
CC(C)(CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(=O)[O-]	REAL300013872696	0	46	-2.0	-100.27	370.69	7.13	-93.14
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872718	1	47	-2.0	-88.99	372.78	4.19	-84.80
CC(C)(CCNC(=O)N1CCC(CCC(=O)[O-])CC1)C(=O)[O-]	REAL300013872773	0	46	-2.0	-97.24	356.34	7.73	-89.51
CC(C)(CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(=O)[O-]	REAL300013872774	0	42	-2.0	-93.15	333.21	4.56	-88.59
CC(C)(CCNC(=O)NCC1(C(=O)[O-])CCCC1)C(=O)[O-]	REAL300013872799	0	43	-2.0	-98.39	339.70	5.85	-92.54
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CCC1C(=O)[O-]	REAL300013872920	0	43	-2.0	-95.90	329.00	7.01	-88.89
C[C@@H]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013872969	1	47	-2.0	-95.29	378.54	4.13	-91.16
CC(C)(CCNC(=O)NCC(CC(=O)[O-])C1CC1)C(=O)[O-]	REAL300013872975	0	43	-2.0	-99.80	347.33	5.79	-94.01
CC(C)(CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)[O-]	REAL300013872997	0	43	-2.0	-98.14	329.74	6.59	-91.55
CC(C)C[C@H](CNC(=O)NCCC(C)(C)C(=O)[O-])CC(=O)[O-]	REAL300013873026	0	48	-2.0	-95.09	373.73	6.41	-88.68
CC(C)(CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C(=O)[O-]	REAL300013873055	0	40	-2.0	-105.97	332.62	6.00	-99.97
COCC1(C(=O)[O-])CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013873145	0	44	-2.0	-103.16	353.54	4.99	-98.17
CC(C)(CCNC(=O)NC1CCN(CC(=O)[O-])CC1)C(=O)[O-]	REAL300013873240	0	45	-2.0	-94.45	354.74	3.44	-91.01
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCC(C)(C)C(=O)[O-])C2)C=N1	REAL300013873263	0	50	-2.0	-109.73	393.83	7.75	-101.98
CC(C)(CCNC(=O)NCC1=NC2=C(COCC2)C(=O)[N-]1)C(=O)[O-]	REAL300013873301	1	44	-2.0	-91.23	358.56	0.77	-90.46
CC(C)(CCNC(=O)NCC1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300013873424	1	38	-2.0	-90.17	334.58	3.81	-86.36
CC(C)(CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300013873448	0	40	-2.0	-101.27	339.59	5.90	-95.37
COC(=O)C1CC2(C1)CN(C(=O)NCCC(C)(C)C(=O)[O-])CC2C(=O)[O-]	REAL300013873538	0	50	-2.0	-99.31	399.55	7.75	-91.56
CC(C)(CCNC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300013873677	1	41	-2.0	-89.81	350.08	4.08	-85.73
CC(C)(CCNC(=O)N1CCCCC1CCC(=O)[O-])C(=O)[O-]	REAL300013873784	0	46	-2.0	-108.12	349.69	7.68	-100.44
CC(C)(CCNC(=O)NCCCCCCCC(=O)[O-])C(=O)[O-]	REAL300013873846	0	48	-2.0	-96.10	387.23	6.93	-89.17
CC(C)(CCNC(=O)NCCCCCCC(=O)[O-])C(=O)[O-]	REAL300013873847	0	45	-2.0	-96.79	366.32	6.15	-90.64
CC(C)(CCNC(=O)N1CCCC(C)(C(=O)[O-])C1)C(=O)[O-]	REAL300013873874	0	43	-2.0	-98.13	331.15	7.05	-91.08
COCC1(C(=O)[O-])CCCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013873875	0	47	-2.0	-101.13	362.10	6.81	-94.32
COCCN(CCC(=O)[O-])C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873924	0	43	-2.0	-101.30	351.14	5.56	-95.74
CC(C)(CCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C(=O)[O-]	REAL300013874019	0	49	-2.0	-101.21	389.55	7.79	-93.42
CC(C)(CCNC(=O)N1CCCC(CCC(=O)[O-])C1)C(=O)[O-]	REAL300013874408	0	46	-2.0	-98.62	356.65	7.72	-90.90
CC(C)(CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C(=O)[O-]	REAL300013874409	0	44	-2.0	-109.12	349.09	8.78	-100.34
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CCO1	REAL300013874410	0	51	-2.0	-98.07	405.31	6.01	-92.06
CC(C)(CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(=O)[O-]	REAL300013874476	0	41	-2.0	-92.10	328.83	5.05	-87.05
CC1CCC(C(=O)[O-])CN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874487	0	43	-2.0	-98.80	332.94	6.90	-91.90
CC(C)(CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C(=O)[O-]	REAL300013874496	0	47	-2.0	-97.56	378.98	8.90	-88.66
CC(C)(CCNC(=O)N1CCCC(O)(C(=O)[O-])C1)C(=O)[O-]	REAL300013874505	0	41	-2.0	-96.87	325.32	3.84	-93.03
CC(C)(CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C(=O)[O-]	REAL300013874510	0	44	-2.0	-95.91	359.38	7.04	-88.87
CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1[N-]C(=O)C(F)(F)F	REAL300013874546	1	47	-2.0	-93.39	380.05	3.75	-89.64
CC(C)(CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C(=O)[O-]	REAL300013874563	0	47	-2.0	-119.25	367.90	6.13	-113.12
CC(C)(CCNC(=O)N1CCC(C)([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013874565	1	44	-2.0	-90.47	365.01	2.57	-87.90
C[C@@H]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013874566	1	47	-2.0	-95.29	378.54	4.13	-91.16
CC(C)(CCNC(=O)NCC1=CC=CC(Cl)=C1[O-])C(=O)[O-]	REAL300013874661	1	38	-2.0	-93.33	333.51	3.84	-89.49
COCC1(C(=O)[O-])CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013874715	0	47	-2.0	-100.57	361.11	5.70	-94.87
CC(C)(CCNC(=O)NCC1(CC(=O)[O-])CCCCC1)C(=O)[O-]	REAL300013874783	0	49	-2.0	-94.20	362.94	6.59	-87.61
CC(C)(CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C(=O)[O-]	REAL300013874845	0	43	-2.0	-98.60	335.89	5.97	-92.63
CC(C)(CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C(=O)[O-]	REAL300013874861	0	46	-2.0	-97.13	360.08	6.26	-90.87
CC(C)(CCNC(=O)N1CCC(CC(=O)[O-])CC1)C(=O)[O-]	REAL300013874870	0	43	-2.0	-95.09	334.03	6.95	-88.14
CC(C)(CCNC(=O)N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1)C(=O)[O-]	REAL300013874954	0	42	-2.0	-91.44	348.95	4.09	-87.35
CC(C)(CCNC(=O)N1CCC(OCC(=O)[O-])CC1)C(=O)[O-]	REAL300013875035	0	44	-2.0	-98.81	350.57	6.37	-92.44
CC(C)(CCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)[O-]	REAL300013875072	0	43	-2.0	-95.72	342.21	5.60	-90.12
CC(C)(CCNC(=O)NC1CCCC(C(=O)[O-])C1)C(=O)[O-]	REAL300013875078	0	43	-2.0	-95.34	341.69	5.59	-89.75
CC(C)(CCNC(=O)NCC1(C(=O)[O-])CCCOC1)C(=O)[O-]	REAL300013875135	0	44	-2.0	-101.15	346.45	4.44	-96.71
CC(C)(CCNC(=O)NCC1(C(=O)[O-])CCOC1)C(=O)[O-]	REAL300013875171	0	41	-2.0	-96.55	328.39	3.13	-93.42
CC(C)(CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C(=O)[O-]	REAL300013875321	0	52	-2.0	-95.71	414.27	8.27	-87.44
CC(C)(CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C(=O)[O-]	REAL300013875448	0	44	-2.0	-95.63	344.72	7.11	-88.52
CC(C)(CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C(=O)[O-]	REAL300013875501	0	40	-2.0	-92.73	335.73	6.12	-86.61
CC(C)(CCNC(=O)N1CCOC(C)(C(=O)[O-])C1)C(=O)[O-]	REAL300013875512	0	41	-2.0	-98.02	324.19	5.53	-92.49
CC1=NN(C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C(=O)[N-]1	REAL300013875601	1	47	-2.0	-94.94	372.41	4.40	-90.54
COC1CC(C(=O)[O-])CN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013875724	0	44	-2.0	-100.54	346.79	5.37	-95.17
CC(C)(CCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C(=O)[O-]	REAL300013875762	0	49	-2.0	-101.12	394.84	4.84	-96.28
CCC(CC)(CNC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300013876319	1	47	-2.0	-102.41	377.78	2.61	-99.80
CCC(CC)(CNC(=O)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300013876794	0	41	-2.0	-112.51	367.98	5.14	-107.37
CCC(CC)(CNC(=O)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1)C(=O)[O-]	REAL300013877064	1	53	-2.0	-94.82	407.40	7.88	-86.94
CCC(CC)(CNC(=O)N[N-]C(=O)C1=NNC(C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300013877078	1	51	-2.0	-115.44	411.03	5.17	-110.27
CCC(CC)(CNC(=O)N1CCC(C(=O)[N-]C2=NN=CS2)CC1)C(=O)[O-]	REAL300013877242	0	49	-2.0	-94.64	387.86	4.94	-89.70
CCC(CC)(CNC(=O)N[N-]C(=O)C1=CC=C(C)O1)C(=O)[O-]	REAL300013877480	0	41	-2.0	-111.97	339.28	3.22	-108.75
CCC(CC)(CNC(=O)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1)C(=O)[O-]	REAL300013878277	0	45	-2.0	-107.56	370.81	5.29	-102.27
CCC(CC)(CNC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300013878480	0	43	-2.0	-95.54	323.14	7.25	-88.29
CCC(CC)(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C(=O)[O-]	REAL300013878481	0	43	-2.0	-97.68	347.18	6.87	-90.81
CCC(CC)(CNC(=O)N1CCOC(C(=O)[O-])C1)C(=O)[O-]	REAL300013878482	0	41	-2.0	-98.99	316.27	5.70	-93.29
CCC(CC)(CNC(=O)NC1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300013878483	0	46	-2.0	-99.76	345.39	7.00	-92.76
CCC(CC)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300013878484	0	43	-2.0	-99.80	349.24	7.03	-92.77
CCC(CC)(CNC(=O)NCCCCCC(=O)[O-])C(=O)[O-]	REAL300013878485	0	45	-2.0	-98.37	357.13	6.17	-92.20
CCC(CC)(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C(=O)[O-]	REAL300013878486	0	53	-2.0	-103.33	403.98	10.53	-92.80
CCC(CC)(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C(=O)[O-]	REAL300013878487	0	43	-2.0	-97.44	332.81	6.98	-90.46
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)NCC(CC)(CC)C(=O)[O-])S1	REAL300013878844	0	54	-2.0	-98.67	427.03	4.63	-94.04
CCC(CC)(CNC(=O)NCC1=CC=CC(Br)=C1[O-])C(=O)[O-]	REAL300013878991	1	41	-2.0	-95.90	347.55	5.09	-90.81
CCOC(=O)C1=N[N-]C(C2CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC2)=N1	REAL300013879018	1	55	-2.0	-102.90	430.78	7.66	-95.24
CCC(CC)(CNC(=O)NCC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300013879036	0	41	-2.0	-99.26	359.99	5.45	-93.81
CCC(CC)(CNC(=O)NNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300013879462	0	44	-2.0	-93.03	362.59	5.47	-87.56
CCC(CC)(CNC(=O)N[N-]C(=O)C1=CC=CC(C)=N1)C(=O)[O-]	REAL300013879839	0	43	-2.0	-116.90	349.74	3.54	-113.36
CCC(CC)(CNC(=O)N[N-]C(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300013879949	1	41	-2.0	-105.07	356.22	5.10	-99.97
CCC(CC)(CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(=O)[O-]	REAL300013880271	1	50	-2.0	-93.05	397.42	4.52	-88.53
CCC(CC)(CNC(=O)N[N-]C(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300013880380	0	44	-2.0	-115.40	364.43	4.79	-110.61
CCC(CC)(CNC(=O)N[N-]C(=O)C1=NC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300013881093	0	46	-2.0	-121.80	374.41	5.10	-116.70
CCC(CC)(CNC(=O)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1)C(=O)[O-]	REAL300013881374	0	50	-2.0	-114.60	409.72	1.32	-113.28
CCC(CC)(CNC(=O)N[N-]C(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300013881472	0	38	-2.0	-103.34	347.77	4.16	-99.18
CCC(CC)(CNC(=O)N[N-]C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C(=O)[O-]	REAL300013881503	0	48	-3.0	-222.35	401.39	3.59	-218.76
CCC(CC)(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)C(=O)[O-]	REAL300013881697	0	46	-2.0	-112.12	344.76	7.90	-104.22
CCC(CC)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)[O-]	REAL300013881699	0	46	-2.0	-108.09	342.02	7.39	-100.70
CCC(CC)(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)C(=O)[O-]	REAL300013881717	0	46	-2.0	-100.47	343.47	7.91	-92.56
CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)[O-]	REAL300013881718	0	47	-2.0	-110.40	354.22	4.77	-105.63
CCC(CC)(CNC(=O)NCCC(C)(C)C(=O)[O-])C(=O)[O-]	REAL300013881737	0	45	-2.0	-98.65	347.41	5.50	-93.15
CCC(CC)(CNC(=O)NCC(CC)(CC)C(=O)[O-])C(=O)[O-]	REAL300013881741	0	48	-2.0	-110.15	352.37	6.79	-103.36
CCC(CC)(CNC(=O)NCC(C(=O)[O-])C(C)C)C(=O)[O-]	REAL300013881782	0	45	-2.0	-102.32	343.36	5.91	-96.41
CCC(CC)(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(=O)[O-]	REAL300013881783	0	52	-2.0	-108.28	386.96	7.17	-101.11
CCC(CC)(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(=O)[O-]	REAL300013881797	0	49	-2.0	-110.22	374.16	8.20	-102.02
CCC(CC)(CNC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C)C(=O)[O-]	REAL300013881821	0	50	-2.0	-90.62	384.97	5.04	-85.58
CCC(CC)(CNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(=O)[O-]	REAL300013881821	1	50	-2.0	-90.62	384.97	5.04	-85.58
CCC(CC)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)[O-]	REAL300013881857	0	43	-2.0	-101.23	335.55	5.86	-95.37
CCC(CC)(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C(=O)[O-]	REAL300013881883	0	49	-2.0	-96.63	364.46	8.82	-87.81
CCC(CC)(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(=O)[O-]	REAL300013881884	0	45	-2.0	-96.76	343.34	5.69	-91.07
CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CCCC1)C(=O)[O-]	REAL300013881907	0	46	-2.0	-104.07	352.59	6.66	-97.41
CCC(CC)(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)C(=O)[O-]	REAL300013882047	0	46	-2.0	-95.32	337.11	8.10	-87.22
CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CCC1)C(=O)[O-]	REAL300013882095	0	43	-2.0	-108.76	330.81	5.97	-102.79
CCC(CC)(CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013882100	1	50	-2.0	-97.22	387.27	5.24	-91.98
CCC(CC)(CNC(=O)NCC(CC(=O)[O-])C1CC1)C(=O)[O-]	REAL300013882106	0	46	-2.0	-107.71	359.64	6.58	-101.13
CCC(CC)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)[O-]	REAL300013882133	0	46	-2.0	-108.09	342.02	7.39	-100.70
CCC(CC)(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[O-]	REAL300013882164	0	51	-2.0	-97.08	381.33	7.38	-89.70
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C(=O)[O-]	REAL300013882197	0	43	-2.0	-122.20	345.51	6.81	-115.39
CCC(CC)(CNC(=O)N1CCC(COC)(C(=O)[O-])C1)C(=O)[O-]	REAL300013882301	0	47	-2.0	-103.10	361.15	5.95	-97.15
CCC(CC)(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C(=O)[O-]	REAL300013882406	0	48	-2.0	-96.97	367.64	4.25	-92.72
CCC(CC)(CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)C(=O)[O-]	REAL300013882433	0	53	-2.0	-126.36	402.90	8.88	-117.48
CCC(CC)(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[O-]	REAL300013882434	0	43	-2.0	-106.42	324.96	7.37	-99.05
CCC(CC)(CNC(=O)NCC1=NC2=C(COCC2)C(=O)[N-]1)C(=O)[O-]	REAL300013882472	1	47	-2.0	-95.97	370.86	1.57	-94.40
CCC(CC)(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[O-]	REAL300013882477	0	43	-2.0	-99.78	325.49	7.40	-92.38
CCC(CC)(CNC(=O)NCC1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300013882595	1	41	-2.0	-92.17	344.24	4.94	-87.23
CCC(CC)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300013882618	0	43	-2.0	-99.80	349.24	7.03	-92.77
CCC(CC)(CNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1)C(=O)[O-]	REAL300013882716	0	53	-2.0	-107.13	412.43	8.58	-98.55
CCC(CC)(CNC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300013882872	1	44	-2.0	-91.93	362.97	4.88	-87.05
CCC(CC)(CNC(=O)N1CCCCC1CCC(=O)[O-])C(=O)[O-]	REAL300013882986	0	49	-2.0	-113.92	362.52	8.48	-105.44
CCC(CC)(CNC(=O)NCCCCCCCC(=O)[O-])C(=O)[O-]	REAL300013883056	0	51	-2.0	-97.83	400.12	7.74	-90.09
CCC(CC)(CNC(=O)NCCCCCCC(=O)[O-])C(=O)[O-]	REAL300013883057	0	48	-2.0	-96.79	375.97	7.28	-89.51
CCC(CC)(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C(=O)[O-]	REAL300013883086	0	46	-2.0	-99.66	338.76	8.01	-91.65
CCC(CC)(CNC(=O)N1CCCC(COC)(C(=O)[O-])C1)C(=O)[O-]	REAL300013883087	0	50	-2.0	-105.22	375.64	7.00	-98.22
CCC(CC)(CNC(=O)N(CCOC)CCC(=O)[O-])C(=O)[O-]	REAL300013883143	0	46	-2.0	-117.61	363.44	6.35	-111.26
CCC(CC)(CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C(=O)[O-]	REAL300013883252	0	52	-2.0	-102.56	397.16	8.75	-93.81
CCC(CC)(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C(=O)[O-]	REAL300013883691	0	49	-2.0	-100.06	364.25	8.69	-91.37
CCC(CC)(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C(=O)[O-]	REAL300013883692	0	47	-2.0	-123.37	361.24	9.85	-113.52
CCC(CC)(CNC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1)C(=O)[O-]	REAL300013883693	0	54	-2.0	-98.68	416.73	7.73	-90.95
CCC(CC)(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(=O)[O-]	REAL300013883770	0	44	-2.0	-91.94	336.38	6.01	-85.93
CCC(CC)(CNC(=O)N1CC(C(=O)[O-])CCC1C)C(=O)[O-]	REAL300013883782	0	46	-2.0	-106.53	339.14	7.85	-98.68
CCC(CC)(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C(=O)[O-]	REAL300013883792	0	50	-2.0	-103.83	386.60	9.86	-93.97
CCC(CC)(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C(=O)[O-]	REAL300013883803	0	44	-2.0	-99.10	338.25	4.67	-94.43
CCC(CC)(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C(=O)[O-]	REAL300013883810	0	47	-2.0	-98.90	370.08	8.17	-90.73
CCC(CC)(CNC(=O)N1CCC(C)C([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013883847	1	50	-2.0	-97.35	392.94	4.55	-92.80
CCC(CC)(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C(=O)[O-]	REAL300013883871	0	50	-2.0	-117.02	380.21	6.93	-110.09
CCC(CC)(CNC(=O)N1CCC(C)([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013883873	1	47	-2.0	-100.59	372.62	3.53	-97.06
CCC(CC)(CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013883874	1	50	-2.0	-97.22	387.27	5.24	-91.98
CCC(CC)(CNC(=O)NCC1=CC=CC(Cl)=C1[O-])C(=O)[O-]	REAL300013883977	1	41	-2.0	-96.80	343.16	4.97	-91.83
CCC(CC)(CNC(=O)N1CCC(COC)(C(=O)[O-])CC1)C(=O)[O-]	REAL300013884035	0	50	-2.0	-110.76	373.42	6.51	-104.25
CCC(CC)(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C(=O)[O-]	REAL300013884111	0	52	-2.0	-95.80	370.54	7.55	-88.25
CCC(CC)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C(=O)[O-]	REAL300013884177	0	46	-2.0	-110.56	350.09	6.82	-103.74
CCC(CC)(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C(=O)[O-]	REAL300013884197	0	49	-2.0	-100.35	374.27	7.11	-93.24
CCC(CC)(CNC(=O)N1CCC(CC(=O)[O-])CC1)C(=O)[O-]	REAL300013884207	0	46	-2.0	-99.04	346.33	7.75	-91.29
CCC(CC)(CNC(=O)N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1)C(=O)[O-]	REAL300013884300	0	45	-2.0	-96.73	357.89	5.20	-91.53
CCC(CC)(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C(=O)[O-]	REAL300013884394	0	47	-2.0	-96.30	358.20	7.33	-88.97
CCC(CC)(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)[O-]	REAL300013884435	0	46	-2.0	-99.07	349.28	6.55	-92.52
CCC(CC)(CNC(=O)NC1CCCC(C(=O)[O-])C1)C(=O)[O-]	REAL300013884443	0	46	-2.0	-100.99	354.00	6.39	-94.60
CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C(=O)[O-]	REAL300013884503	0	47	-2.0	-114.55	359.34	5.24	-109.31
CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CCOC1)C(=O)[O-]	REAL300013884539	0	44	-2.0	-99.92	336.57	4.10	-95.82
CCC(CC)(CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C(=O)[O-]	REAL300013884719	0	55	-2.0	-95.60	424.51	9.45	-86.15
CCC(CC)(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C(=O)[O-]	REAL300013884855	0	47	-2.0	-104.01	357.61	7.93	-96.08
CCC(CC)(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C(=O)[O-]	REAL300013884923	0	43	-2.0	-93.86	346.45	7.26	-86.60
CCC(CC)(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C(=O)[O-]	REAL300013884934	0	44	-2.0	-100.84	336.50	6.34	-94.50
CCC(CC)(CNC(=O)N1CCC(N2N=C(C)[N-]C2=O)CC1)C(=O)[O-]	REAL300013885033	1	50	-2.0	-101.38	385.30	5.20	-96.18
CCC(CC)(CNC(=O)N1CC(OC)CC(C(=O)[O-])C1)C(=O)[O-]	REAL300013885165	0	47	-2.0	-110.91	359.68	6.17	-104.74
CCC(CC)(CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C(=O)[O-]	REAL300013885207	0	52	-2.0	-97.18	402.44	5.80	-91.38
CC(CNC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300013887374	1	38	-2.0	-102.94	333.06	0.71	-102.23
CC(CNC(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300013887738	1	46	-2.0	-100.12	401.34	4.38	-95.74
CC(CNC(=O)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300013887819	0	32	-2.0	-100.11	318.56	3.39	-96.72
CC(CNC(=O)N[N-]C(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300013887878	1	32	-2.0	-93.87	309.08	3.47	-90.40
CC(CNC(=O)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1)C(=O)[O-]	REAL300013888032	1	44	-2.0	-97.30	357.98	6.13	-91.17
CC1=CC=C(C2=CC(C(=O)[N-]NC(=O)NCC(C)C(=O)[O-])=NN2)C=C1	REAL300013888042	1	42	-2.0	-102.18	366.32	3.28	-98.90
CC(CNC(=O)N1CCC(C(=O)[N-]C2=NN=CS2)CC1)C(=O)[O-]	REAL300013888201	0	40	-2.0	-98.04	343.15	3.03	-95.01
CC(CNC(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1)C(=O)[O-]	REAL300013888441	1	49	-2.0	-85.81	399.14	2.91	-82.90
CC(CNC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1)C(=O)[O-]	REAL300013888555	0	44	-2.0	-86.73	382.83	0.39	-86.34
CC(CNC(=O)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1)C(=O)[O-]	REAL300013888908	0	36	-2.0	-95.35	326.10	3.39	-91.96
CC(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C(=O)[O-]	REAL300013889071	0	44	-2.0	-101.71	354.57	8.80	-92.91
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)NCC(C)C(=O)[O-])S1	REAL300013889353	0	45	-2.0	-101.48	380.27	2.56	-98.92
CC(CNC(=O)NCC1=CC=CC(Br)=C1[O-])C(=O)[O-]	REAL300013889458	1	32	-2.0	-94.35	300.78	3.01	-91.34
CCOC(=O)C1=NC(C2CCN(C(=O)NCC(C)C(=O)[O-])CC2)=N[N-]1	REAL300013889472	1	46	-2.0	-96.22	382.25	5.91	-90.31
CCOC(=O)C1=N[N-]C(C2CCN(C(=O)NCC(C)C(=O)[O-])CC2)=N1	REAL300013889472	1	46	-2.0	-96.41	382.26	5.93	-90.48
CC(CNC(=O)NCC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300013889485	0	32	-2.0	-91.04	314.10	3.40	-87.64
CCOC(=O)C1=N[N-]C(C2=CC=CC(CNC(=O)NCC(C)C(=O)[O-])=C2)=N1	REAL300013889761	1	46	-2.0	-96.84	404.31	5.85	-90.99
CC(CNC(=O)NNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300013889798	0	35	-2.0	-89.16	319.56	3.60	-85.56
CC(CNC(=O)N[N-]C(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300013890135	1	32	-2.0	-95.42	307.68	3.38	-92.04
CC(CNC(=O)N[N-]C(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300013890455	0	35	-2.0	-99.92	315.88	3.06	-96.86
CC(CNC(=O)N[N-]C(=O)C1=NC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300013891008	0	37	-2.0	-105.09	328.51	3.04	-102.05
CC(CNC(=O)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1)C(=O)[O-]	REAL300013891260	0	41	-2.0	-100.06	361.17	-0.40	-100.46
CC1=C(C(=O)[N-]NC(=O)NCC(C)C(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300013891318	1	41	-2.0	-97.21	369.27	4.22	-92.99
CC(CNC(=O)N[N-]C(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300013891345	0	29	-2.0	-92.29	300.04	2.47	-89.82
CC(CNC(=O)N[N-]C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C(=O)[O-]	REAL300013891367	0	39	-3.0	-196.87	351.97	1.86	-195.01
CC(CNC(=O)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1)C(=O)[O-]	REAL300013891379	0	43	-2.0	-100.43	380.61	4.11	-96.32
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(=O)[O-]	REAL300013891580	0	43	-2.0	-105.63	340.76	5.89	-99.74
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(=O)[O-]	REAL300013891589	0	40	-2.0	-98.79	330.32	6.32	-92.47
CC(CNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(=O)[O-]	REAL300013891602	1	41	-2.0	-94.07	335.73	3.24	-90.83
CC(CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013891763	1	41	-2.0	-102.98	342.89	3.22	-99.76
CC(CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)C(=O)[O-]	REAL300013891978	0	44	-2.0	-117.10	357.59	6.83	-110.27
CC(CNC(=O)NCC1=NC2=C(COCC2)C(=O)[N-]1)C(=O)[O-]	REAL300013892002	1	38	-2.0	-94.06	322.32	-0.15	-94.21
COC(=O)C1CC2(C1)CN(C(=O)NCC(C)C(=O)[O-])CC2C(=O)[O-]	REAL300013892171	0	44	-2.0	-98.50	364.70	6.88	-91.62
CC(CNC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300013892263	1	35	-2.0	-93.77	314.43	3.16	-90.61
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)C(=O)[O-])C1	REAL300013892394	0	41	-2.0	-106.56	326.45	5.89	-100.67
CC(CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C(=O)[O-]	REAL300013892491	0	43	-2.0	-105.22	353.32	6.86	-98.36
CC(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C(=O)[O-]	REAL300013892718	0	38	-2.0	-118.20	311.82	8.11	-110.09
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C)C(=O)[O-])CCO1	REAL300013892719	0	45	-2.0	-99.54	369.64	5.09	-94.45
CC(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C(=O)[O-]	REAL300013892773	0	41	-2.0	-96.00	341.35	7.86	-88.14
CC(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C(=O)[O-]	REAL300013892786	0	38	-2.0	-97.60	323.72	6.13	-91.47
CC(CNC(=O)N1CCC(C)C([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013892809	1	41	-2.0	-100.79	345.21	2.86	-97.93
CC(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C(=O)[O-]	REAL300013892825	0	41	-2.0	-127.89	330.79	5.19	-122.70
CC(CNC(=O)N1CCC(C)([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013892827	1	38	-2.0	-95.02	327.90	1.62	-93.40
CC(CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013892828	1	41	-2.0	-102.98	342.89	3.22	-99.76
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013892936	0	41	-2.0	-101.47	324.87	4.78	-96.69
CC(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C(=O)[O-]	REAL300013892977	0	43	-2.0	-94.79	326.70	5.66	-89.13
CC(C)C(CNC(=O)NCCNC(=O)C1=NC=CC=C1[O-])C(=O)[O-]	REAL300013894063	1	44	-2.0	-102.84	366.42	2.06	-100.78
CC(C)C(CNC(=O)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300013894555	0	38	-2.0	-110.41	351.91	4.74	-105.67
CC(C)C(CNC(=O)N[N-]C(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300013894635	1	38	-2.0	-105.49	347.82	4.66	-100.83
CC(C)C(CNC(=O)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1)C(=O)[O-]	REAL300013894811	1	50	-2.0	-95.02	397.60	7.33	-87.69
CC1=CC=C(C2=CC(C(=O)[N-]NC(=O)NCC(C(=O)[O-])C(C)C)=NN2)C=C1	REAL300013894827	1	48	-2.0	-115.40	405.93	4.48	-110.92
CC(C)C(CNC(=O)N1CCC(C(=O)[N-]C2=NN=CS2)CC1)C(=O)[O-]	REAL300013895004	0	46	-2.0	-94.66	377.51	4.35	-90.31
CC(C)C(CNC(=O)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1)C(=O)[O-]	REAL300013895948	0	42	-2.0	-107.83	365.71	4.60	-103.23
CC(C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C(=O)[O-]	REAL300013896146	0	40	-2.0	-100.31	342.09	6.18	-94.13
CC(C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300013896147	0	43	-2.0	-109.13	340.29	6.30	-102.83
CC(C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300013896148	0	40	-2.0	-99.84	335.83	6.30	-93.54
CC(C)C(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C(=O)[O-]	REAL300013896149	0	50	-2.0	-107.29	394.19	10.00	-97.29
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300013896493	0	51	-2.0	-100.15	419.88	3.76	-96.39
CC(C)C(CNC(=O)NCC1=CC=CC(Br)=C1[O-])C(=O)[O-]	REAL300013896632	1	38	-2.0	-95.40	334.14	4.36	-91.04
CCOC(=O)C1=N[N-]C(C2CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)=N1	REAL300013896657	1	52	-2.0	-92.70	415.75	7.23	-85.47
CC(C)C(CNC(=O)NCC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300013896673	0	38	-2.0	-98.38	346.58	4.73	-93.65
CC(C)C(CNC(=O)NNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300013897078	0	41	-2.0	-92.42	352.24	4.88	-87.54
CC1=CC=CC(C(=O)[N-]NC(=O)NCC(C(=O)[O-])C(C)C)=N1	REAL300013897424	0	40	-2.0	-116.00	342.59	2.67	-113.33
CC(C)C(CNC(=O)N[N-]C(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300013897533	1	38	-2.0	-102.57	341.16	4.68	-97.89
CC(C)C(CNC(=O)N[N-]C(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300013897937	0	41	-2.0	-111.62	349.37	4.36	-107.26
CC(C)C(CNC(=O)N[N-]C(=O)C1=NC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300013898634	0	43	-2.0	-118.57	362.00	4.34	-114.23
CC(C)C(CNC(=O)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1)C(=O)[O-]	REAL300013898922	0	47	-2.0	-112.21	394.65	0.90	-111.31
CC1=C(C(=O)[N-]NC(=O)NCC(C(=O)[O-])C(C)C)SC(C2=CC=CC=C2)=N1	REAL300013898994	1	47	-2.0	-108.40	408.01	5.42	-102.98
CC(C)C(CNC(=O)N[N-]C(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300013899022	0	35	-2.0	-100.66	332.71	3.73	-96.93
CC(C)C(CNC(=O)N[N-]C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C(=O)[O-]	REAL300013899051	0	45	-3.0	-217.40	386.33	3.16	-214.24
CC(C)C(CNC(=O)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1)C(=O)[O-]	REAL300013899067	0	49	-2.0	-111.06	414.10	5.40	-105.66
CC(C)C(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)C(=O)[O-]	REAL300013899240	0	43	-2.0	-100.06	328.30	7.49	-92.57
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)[O-]	REAL300013899241	0	43	-2.0	-98.98	332.22	6.84	-92.14
CC(C)C(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)C(=O)[O-]	REAL300013899258	0	43	-2.0	-104.44	332.59	7.20	-97.24
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C(=O)[O-]	REAL300013899260	0	44	-2.0	-99.94	338.15	4.37	-95.57
CCC(CC)(CNC(=O)NCC(C(=O)[O-])C(C)C)C(=O)[O-]	REAL300013899279	0	45	-2.0	-102.32	343.36	5.91	-96.41
CC(C)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(=O)[O-]	REAL300013899312	0	49	-2.0	-106.52	375.13	7.21	-99.31
CC(C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(=O)[O-]	REAL300013899328	0	46	-2.0	-102.71	362.79	7.64	-95.07
CC(C)C(CNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)C(=O)[O-]	REAL300013899350	1	47	-2.0	-90.63	375.33	4.44	-86.19
CC(C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C(=O)[O-]	REAL300013899405	0	46	-2.0	-95.54	353.59	8.11	-87.43
CC(C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(=O)[O-]	REAL300013899406	0	42	-2.0	-112.70	330.18	4.85	-107.85
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C(=O)[O-]	REAL300013899431	0	43	-2.0	-102.02	336.52	6.26	-95.76
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)C(=O)[O-]	REAL300013899552	0	43	-2.0	-95.18	326.15	7.38	-87.80
CC(C)C(CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013899601	1	47	-2.0	-97.56	374.98	4.52	-93.04
CC(C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C(=O)[O-]	REAL300013899607	0	43	-2.0	-100.14	344.58	6.16	-93.98
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(=O)[O-]	REAL300013899629	0	43	-2.0	-98.98	332.22	6.84	-92.14
CC(C)C[C@H](CNC(=O)NCC(C(=O)[O-])C(C)C)CC(=O)[O-]	REAL300013899658	0	48	-2.0	-101.07	365.55	6.61	-94.46
CC(C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C(=O)[O-]	REAL300013899687	0	40	-2.0	-107.75	329.44	6.41	-101.34
COCC1(C(=O)[O-])CCN(C(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013899777	0	44	-2.0	-113.46	349.78	5.38	-108.08
CC(C)C(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C(=O)[O-]	REAL300013899872	0	45	-2.0	-95.55	351.57	3.86	-91.69
CC(C)C(CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)C(=O)[O-]	REAL300013899895	0	50	-2.0	-110.82	391.08	8.14	-102.68
CC(C)C(CNC(=O)NCC1=NC2=C(COCC2)C(=O)[N-]1)C(=O)[O-]	REAL300013899933	1	44	-2.0	-94.52	354.79	1.18	-93.34
CC(C)C(CNC(=O)NCC1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300013900056	1	38	-2.0	-93.69	337.09	4.08	-89.61
CC(C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300013900080	0	40	-2.0	-99.84	335.83	6.30	-93.54
COC(=O)C1CC2(C1)CN(C(=O)NCC(C(=O)[O-])C(C)C)CC2C(=O)[O-]	REAL300013900170	0	50	-2.0	-101.48	391.48	7.99	-93.49
CC(C)C(CNC(=O)NCCC1=C(F)C=C([O-])C=C1F)C(=O)[O-]	REAL300013900309	1	41	-2.0	-92.14	353.16	4.36	-87.78
CC(C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])C(=O)[O-]	REAL300013900416	0	46	-2.0	-113.08	346.93	8.06	-105.02
CC(C)C(CNC(=O)NCCCCCCCC(=O)[O-])C(=O)[O-]	REAL300013900478	0	48	-2.0	-98.07	390.32	7.21	-90.86
CC(C)C(CNC(=O)NCCCCCCC(=O)[O-])C(=O)[O-]	REAL300013900479	0	45	-2.0	-96.76	362.26	6.58	-90.18
CC(C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C(=O)[O-]	REAL300013900506	0	43	-2.0	-101.31	333.65	7.30	-94.01
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013900507	0	47	-2.0	-104.78	365.84	6.45	-98.33
COCCN(CCC(=O)[O-])C(=O)NCC(C(=O)[O-])C(C)C	REAL300013900556	0	43	-2.0	-111.12	353.65	5.82	-105.30
CC(C)C(CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C(=O)[O-]	REAL300013900651	0	49	-2.0	-107.45	392.05	8.05	-99.40
CC(C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C(=O)[O-]	REAL300013901040	0	46	-2.0	-99.44	353.93	8.11	-91.33
CC(C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C(=O)[O-]	REAL300013901041	0	44	-2.0	-110.14	346.91	9.18	-100.96
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C(=O)[O-])C(C)C)CCO1	REAL300013901042	0	51	-2.0	-100.67	408.44	6.27	-94.40
CC(C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(=O)[O-]	REAL300013901108	0	41	-2.0	-95.10	331.33	5.30	-89.80
CC(C)C(CNC(=O)N1CC(C(=O)[O-])CCC1C)C(=O)[O-]	REAL300013901119	0	43	-2.0	-111.65	335.44	7.15	-104.50
CC(C)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C(=O)[O-]	REAL300013901128	0	47	-2.0	-103.65	374.93	9.31	-94.34
CC(C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C(=O)[O-]	REAL300013901137	0	41	-2.0	-101.93	328.45	4.11	-97.82
CC(C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C(=O)[O-]	REAL300013901142	0	44	-2.0	-98.14	356.00	7.46	-90.68
CC(C)C(CNC(=O)N1CCC(C)C([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013901178	1	47	-2.0	-100.28	383.14	4.01	-96.27
CC(C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C(=O)[O-]	REAL300013901195	0	47	-2.0	-133.91	365.15	6.50	-127.41
CC(C)C(CNC(=O)N1CCC(C)([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013901197	1	44	-2.0	-99.99	362.26	2.94	-97.05
CC(C)C(CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)C(=O)[O-]	REAL300013901198	1	47	-2.0	-97.56	374.98	4.52	-93.04
CC(C)C(CNC(=O)NCC1=CC=CC(Cl)=C1[O-])C(=O)[O-]	REAL300013901293	1	38	-2.0	-96.37	329.75	4.25	-92.12
COCC1(C(=O)[O-])CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013901347	0	47	-2.0	-110.17	363.61	5.95	-104.22
CC(C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C(=O)[O-]	REAL300013901415	0	49	-2.0	-101.56	365.44	6.86	-94.70
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C(=O)[O-]	REAL300013901477	0	43	-2.0	-99.70	332.71	6.39	-93.31
CC(C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C(=O)[O-]	REAL300013901493	0	46	-2.0	-99.86	364.47	6.59	-93.27
CC(C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C(=O)[O-]	REAL300013901502	0	43	-2.0	-97.13	336.53	7.21	-89.92
CC(C)C(CNC(=O)N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1)C(=O)[O-]	REAL300013901586	0	42	-2.0	-96.02	344.02	4.49	-91.53
CC(C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C(=O)[O-]	REAL300013901667	0	44	-2.0	-98.95	353.10	6.62	-92.33
CC(C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)[O-]	REAL300013901704	0	43	-2.0	-97.72	344.18	5.86	-91.86
CC(C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C(=O)[O-]	REAL300013901710	0	43	-2.0	-95.95	337.94	5.99	-89.96
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C(=O)[O-]	REAL300013901767	0	44	-2.0	-103.01	346.66	4.43	-98.58
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C(=O)[O-]	REAL300013901803	0	41	-2.0	-107.77	325.21	3.54	-104.23
CC(C)C(CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C(=O)[O-]	REAL300013901953	0	52	-2.0	-95.62	411.09	8.69	-86.93
CC(C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C(=O)[O-]	REAL300013902080	0	44	-2.0	-103.06	347.80	7.39	-95.67
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C(=O)[O-]	REAL300013902133	0	40	-2.0	-99.75	333.57	6.50	-93.25
CC(C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C(=O)[O-]	REAL300013902144	0	41	-2.0	-99.55	319.26	5.93	-93.62
CC1=NN(C2CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)C(=O)[N-]1	REAL300013902233	1	47	-2.0	-97.04	375.49	4.67	-92.37
COC1CC(C(=O)[O-])CN(C(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013902356	0	44	-2.0	-106.31	344.62	5.76	-100.55
CC(C)C(CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C(=O)[O-]	REAL300013902394	0	49	-2.0	-102.37	397.31	5.11	-97.26
CC(NC(=O)NCCNC(=O)C1=NC=CC=C1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902897	1	51	-2.0	-108.18	409.73	3.33	-104.85
CC1=CC=C(C(=O)[N-]NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)O1	REAL300013903830	0	45	-2.0	-102.56	366.97	4.12	-98.44
CC(NC(=O)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904604	0	49	-2.0	-100.06	404.99	6.62	-93.44
CC(NC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904808	0	47	-2.0	-105.27	358.49	8.12	-97.15
CC(NC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904809	0	47	-2.0	-103.40	378.65	7.59	-95.81
CC(NC(=O)N1CCOC(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904810	0	45	-2.0	-100.14	350.48	6.61	-93.53
CC(NC(=O)NC1CCC(C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904811	0	50	-2.0	-106.94	385.78	7.80	-99.14
CC(NC(=O)NCCCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904812	0	46	-2.0	-105.21	362.39	6.26	-98.95
CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904813	0	47	-2.0	-111.41	382.32	8.05	-103.36
CC(NC(=O)NCCCCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904814	0	49	-2.0	-103.28	384.37	7.05	-96.23
CC(NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904815	0	46	-2.0	-107.26	354.83	6.14	-101.12
CC(NC(=O)N1CCC(C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904816	0	47	-2.0	-116.87	363.09	8.10	-108.77
CC(NC(=O)NCC1=CC=CC(Br)=C1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905253	1	45	-2.0	-96.10	377.51	5.61	-90.49
CC(NC(=O)NCC1=CC(Cl)=CC(Cl)=C1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905292	0	45	-2.0	-98.95	389.74	6.01	-92.94
CC(NC(=O)NNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905674	0	48	-2.0	-94.14	397.72	6.63	-87.51
CC1=CC=CC(C(=O)[N-]NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013906012	0	47	-2.0	-106.27	380.08	4.11	-102.16
CC(NC(=O)N[N-]C(=O)C1=CC=C(Cl)C=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906123	1	45	-2.0	-100.09	383.95	6.01	-94.08
CC(NC(=O)N[N-]C(=O)C1=CC2=CC=CC=C2O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906507	0	48	-2.0	-103.93	392.11	5.69	-98.24
CC(NC(=O)N[N-]C(=O)C1=NC2=CC=CC=C2C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907136	0	50	-2.0	-108.60	404.74	5.67	-102.93
CC(NC(=O)N1CC(C)CC(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907652	0	50	-2.0	-108.39	381.46	9.08	-99.31
CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907654	0	50	-2.0	-110.64	369.27	8.34	-102.30
CC(NC(=O)NCCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907668	0	43	-2.0	-101.25	340.89	5.48	-95.77
CC(NC(=O)N1CCC(C)C(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907670	0	50	-2.0	-102.51	367.24	8.31	-94.20
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907673	0	51	-2.0	-98.85	385.47	6.18	-92.67
CC(NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907694	0	49	-2.0	-101.69	374.65	6.37	-95.32
CCC(CC)(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(=O)[O-]	REAL300013907698	0	52	-2.0	-108.28	386.96	7.17	-101.11
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(=O)[O-]	REAL300013907738	0	43	-2.0	-105.63	340.76	5.89	-99.74
CC(C)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(=O)[O-]	REAL300013907739	0	49	-2.0	-106.52	375.13	7.21	-99.31
CC(NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907740	0	56	-2.0	-113.92	418.62	8.32	-105.60
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907753	0	53	-2.0	-102.37	408.29	8.82	-93.55
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907815	0	47	-2.0	-100.74	363.94	6.87	-93.87
CC(NC(=O)N1CCC(CCC(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907841	0	53	-2.0	-101.04	399.28	9.58	-91.46
CC(NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907842	0	49	-2.0	-107.55	374.86	6.29	-101.26
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907862	0	50	-2.0	-108.01	379.35	7.53	-100.48
CC(NC(=O)N1CCC(C(=O)[O-])C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908009	0	50	-2.0	-103.85	371.65	8.84	-95.01
CC(NC(=O)NCC1(C(=O)[O-])CCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908057	0	47	-2.0	-98.54	365.87	7.38	-91.16
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908064	0	50	-2.0	-113.43	390.58	8.02	-105.41
CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908094	0	50	-2.0	-110.64	369.27	8.34	-102.30
CC(C)C[C@H](CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CC(=O)[O-]	REAL300013908126	0	55	-2.0	-105.05	407.55	7.87	-97.18
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908161	0	47	-2.0	-120.40	372.70	7.68	-112.72
COCC1(C(=O)[O-])CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013908271	0	51	-2.0	-108.96	394.69	7.68	-101.28
CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908354	0	44	-2.0	-101.76	350.24	6.22	-95.54
CC(NC(=O)NC1CCN(CC(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908359	0	52	-2.0	-101.56	398.94	5.68	-95.88
CC(NC(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908378	0	47	-2.0	-108.80	355.53	7.93	-100.87
CC(NC(=O)NCC1=NC2=C(COCC2)C(=O)[N-]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908413	1	51	-2.0	-99.46	398.10	2.44	-97.02
CC(NC(=O)N1CCC[C@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908417	0	47	-2.0	-110.64	356.86	7.99	-102.65
CC(NC(=O)NC1CC(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908514	0	44	-2.0	-101.51	350.40	6.63	-94.88
CC(NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908515	0	44	-2.0	-104.37	350.20	6.60	-97.77
CC(NC(=O)NCC1=CC=C([O-])C(Cl)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908524	1	45	-2.0	-95.97	377.31	5.96	-90.01
CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908545	0	47	-2.0	-111.41	382.32	8.05	-103.36
CCC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(=O)[O-]	REAL300013908748	0	46	-2.0	-107.32	363.59	6.62	-100.70
CC(NC(=O)NCCC1=C(F)C=C([O-])C=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908804	1	48	-2.0	-99.12	393.43	6.24	-92.88
CO[N-]C(=O)CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908887	0	42	-2.0	-98.66	341.39	2.55	-96.11
CC(NC(=O)N1CCCCC1CCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908911	0	53	-2.0	-120.12	391.59	9.62	-110.50
CC(NC(=O)NCCCCCCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908983	0	55	-2.0	-103.51	427.37	8.61	-94.90
CC(NC(=O)NCCCCCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908984	0	52	-2.0	-104.75	405.38	7.82	-96.93
CC(NC(=O)N(C)CCCC(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909003	0	46	-2.0	-115.51	363.01	8.41	-107.10
CC(NC(=O)N1CCCC(C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909010	0	50	-2.0	-109.75	370.89	8.70	-101.05
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013909011	0	54	-2.0	-97.28	397.66	7.76	-89.52
COCCN(CCC(=O)[O-])C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909068	0	50	-2.0	-102.84	390.68	7.23	-95.61
CC(NC(=O)N1CCCC(CCC(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909641	0	53	-2.0	-110.21	398.38	9.60	-100.61
CC(NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909642	0	51	-2.0	-113.11	391.30	9.98	-103.13
CC(NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909715	0	48	-2.0	-95.28	370.04	6.80	-88.48
CC(NC(=O)N1CC(C(=O)[O-])CCC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909728	0	50	-2.0	-95.90	374.33	8.67	-87.23
CC(NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909741	0	54	-2.0	-101.38	421.97	10.99	-90.39
CC(NC(=O)N1CCCC(O)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909756	0	48	-2.0	-108.67	365.24	5.53	-103.14
CC(NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909761	0	51	-2.0	-102.67	402.01	9.18	-93.49
CC(NC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909826	0	54	-2.0	-124.25	406.99	7.80	-116.45
CC(NC(=O)N1CCC(C)([N-]C(=O)C(F)(F)F)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909828	1	51	-2.0	-97.10	408.28	4.77	-92.33
CC(NC(=O)NCC1=CC=CC(Cl)=C1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909941	1	45	-2.0	-97.08	373.12	5.50	-91.58
COCC1(C(=O)[O-])CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013909996	0	54	-2.0	-104.27	400.61	8.10	-96.17
CC(NC(=O)NC12CC(C(=O)[O-])(C1)C2)C1CC(C(=O)[O-])C1(C)C	REAL300013910003	0	45	-2.0	-105.66	354.11	6.58	-99.08
CC(NC(=O)NCC1(CC(=O)[O-])CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910074	0	56	-2.0	-106.73	403.76	8.30	-98.43
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910143	0	50	-2.0	-100.51	376.98	7.69	-92.82
CC(NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910166	0	53	-2.0	-102.11	403.87	8.14	-93.97
CC(NC(=O)N1CCC(CC(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910177	0	50	-2.0	-97.54	376.97	8.80	-88.74
CC(NC(=O)N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910272	0	49	-2.0	-94.88	388.05	5.74	-89.14
CC(NC(=O)N1CCC(OCC(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910356	0	51	-2.0	-102.26	393.57	8.21	-94.05
CC(NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910397	0	50	-2.0	-105.10	382.39	7.37	-97.73
CC(NC(=O)NC1CCCC(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910405	0	50	-2.0	-100.51	379.96	7.22	-93.29
CC(NC(=O)NCC1(C(=O)[O-])CCCOC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910462	0	51	-2.0	-104.19	386.30	6.28	-97.91
CC(NC(=O)NCC1(C(=O)[O-])CCOC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910492	0	48	-2.0	-105.70	372.07	5.49	-100.21
CC(NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910719	0	45	-2.0	-101.06	361.90	6.93	-94.13
CC(NC(=O)NCC1(C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910720	0	44	-2.0	-98.13	351.05	6.96	-91.17
CC(NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910808	0	51	-2.0	-99.74	384.81	8.79	-90.95
CC(NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910877	0	47	-2.0	-105.11	379.02	8.33	-96.78
CC(NC(=O)N1CCOC(C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910892	0	48	-2.0	-108.65	363.39	7.18	-101.47
CC1=NN(C2CCN(C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CC2)C(=O)[N-]1	REAL300013910983	1	54	-2.0	-99.15	415.95	6.25	-92.90
COC1CC(C(=O)[O-])CN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013911113	0	51	-2.0	-98.02	390.39	7.00	-91.02
CC(NC(=O)N1CCC(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911371	0	44	-2.0	-104.44	341.98	7.04	-97.40
CC(NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911443	0	45	-2.0	-105.88	359.19	6.95	-98.93
CC(CCC(=O)[O-])NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911497	0	46	-2.0	-105.29	364.32	6.96	-98.33
CC(CNC(=O)NCCNC(=O)C1=NC=CC=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300013911950	1	48	-2.0	-104.74	401.85	4.28	-100.46
CC1=CC=C(C(=O)[N-]NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300013912824	0	42	-2.0	-113.25	358.66	5.06	-108.19
CC(CNC(=O)N1CCC(C(=O)[O-])CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913757	0	44	-2.0	-97.73	345.67	8.94	-88.79
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913758	0	44	-2.0	-101.83	375.18	8.35	-93.48
CC(CNC(=O)N1CCOC(C(=O)[O-])C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913759	0	42	-2.0	-101.49	340.34	7.38	-94.11
CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913760	0	47	-2.0	-104.69	373.38	8.47	-96.22
CC(CNC(=O)NCCCCC(=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300013913761	0	43	-2.0	-97.95	354.77	7.14	-90.81
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913762	0	44	-2.0	-109.01	371.27	8.54	-100.47
CC(CNC(=O)NCCCCCC(=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300013913763	0	46	-2.0	-99.95	380.40	7.80	-92.15
CC(C)(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(=O)[O-]	REAL300013913764	0	43	-2.0	-101.85	350.76	6.92	-94.93
CC(CNC(=O)N1CCC(C)(C(=O)[O-])C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913765	0	44	-2.0	-101.58	358.27	8.31	-93.27
CC(CNC(=O)NCC1=CC(Cl)=CC(Cl)=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300013914216	0	42	-2.0	-95.41	385.92	6.76	-88.65
CC1=CC=CC(C(=O)[N-]NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013914894	0	44	-2.0	-119.63	375.67	4.85	-114.78
CC(CNC(=O)N[N-]C(=O)C1=CC=C(Cl)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300013914996	1	42	-2.0	-106.92	379.50	6.74	-100.18
CC(CNC(=O)N[N-]C(=O)C1=CC2=CC=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300013915367	0	45	-2.0	-117.32	387.71	6.42	-110.90
CC(CNC(=O)N[N-]C(=O)C1=NC2=CC=CC=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013915958	0	47	-2.0	-123.58	396.43	6.60	-116.98
CC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013916442	0	47	-2.0	-101.11	362.64	9.80	-91.31
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916444	0	47	-2.0	-108.45	365.33	9.03	-99.42
CC(CNC(=O)NCCCC(=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300013916457	0	40	-2.0	-97.45	333.27	6.36	-91.09
CC1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1C(=O)[O-]	REAL300013916459	0	47	-2.0	-108.84	367.02	9.46	-99.38
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916462	0	48	-2.0	-104.36	377.50	6.41	-97.95
CC(C)(CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(=O)[O-]	REAL300013916481	0	46	-2.0	-100.27	370.69	7.13	-93.14
CCC(CC)(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(=O)[O-]	REAL300013916484	0	49	-2.0	-110.22	374.16	8.20	-102.02
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(=O)[O-]	REAL300013916522	0	40	-2.0	-98.79	330.32	6.32	-92.47
CC(C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(=O)[O-]	REAL300013916523	0	46	-2.0	-102.71	362.79	7.64	-95.07
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013916524	0	53	-2.0	-102.37	408.29	8.82	-93.55
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916536	0	50	-2.0	-114.11	402.36	9.76	-104.35
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916593	0	44	-2.0	-102.99	358.84	7.50	-95.49
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916619	0	50	-2.0	-105.60	391.94	10.18	-95.42
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916620	0	46	-2.0	-113.49	363.86	7.12	-106.37
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916640	0	47	-2.0	-106.42	375.87	8.29	-98.13
CC1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCC1C(=O)[O-]	REAL300013916784	0	47	-2.0	-96.81	360.37	9.55	-87.26
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916831	0	44	-2.0	-111.66	358.80	7.45	-104.21
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916837	0	47	-2.0	-102.87	379.01	8.42	-94.45
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916865	0	47	-2.0	-108.45	365.33	9.03	-99.42
CC(C)C[C@H](CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC(=O)[O-]	REAL300013916899	0	52	-2.0	-101.36	409.33	8.85	-92.51
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300013916933	0	44	-2.0	-123.34	368.79	8.45	-114.89
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013917034	0	48	-2.0	-106.17	385.22	7.61	-98.56
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013917112	0	41	-2.0	-100.34	337.11	7.05	-93.29
CC(CNC(=O)NC1CCN(CC(=O)[O-])CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013917117	0	49	-2.0	-104.11	390.46	5.84	-98.27
CC(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013917134	0	44	-2.0	-101.88	347.47	8.90	-92.98
CC(CNC(=O)NCC1=NC2=C(COCC2)C(=O)[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013917169	1	48	-2.0	-96.19	390.23	3.40	-92.79
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O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013928847	0	42	-2.0	-99.98	338.09	8.54	-91.44
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300013928848	0	49	-2.0	-96.28	394.12	6.31	-89.97
O=C([O-])C(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013928910	0	39	-2.0	-91.43	316.99	5.42	-86.01
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013928929	0	45	-2.0	-101.23	366.99	9.19	-92.04
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013928938	0	39	-2.0	-96.46	314.05	4.11	-92.35
O=C([O-])C1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C21	REAL300013928944	0	42	-2.0	-95.10	346.61	7.41	-87.69
CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1[N-]C(=O)C(F)(F)F	REAL300013928979	1	45	-2.0	-93.19	368.82	4.03	-89.16
O=C([O-])CN1CCCCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1=O	REAL300013928995	0	45	-2.0	-120.31	355.38	6.39	-113.92
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013928997	1	42	-2.0	-87.30	352.10	2.98	-84.32
C[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013928998	1	45	-2.0	-94.27	367.20	4.49	-89.78
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC(Cl)=C2[O-])C1	REAL300013929096	1	36	-2.0	-93.41	320.92	4.12	-89.29
COCC1(C(=O)[O-])CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013929147	0	45	-2.0	-99.84	348.07	6.74	-93.10
O=C([O-])CC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCCC1	REAL300013929213	0	47	-2.0	-102.56	351.36	6.96	-95.60
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013929288	0	44	-2.0	-97.46	350.09	6.69	-90.77
N#CC1=CC2=C(CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)[N-]C1=O	REAL300013929379	0	40	-2.0	-91.06	336.93	4.38	-86.68
O=C([O-])COC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013929459	0	42	-2.0	-98.45	338.78	6.76	-91.69
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013929554	0	42	-2.0	-96.92	332.27	4.56	-92.36
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013929588	0	39	-2.0	-97.05	317.44	3.71	-93.34
CC(C)(CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1)C(=O)[O-]	REAL300013929734	0	50	-2.0	-95.45	402.94	8.66	-86.79
O=C([O-])C1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCC2	REAL300013929857	0	42	-2.0	-94.91	333.40	7.41	-87.50
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013929907	0	38	-2.0	-95.72	325.34	6.50	-89.22
CC1(C(=O)[O-])CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300013929917	0	39	-2.0	-97.66	312.29	5.80	-91.86
CC1=NN(C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C(=O)[N-]1	REAL300013930006	1	45	-2.0	-94.59	361.02	4.78	-89.81
COC1CC(C(=O)[O-])CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013930124	0	42	-2.0	-94.74	337.39	5.63	-89.11
O=C([O-])CN1C(=O)NC2(CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C1=O	REAL300013930162	0	47	-2.0	-100.56	382.91	5.24	-95.32
O=C([O-])C1(CNC(=O)NCCNC(=O)C2=NC=CC=C2[O-])CCCC1	REAL300013932810	1	45	-2.0	-104.31	375.35	2.81	-101.50
O=C([O-])C1(CNC(=O)N[N-]C(=O)C2=C(Cl)C=CC=C2Cl)CCCC1	REAL300013933285	0	39	-2.0	-112.97	360.84	5.51	-107.46
O=C([O-])C1(CNC(=O)N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)CCCC1	REAL300013933551	1	51	-2.0	-99.95	400.27	8.23	-91.72
CC1=CC=C(C2=CC(C(=O)[N-]NC(=O)NCC3(C(=O)[O-])CCCC3)=NN2)C=C1	REAL300013933565	1	49	-2.0	-117.43	408.61	5.38	-112.05
O=C([O-])C1(CNC(=O)N2CCC(C(=O)[N-]C3=NN=CS3)CC2)CCCC1	REAL300013933727	0	47	-2.0	-104.50	385.46	5.12	-99.38
CC1=CC=C(C(=O)[N-]NC(=O)NCC2(C(=O)[O-])CCCC2)O1	REAL300013933962	0	39	-2.0	-112.30	332.15	3.59	-108.71
O=C([O-])C1(CNC(=O)N[N-]C(=O)C(F)(F)OC2=CC=CC=C2)CCCC1	REAL300013934740	0	43	-2.0	-109.48	368.38	5.49	-103.99
O=C([O-])C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013934937	0	41	-2.0	-99.69	344.75	7.08	-92.61
O=C([O-])C1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CCO1	REAL300013934938	0	39	-2.0	-99.48	311.70	5.95	-93.53
O=C([O-])C1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934939	0	44	-2.0	-99.03	347.39	6.77	-92.26
O=C([O-])C1=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=CC=C1	REAL300013934940	0	41	-2.0	-101.07	344.76	7.07	-94.00
O=C([O-])CCCCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934941	0	43	-2.0	-98.02	349.99	6.53	-91.49
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934942	0	51	-2.0	-103.38	391.21	10.46	-92.92
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013935298	0	52	-2.0	-99.90	422.55	4.66	-95.24
O=C([O-])C1(CNC(=O)NCC2=CC=CC(Br)=C2[O-])CCCC1	REAL300013935447	1	39	-2.0	-96.90	343.07	5.12	-91.78
CCOC(=O)C1=N[N-]C(C2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)=N1	REAL300013935474	1	53	-2.0	-94.26	421.66	7.96	-86.30
O=C([O-])C1(CNC(=O)NCC2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300013935491	0	39	-2.0	-100.34	355.51	5.49	-94.85
O=C([O-])C1(CNC(=O)NNC(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])CCCC1	REAL300013935923	0	42	-2.0	-95.14	360.16	5.66	-89.48
CC1=CC=CC(C(=O)[N-]NC(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013936286	0	41	-2.0	-117.83	345.26	3.58	-114.25
O=C([O-])C1(CNC(=O)N[N-]C(=O)C2=CC=C(Cl)C=C2F)CCCC1	REAL300013936395	1	39	-2.0	-105.55	349.09	5.47	-100.08
O=C([O-])C1(CNC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCCC1	REAL300013936713	1	48	-2.0	-93.27	390.33	4.87	-88.40
O=C([O-])C1(CNC(=O)N[N-]C(=O)C2=CC3=CC=CC=C3O2)CCCC1	REAL300013936819	0	42	-2.0	-115.63	357.29	5.15	-110.48
O=C([O-])C1(CNC(=O)N[N-]C(=O)C2=NC3=CC=CC=C3C=C2)CCCC1	REAL300013937523	0	44	-2.0	-122.81	369.92	5.13	-117.68
O=C([O-])C1(CNC(=O)N[N-]C(=O)C2=CSC(N3CCOCC3)=N2)CCCC1	REAL300013937804	0	48	-2.0	-115.11	402.58	1.69	-113.42
O=C([O-])C1(CNC(=O)N[N-]C(=O)C2=CC=C(Br)S2)CCCC1	REAL300013937902	0	36	-2.0	-103.88	340.64	4.53	-99.35
O=C([O-])C1(CNC(=O)N[N-]C(=O)C2=NN(C3=CC=CC=C3)C=C2[O-])CCCC1	REAL300013937933	0	46	-3.0	-222.92	394.25	3.96	-218.96
CC1CC(C(=O)[O-])CN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938127	0	44	-2.0	-100.11	335.08	8.33	-91.78
CC1(C(=O)[O-])CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938129	0	44	-2.0	-97.76	332.08	7.61	-90.15
CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1C(=O)[O-]	REAL300013938147	0	44	-2.0	-108.07	329.90	7.72	-100.35
O=C([O-])C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCC1	REAL300013938148	0	45	-2.0	-101.60	347.08	5.14	-96.46
CC(C)(CCNC(=O)NCC1(C(=O)[O-])CCCC1)C(=O)[O-]	REAL300013938167	0	43	-2.0	-98.39	339.70	5.85	-92.54
CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CCCC1)C(=O)[O-]	REAL300013938169	0	46	-2.0	-104.07	352.59	6.66	-97.41
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C(=O)[O-]	REAL300013938207	0	43	-2.0	-102.02	336.52	6.26	-95.76
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013938208	0	50	-2.0	-108.01	379.35	7.53	-100.48
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013938222	0	47	-2.0	-106.42	375.87	8.29	-98.13
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938245	0	48	-2.0	-102.98	377.96	5.36	-97.62
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938245	1	48	-2.0	-102.98	377.96	5.36	-97.62
O=C([O-])CCC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938305	0	47	-2.0	-103.23	361.56	8.89	-94.34
O=C([O-])C1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300013938306	0	43	-2.0	-114.91	338.95	5.60	-109.31
O=C([O-])C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCCC1	REAL300013938329	0	44	-2.0	-112.59	343.39	7.08	-105.51
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CCC1C(=O)[O-]	REAL300013938467	0	44	-2.0	-97.51	338.44	8.07	-89.44
C[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C[C@@H]1NC(=O)C(F)(F)F	REAL300013938517	0	48	-2.0	-98.58	384.26	5.29	-93.29
C[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013938517	1	48	-2.0	-98.58	384.26	5.29	-93.29
O=C([O-])CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1CC1	REAL300013938523	0	44	-2.0	-95.74	345.14	7.55	-88.19
CC1(C(=O)[O-])CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938549	0	44	-2.0	-97.76	332.08	7.61	-90.15
CC(C)C[C@H](CNC(=O)NCC1(C(=O)[O-])CCCC1)CC(=O)[O-]	REAL300013938581	0	49	-2.0	-101.29	378.65	7.52	-93.77
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938614	0	41	-2.0	-109.19	338.36	7.20	-101.99
COCC1(C(=O)[O-])CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938717	0	45	-2.0	-104.08	356.65	6.20	-97.88
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3(C(=O)[O-])CCCC3)C2)C=N1	REAL300013938847	0	51	-2.0	-128.41	399.06	8.91	-119.50
O=C([O-])C1(CNC(=O)NCC2=NC3=C(COCC3)C(=O)N2)CCCC1	REAL300013938887	0	45	-2.0	-95.90	363.73	1.94	-93.96
O=C([O-])C1(CNC(=O)NCC2=NC3=C(COCC3)C(=O)[N-]2)CCCC1	REAL300013938887	1	45	-2.0	-95.90	363.73	1.94	-93.96
O=C([O-])C1(CNC(=O)NCC2=CC=C([O-])C(Cl)=C2)CCCC1	REAL300013939010	1	39	-2.0	-93.38	339.75	4.97	-88.41
O=C([O-])C1=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=CC=C1	REAL300013939033	0	41	-2.0	-101.07	344.76	7.07	-94.00
COC(=O)C1CC2(C1)CN(C(=O)NCC1(C(=O)[O-])CCCC1)CC2C(=O)[O-]	REAL300013939127	0	51	-2.0	-108.15	403.05	9.01	-99.14
O=C([O-])C1(CNC(=O)NCCC2=C(F)C=C([O-])C=C2F)CCCC1	REAL300013939278	1	42	-2.0	-91.61	355.84	5.25	-86.36
O=C([O-])CCC1CCCCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939392	0	47	-2.0	-111.69	354.84	8.83	-102.86
O=C([O-])CCCCCCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939460	0	49	-2.0	-97.50	392.99	8.10	-89.40
O=C([O-])CCCCCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939461	0	46	-2.0	-98.08	371.49	7.31	-90.77
CC1(C(=O)[O-])CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013939491	0	44	-2.0	-101.23	336.75	8.20	-93.03
COCC1(C(=O)[O-])CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013939492	0	48	-2.0	-104.14	367.86	7.99	-96.15
COCCN(CCC(=O)[O-])C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939548	0	44	-2.0	-111.84	356.31	6.72	-105.12
O=C([O-])C1(CNC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300013939655	0	50	-2.0	-108.47	394.17	8.94	-99.53
O=C([O-])CCC1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013940083	0	47	-2.0	-108.57	359.71	8.93	-99.64
O=C([O-])C1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC2=CC=CC=C21	REAL300013940084	0	45	-2.0	-124.13	354.09	10.22	-113.91
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CCO1	REAL300013940085	0	52	-2.0	-97.32	409.15	7.16	-90.16
O=C([O-])C(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013940160	0	42	-2.0	-94.69	331.96	6.13	-88.56
CC1CCC(C(=O)[O-])CN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940172	0	44	-2.0	-113.01	338.11	8.07	-104.94
O=C([O-])[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCCC2)C[C@H]1C1=CC=CC=C1	REAL300013940182	0	48	-2.0	-105.90	383.66	9.92	-95.98
O=C([O-])C1(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CCCC1	REAL300013940193	0	42	-2.0	-102.01	331.11	5.01	-97.00
O=C([O-])C1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C2=CC=CC=C21	REAL300013940199	0	45	-2.0	-100.22	362.96	8.09	-92.13
CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1[N-]C(=O)C(F)(F)F	REAL300013940235	1	48	-2.0	-107.64	384.34	5.31	-102.33
O=C([O-])CN1CCCCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C1=O	REAL300013940256	0	48	-2.0	-135.18	373.06	7.30	-127.88
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013940258	1	45	-2.0	-101.26	368.12	3.78	-97.48
C[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300013940259	1	48	-2.0	-98.58	384.26	5.29	-93.29
O=C([O-])C1(CNC(=O)NCC2=CC=CC(Cl)=C2[O-])CCCC1	REAL300013940360	1	39	-2.0	-97.81	338.68	5.01	-92.80
COCC1(C(=O)[O-])CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013940420	0	48	-2.0	-109.72	365.14	7.61	-102.11
O=C([O-])CC1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCCCC1	REAL300013940492	0	50	-2.0	-103.20	368.39	7.75	-95.45
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CC(C)C[C@H](CNC(=O)N[N-]C(=O)C1=NC2=CC=CC=C2C=C1)CC(=O)[O-]	REAL300013972842	0	49	-2.0	-108.97	403.37	5.68	-103.29
CC(C)C[C@H](CNC(=O)N1CC(C)CC(C(=O)[O-])C1)CC(=O)[O-]	REAL300013973415	0	49	-2.0	-101.29	371.21	8.82	-92.47
CC(C)C[C@H](CNC(=O)N1CCC(C)(C(=O)[O-])CC1)CC(=O)[O-]	REAL300013973417	0	49	-2.0	-100.64	368.24	8.28	-92.36
CC(C)C[C@H](CNC(=O)N1CCC(C)C(C(=O)[O-])C1)CC(=O)[O-]	REAL300013973434	0	49	-2.0	-107.96	370.26	8.41	-99.55
CC(C)C[C@H](CNC(=O)NCC1(C(=O)[O-])CCOCC1)CC(=O)[O-]	REAL300013973437	0	50	-2.0	-107.34	376.11	5.33	-102.01
CC(C)C[C@H](CNC(=O)NCCC(C)(C)C(=O)[O-])CC(=O)[O-]	REAL300013973460	0	48	-2.0	-95.09	373.73	6.41	-88.68
CCC(CC)(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[O-]	REAL300013973464	0	51	-2.0	-97.08	381.33	7.38	-89.70
CC(C)C[C@H](CNC(=O)NCC(C(=O)[O-])C(C)C)CC(=O)[O-]	REAL300013973508	0	48	-2.0	-101.07	365.55	6.61	-94.46
CC(C)C[C@H](CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CC(=O)[O-]	REAL300013973509	0	55	-2.0	-105.05	407.55	7.87	-97.18
CC(C)C[C@H](CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC(=O)[O-]	REAL300013973522	0	52	-2.0	-101.36	409.33	8.85	-92.51
CC(C)C[C@H](CNC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C)CC(=O)[O-]	REAL300013973544	0	53	-2.0	-87.54	411.45	5.96	-81.58
CC(C)C[C@H](CNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)CC(=O)[O-]	REAL300013973544	1	53	-2.0	-87.54	411.45	5.96	-81.58
CC(C)C[C@H](CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC(=O)[O-]	REAL300013973582	0	46	-2.0	-100.63	355.76	6.46	-94.17
CC(C)C[C@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)CC(=O)[O-]	REAL300013973608	0	52	-2.0	-101.22	394.87	9.41	-91.81
CC(C)C[C@H](CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)CC(=O)[O-]	REAL300013973609	0	48	-2.0	-92.72	371.83	6.29	-86.43
CC(C)C[C@H](CNC(=O)NCC1(C(=O)[O-])CCCC1)CC(=O)[O-]	REAL300013973633	0	49	-2.0	-101.29	378.65	7.52	-93.77
CC(C)C[C@H](CNC(=O)N1CCC(C(=O)[O-])C(C)C1)CC(=O)[O-]	REAL300013973779	0	49	-2.0	-96.16	367.15	8.68	-87.48
CC(C)C[C@H](CNC(=O)NCC1(C(=O)[O-])CCC1)CC(=O)[O-]	REAL300013973828	0	46	-2.0	-108.78	356.43	6.51	-102.27
CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)CC(=O)[O-]	REAL300013973834	0	53	-2.0	-112.59	417.68	5.83	-106.76
CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)CC(=O)[O-]	REAL300013973834	1	53	-2.0	-112.59	417.68	5.83	-106.76
CC(C)C[C@H](CNC(=O)NCC(CC(=O)[O-])C1CC1)CC(=O)[O-]	REAL300013973838	0	49	-2.0	-107.10	380.75	7.42	-99.68
CC(C)C[C@H](CNC(=O)N1CCC(C)(C(=O)[O-])CC1)CC(=O)[O-]	REAL300013973867	0	49	-2.0	-100.64	368.24	8.28	-92.36
CC(C)C[C@H](CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC(=O)[O-]	REAL300013973898	0	54	-2.0	-105.51	401.36	7.70	-97.81
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1C(=O)[O-])CC(=O)[O-]	REAL300013973932	0	46	-2.0	-109.95	371.83	7.73	-102.22
COCC1(C(=O)[O-])CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013974046	0	50	-2.0	-107.95	386.78	6.51	-101.44
CC(C)C[C@H](CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CC(=O)[O-]	REAL300013974139	0	43	-2.0	-100.14	340.13	5.92	-94.22
CC(C)C[C@H](CNC(=O)NC1CCN(CC(=O)[O-])CC1)CC(=O)[O-]	REAL300013974145	0	51	-2.0	-98.25	393.50	5.12	-93.13
CC(C)C[C@H](CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)CC(=O)[O-]	REAL300013974169	0	56	-2.0	-110.61	437.02	9.23	-101.38
CC(C)C[C@H](CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)CC(=O)[O-]	REAL300013974170	0	46	-2.0	-96.44	354.58	7.96	-88.48
CC(C)C[C@H](CNC(=O)NCC1=NC2=C(COCC2)C(=O)[N-]1)CC(=O)[O-]	REAL300013974205	1	50	-2.0	-91.03	397.10	2.44	-88.59
CC(C)C[C@H](CNC(=O)N1CCC[C@H](C(=O)[O-])C1)CC(=O)[O-]	REAL300013974210	0	46	-2.0	-97.07	355.11	7.98	-89.09
CC(C)C[C@H](CNC(=O)NC1CC(C(=O)[O-])C1)CC(=O)[O-]	REAL300013974321	0	43	-2.0	-104.24	340.52	5.87	-98.37
CC(C)C[C@H](CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)CC(=O)[O-]	REAL300013974322	0	43	-2.0	-104.12	340.06	5.92	-98.20
CC(C)C[C@H](CNC(=O)NCC1=CC=C([O-])C(Cl)=C1)CC(=O)[O-]	REAL300013974330	1	44	-2.0	-96.03	367.79	5.34	-90.69
CC(C)C[C@H](CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CC(=O)[O-]	REAL300013974352	0	46	-2.0	-111.41	372.80	7.44	-103.97
COC(=O)C1CC2(C1)CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2C(=O)[O-]	REAL300013974445	0	56	-2.0	-102.05	438.38	9.49	-92.56
CCC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(=O)[O-]	REAL300013974560	0	45	-2.0	-102.28	354.02	6.02	-96.26
CC(C)C[C@H](CNC(=O)NCCC1=C(F)C=C([O-])C=C1F)CC(=O)[O-]	REAL300013974615	1	47	-2.0	-98.01	383.89	5.58	-92.43
CC(C)C[C@H](CNC(=O)N1CCCCC1CCC(=O)[O-])CC(=O)[O-]	REAL300013974725	0	52	-2.0	-106.37	388.46	9.38	-96.99
CC(C)C[C@H](CNC(=O)NCCCCCCCC(=O)[O-])CC(=O)[O-]	REAL300013974799	0	54	-2.0	-95.52	426.44	8.66	-86.86
CC(C)C[C@H](CNC(=O)NCCCCCCC(=O)[O-])CC(=O)[O-]	REAL300013974800	0	51	-2.0	-103.80	399.55	7.64	-96.16
CC(C)C[C@H](CNC(=O)N(C)CCCC(=O)[O-])CC(=O)[O-]	REAL300013974822	0	45	-2.0	-107.24	352.65	7.74	-99.50
CC(C)C[C@H](CNC(=O)N1CCCC(C)(C(=O)[O-])C1)CC(=O)[O-]	REAL300013974830	0	49	-2.0	-107.75	369.71	8.74	-99.01
COCC1(C(=O)[O-])CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013974831	0	53	-2.0	-109.19	394.65	8.44	-100.75
COCCN(CCC(=O)[O-])C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013974889	0	49	-2.0	-107.28	384.38	7.05	-100.23
CC(C)C[C@H](CNC(=O)N1CCCC(CCC(=O)[O-])C1)CC(=O)[O-]	REAL300013975462	0	52	-2.0	-109.62	394.72	9.38	-100.24
CC(C)C[C@H](CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)CC(=O)[O-]	REAL300013975463	0	50	-2.0	-116.15	381.88	10.54	-105.61
CC(C)C[C@H](CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)CC(=O)[O-]	REAL300013975540	0	47	-2.0	-96.96	361.75	6.53	-90.43
CC(C)C[C@H](CNC(=O)N1CC(C(=O)[O-])CCC1C)CC(=O)[O-]	REAL300013975553	0	49	-2.0	-99.00	371.44	8.58	-90.42
CC(C)C[C@H](CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)CC(=O)[O-]	REAL300013975566	0	53	-2.0	-104.51	411.69	10.30	-94.21
CC(C)C[C@H](CNC(=O)N1CCCC(O)(C(=O)[O-])C1)CC(=O)[O-]	REAL300013975581	0	47	-2.0	-104.63	359.20	5.38	-99.25
CC(C)C[C@H](CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)CC(=O)[O-]	REAL300013975586	0	50	-2.0	-97.94	400.89	8.86	-89.08
CC(C)C[C@H](CNC(=O)N1CCC(C)C([N-]C(=O)C(F)(F)F)C1)CC(=O)[O-]	REAL300013975624	1	53	-2.0	-105.48	417.18	5.81	-99.67
CC(C)C[C@H](CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)CC(=O)[O-]	REAL300013975652	0	53	-2.0	-146.03	400.87	7.61	-138.42
CC(C)C[C@H](CNC(=O)N1CCC(C)([N-]C(=O)C(F)(F)F)C1)CC(=O)[O-]	REAL300013975654	1	50	-2.0	-107.15	398.24	4.12	-103.03
CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)CC(=O)[O-]	REAL300013975655	1	53	-2.0	-112.59	417.68	5.83	-106.76
CC(C)C[C@H](CNC(=O)NCC1=CC=CC(Cl)=C1[O-])CC(=O)[O-]	REAL300013975766	1	44	-2.0	-96.32	372.13	5.56	-90.76
COCC1(C(=O)[O-])CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013975822	0	53	-2.0	-100.98	394.02	7.21	-93.77
CC(C)C[C@H](CNC(=O)NC12CC(C(=O)[O-])(C1)C2)CC(=O)[O-]	REAL300013975829	0	44	-2.0	-104.89	349.92	6.10	-98.79
CC(C)C[C@H](CNC(=O)NCC1(CC(=O)[O-])CCCCC1)CC(=O)[O-]	REAL300013975903	0	55	-2.0	-115.24	396.18	8.08	-107.16
CC(C)C[C@H](CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)CC(=O)[O-]	REAL300013975971	0	49	-2.0	-100.63	369.67	7.54	-93.09
CC(C)C[C@H](CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)CC(=O)[O-]	REAL300013975993	0	52	-2.0	-102.57	395.19	7.81	-94.76
CC(C)C[C@H](CNC(=O)N1CCC(CC(=O)[O-])CC1)CC(=O)[O-]	REAL300013976004	0	49	-2.0	-101.28	372.56	8.63	-92.65
CC(C)C[C@H](CNC(=O)N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1)CC(=O)[O-]	REAL300013976097	0	48	-2.0	-92.28	381.67	5.57	-86.71
CC(C)C[C@H](CNC(=O)N1CCC(OCC(=O)[O-])CC1)CC(=O)[O-]	REAL300013976193	0	50	-2.0	-100.11	383.50	7.87	-92.24
CC(C)C[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)CC(=O)[O-]	REAL300013976234	0	49	-2.0	-96.31	380.91	7.27	-89.04
CC(C)C[C@H](CNC(=O)NC1CCCC(C(=O)[O-])C1)CC(=O)[O-]	REAL300013976242	0	49	-2.0	-96.36	380.31	7.31	-89.05
CC(C)C[C@H](CNC(=O)NCC1(C(=O)[O-])CCCOC1)CC(=O)[O-]	REAL300013976302	0	50	-2.0	-104.04	379.87	5.95	-98.09
CC(C)C[C@H](CNC(=O)NCC1(C(=O)[O-])CCOC1)CC(=O)[O-]	REAL300013976337	0	47	-2.0	-99.69	361.80	4.61	-95.08
CC(C)C[C@H](CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)CC(=O)[O-]	REAL300013976523	0	58	-2.0	-100.31	448.02	9.78	-90.53
CC(C)C[C@H](CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)CC(=O)[O-]	REAL300013976575	0	44	-2.0	-105.99	351.60	6.56	-99.43
CC(C)C[C@H](CNC(=O)NCC1(C(=O)[O-])CC1)CC(=O)[O-]	REAL300013976576	0	43	-2.0	-108.03	340.70	6.24	-101.79
CC(C)C[C@H](CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)CC(=O)[O-]	REAL300013976669	0	50	-2.0	-99.85	378.36	8.61	-91.24
CC(C)C[C@H](CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)CC(=O)[O-]	REAL300013976736	0	46	-2.0	-103.55	369.27	7.63	-95.92
CC(C)C[C@H](CNC(=O)N1CCOC(C)(C(=O)[O-])C1)CC(=O)[O-]	REAL300013976751	0	47	-2.0	-106.28	362.68	7.21	-99.07
CC1=NN(C2CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)C(=O)[N-]1	REAL300013976851	1	53	-2.0	-97.52	405.83	5.90	-91.62
COC1CC(C(=O)[O-])CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013976989	0	50	-2.0	-104.85	387.70	6.99	-97.86
CC(C)C[C@H](CNC(=O)N1CCC(C(=O)[O-])C1)CC(=O)[O-]	REAL300013977253	0	43	-2.0	-104.13	336.17	6.88	-97.25
CC(C)C[C@H](CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)CC(=O)[O-]	REAL300013977332	0	44	-2.0	-96.88	356.34	6.83	-90.05
CC(C)C[C@H](CNC(=O)NC(C)CCC(=O)[O-])CC(=O)[O-]	REAL300013977389	0	45	-2.0	-95.47	360.20	6.54	-88.93
O=C([O-])C1=CC=CC=C1CNC(=O)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300013978990	1	42	-2.0	-111.60	368.26	2.98	-108.62
O=C([O-])C1=CC=CC=C1CNC(=O)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl	REAL300013979455	0	36	-2.0	-120.93	353.77	5.66	-115.27
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300013979727	1	48	-2.0	-100.17	393.13	8.38	-91.79
CC1=CC=C(C2=CC(C(=O)[N-]NC(=O)NCC3=CC=CC=C3C(=O)[O-])=NN2)C=C1	REAL300013979741	1	46	-2.0	-124.08	401.52	5.54	-118.54
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300013979907	0	44	-2.0	-102.13	378.33	5.27	-96.86
CC1=CC=C(C(=O)[N-]NC(=O)NCC2=CC=CC=C2C(=O)[O-])O1	REAL300013980147	0	36	-2.0	-119.42	325.06	3.75	-115.67
O=C([O-])C1=CC=CC=C1CNC(=O)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1	REAL300013980958	0	40	-2.0	-115.72	361.31	5.65	-110.07
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013981164	0	38	-2.0	-103.58	313.59	7.60	-95.98
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013981165	0	38	-2.0	-106.17	337.67	7.24	-98.93
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013981166	0	36	-2.0	-112.41	306.76	6.06	-106.35
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013981167	0	41	-2.0	-105.70	334.55	7.31	-98.39
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=CC=C1	REAL300013981168	0	38	-2.0	-106.38	337.69	7.22	-99.16
O=C([O-])CCCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981169	0	40	-2.0	-105.56	342.92	6.69	-98.87
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013981170	0	48	-2.0	-111.85	386.18	10.69	-101.16
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981171	0	38	-2.0	-125.51	317.92	7.24	-118.27
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=CC(Br)=C1[O-]	REAL300013981672	1	36	-2.0	-103.73	335.99	5.28	-98.45
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300013981719	0	36	-2.0	-111.04	348.42	5.65	-105.39
O=C([O-])C1=CC=CC=C1CNC(=O)NNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300013982154	0	39	-2.0	-100.13	353.07	5.83	-94.30
CC1=CC=CC(C(=O)[N-]NC(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013982531	0	38	-2.0	-124.78	338.17	3.74	-121.04
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