COC1=CC=C(F)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000314	0	33	-1.0	-44.83	284.30	3.34	-41.49
CC1=C(Br)C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008000315	0	34	-1.0	-53.15	327.88	5.36	-47.79
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000316	0	40	-1.0	-49.17	351.46	3.82	-45.35
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C	REAL300008000317	0	40	-1.0	-51.55	354.47	0.64	-50.91
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008000318	0	47	-1.0	-47.74	350.22	5.22	-42.52
CC1=NC2=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300008000319	0	37	-1.0	-60.65	323.76	4.82	-55.83
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008000320	0	37	-1.0	-63.26	327.96	5.44	-57.82
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008000321	0	40	-1.0	-53.44	340.30	2.09	-51.35
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000322	0	43	-1.0	-57.83	384.25	4.61	-53.22
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000323	0	43	-1.0	-54.19	380.67	4.71	-49.48
COCCOCCOCCS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000324	0	43	-1.0	-52.83	371.62	0.86	-51.97
CC(COC1CCCC1)CS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000325	0	45	-1.0	-49.68	365.43	5.00	-44.68
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300008000326	0	44	-1.0	-54.82	386.17	4.99	-49.83
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000327	0	36	-1.0	-51.35	333.40	3.93	-47.42
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008000328	0	37	-1.0	-53.25	323.65	1.38	-51.87
COC1=CC(Br)=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000329	0	33	-1.0	-50.30	315.64	3.55	-46.75
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008000330	0	33	-1.0	-41.12	292.73	3.57	-37.55
COC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008000331	0	35	-1.0	-49.78	318.65	4.29	-45.49
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000332	0	35	-1.0	-48.93	317.45	5.33	-43.60
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000333	0	35	-1.0	-53.13	318.32	5.52	-47.61
CC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300008000334	0	35	-1.0	-47.80	317.56	5.06	-42.74
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CCCN1CCOCC1	REAL300008000335	0	41	-1.0	-49.99	336.81	0.53	-49.46
COCCN1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=N1	REAL300008000336	0	36	-1.0	-53.89	322.90	1.16	-52.73
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008000337	0	36	-1.0	-51.78	327.49	4.09	-47.69
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1C	REAL300008000338	0	56	-1.0	-47.27	448.15	8.00	-39.27
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1F	REAL300008000339	0	43	-1.0	-50.44	374.20	1.48	-48.96
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008000340	0	37	-1.0	-52.37	336.60	5.73	-46.64
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008000341	0	34	-1.0	-56.84	306.05	3.99	-52.85
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008000342	0	32	-1.0	-48.84	308.20	4.88	-43.96
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=CC=C1Br	REAL300008000343	0	32	-1.0	-52.77	303.60	4.82	-47.95
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008000344	0	36	-1.0	-72.59	327.76	1.41	-71.18
CC1=CC(Br)=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000345	0	32	-1.0	-47.08	305.85	4.83	-42.25
CC1=C(Br)C=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000346	0	32	-1.0	-48.54	295.79	4.96	-43.58
COC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC=C1Br	REAL300008000347	0	33	-1.0	-48.23	313.04	3.52	-44.71
COC1=CC(OC)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1Cl	REAL300008000348	0	37	-1.0	-44.79	323.35	3.14	-41.65
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008000349	0	32	-1.0	-56.81	307.10	2.62	-54.19
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008000350	0	32	-1.0	-53.60	302.22	2.40	-51.20
CC1(C)CC2=CC(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])=CC=C2O1	REAL300008000351	0	40	-1.0	-51.76	340.57	4.80	-46.96
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008000352	0	32	-1.0	-56.77	290.42	2.38	-54.39
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000353	0	40	-1.0	-52.12	345.09	2.79	-49.33
CC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1I	REAL300008000354	0	32	-1.0	-51.42	308.48	5.19	-46.23
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000355	0	41	-1.0	-57.12	366.79	2.78	-54.34
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000356	0	46	-1.0	-63.46	401.62	3.34	-60.12
CSC1=CC=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000357	0	33	-1.0	-47.24	281.08	3.61	-43.63
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000358	0	46	-1.0	-60.80	406.02	2.06	-58.74
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1F	REAL300008000359	0	37	-1.0	-51.41	342.08	0.33	-51.08
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])S1	REAL300008000360	0	43	-1.0	-56.66	398.44	1.18	-55.48
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(OC)=C1	REAL300008000361	0	44	-1.0	-49.99	372.67	0.91	-49.08
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(F)=C1	REAL300008000362	0	43	-1.0	-54.61	381.58	1.61	-53.00
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000363	0	43	-1.0	-54.22	382.27	1.34	-52.88
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000364	0	40	-1.0	-58.71	344.89	3.58	-55.13
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1F	REAL300008000365	0	43	-1.0	-50.70	385.04	2.00	-48.70
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300008000366	0	44	-1.0	-57.91	372.46	4.76	-53.15
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1F	REAL300008000367	0	40	-1.0	-50.65	363.54	1.22	-49.43
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008000368	0	44	-1.0	-56.51	376.89	3.99	-52.52
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008000369	0	41	-1.0	-71.87	348.23	2.68	-69.19
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000370	0	38	-1.0	-65.54	347.04	2.04	-63.50
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000371	0	39	-1.0	-53.61	338.68	0.81	-52.80
CCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1Br	REAL300008000372	0	36	-1.0	-47.26	334.89	4.45	-42.81
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300008000373	0	43	-1.0	-54.96	371.31	6.61	-48.35
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008000374	0	33	-1.0	-41.23	303.10	4.02	-37.21
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300008000375	0	35	-1.0	-50.38	343.60	1.68	-48.70
COC1=CC=C(Br)C(CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000376	0	36	-1.0	-52.40	333.08	4.13	-48.27
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2S1	REAL300008000377	0	43	-1.0	-51.72	376.14	5.50	-46.22
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000378	0	36	-1.0	-44.94	317.22	4.45	-40.49
CC(C)N1N=CC2=CC(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])=CC=C21	REAL300008000379	0	41	-1.0	-52.64	353.87	5.08	-47.56
CCS(=O)(=O)NCCS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000380	0	36	-1.0	-54.16	327.01	-1.70	-55.86
CC1=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008000381	0	35	-1.0	-51.64	318.77	4.64	-47.00
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008000382	0	32	-1.0	-50.54	318.78	5.48	-45.06
CC1=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008000383	0	35	-1.0	-53.72	330.36	6.45	-47.27
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300008000384	0	32	-1.0	-48.40	297.91	4.71	-43.69
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008000385	0	35	-1.0	-52.38	320.77	6.41	-45.97
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008000386	0	35	-1.0	-50.91	324.12	5.33	-45.58
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008000387	0	40	-1.0	-51.34	344.28	4.90	-46.44
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008000388	0	43	-1.0	-53.01	379.41	6.96	-46.05
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000389	0	42	-1.0	-54.22	369.67	5.08	-49.14
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008000390	0	40	-1.0	-53.87	363.15	0.62	-53.25
CC1=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008000391	0	38	-1.0	-53.09	334.32	6.57	-46.52
CC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1N(C)C	REAL300008000392	0	40	-1.0	-49.83	339.48	4.28	-45.55
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300008000393	0	35	-1.0	-48.77	325.64	5.52	-43.25
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008000394	0	34	-1.0	-49.39	294.59	0.45	-48.94
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CCOCC1CCCC1	REAL300008000395	0	42	-1.0	-49.65	347.89	4.01	-45.64
COC1=CC(C)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1Cl	REAL300008000396	0	36	-1.0	-53.98	325.07	4.38	-49.60
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000397	0	38	-1.0	-59.50	349.34	1.85	-57.65
CSC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1Cl	REAL300008000398	0	33	-1.0	-47.11	318.33	5.02	-42.09
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000399	0	41	-1.0	-53.66	339.21	4.04	-49.62
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008000400	0	37	-1.0	-47.77	334.29	2.12	-45.65
CCC1=NOC2=NC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C12	REAL300008000401	0	36	-1.0	-47.48	324.37	1.26	-46.22
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008000402	0	40	-1.0	-54.04	359.72	3.37	-50.67
CN1N=CC2=CC(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])=CN=C21	REAL300008000403	0	34	-1.0	-54.65	309.22	2.75	-51.90
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008000404	0	35	-1.0	-49.43	330.34	6.43	-43.00
CCC1=CC(CC)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(CC)=C1	REAL300008000405	0	47	-1.0	-48.97	363.34	8.16	-40.81
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000406	1	44	-1.0	-51.23	382.91	0.80	-50.43
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008000407	0	35	-1.0	-49.72	333.47	1.70	-48.02
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008000408	0	38	-1.0	-49.98	331.05	7.05	-42.93
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C)=C1F	REAL300008000409	0	36	-1.0	-50.23	314.04	3.85	-46.38
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008000410	0	38	-1.0	-52.06	325.17	4.98	-47.08
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008000412	0	37	-1.0	-52.18	332.59	4.81	-47.37
COCC1=CC(Cl)=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000413	0	36	-1.0	-48.16	334.93	3.78	-44.38
CC1=CC=C(CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(F)=C1	REAL300008000414	0	35	-1.0	-55.42	313.61	4.97	-50.45
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008000416	0	29	-1.0	-49.51	295.71	3.74	-45.77
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008000417	0	42	-1.0	-51.16	351.90	6.84	-44.32
CC(C)(C)C1=CC(CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=NO1	REAL300008000418	0	40	-1.0	-50.14	345.01	4.28	-45.86
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008000419	0	38	-1.0	-59.07	324.44	0.73	-58.34
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008000420	0	32	-1.0	-53.62	301.04	4.08	-49.54
CC1=C(CCS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])SC=N1	REAL300008000421	0	34	-1.0	-50.51	312.39	2.79	-47.72
COC1=CC=C2C=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])CCC2=C1	REAL300008000422	0	41	-1.0	-50.86	347.09	5.26	-45.60
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC12CCC(CC1)CC2	REAL300008000423	0	42	-1.0	-49.78	322.27	5.64	-44.14
CC(C)(CCS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300008000424	0	40	-1.0	-66.75	336.40	0.67	-66.08
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1CCCCC1(F)F	REAL300008000425	0	38	-1.0	-50.30	316.19	4.70	-45.60
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C12	REAL300008000426	0	44	-1.0	-57.64	386.55	6.80	-50.84
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C12	REAL300008000427	0	48	-1.0	-50.57	404.66	4.32	-46.25
CCC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008000428	0	37	-1.0	-47.20	327.27	5.47	-41.73
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008000429	0	29	-1.0	-47.86	284.44	4.17	-43.69
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000430	0	31	-1.0	-48.95	293.07	4.29	-44.66
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008000431	0	35	-1.0	-52.57	309.09	5.83	-46.74
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008000432	0	31	-1.0	-59.32	291.37	4.21	-55.11
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000433	0	34	-1.0	-57.48	307.81	5.19	-52.29
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008000434	0	31	-1.0	-53.11	282.29	5.11	-48.00
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000435	0	36	-1.0	-55.55	333.65	4.84	-50.71
CC1=CC(C)=C(C)C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1C	REAL300008000436	0	41	-1.0	-49.42	322.25	6.04	-43.38
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000437	0	44	-1.0	-52.43	354.14	6.77	-45.66
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008000438	0	32	-1.0	-47.22	303.61	4.62	-42.60
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008000439	0	32	-1.0	-49.46	287.92	5.12	-44.34
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008000440	0	35	-1.0	-47.92	318.65	4.29	-43.63
CC(C)(C)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000441	0	41	-1.0	-50.44	339.35	5.87	-44.57
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000442	0	46	-1.0	-54.34	399.87	3.27	-51.07
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000443	0	40	-1.0	-55.35	361.17	1.59	-53.76
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1Br	REAL300008000444	0	33	-1.0	-47.53	313.04	3.52	-44.01
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300008000445	0	35	-1.0	-47.12	340.94	5.55	-41.57
CC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC=C1Br	REAL300008000446	0	32	-1.0	-48.16	302.63	4.73	-43.43
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300008000447	0	43	-1.0	-50.97	374.95	7.15	-43.82
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008000448	0	33	-1.0	-48.83	309.12	3.34	-45.49
CC1=C(C)C(C)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C)=C1C	REAL300008000449	0	44	-1.0	-50.72	337.00	6.56	-44.16
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008000450	0	38	-1.0	-55.96	325.96	3.51	-52.45
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000451	0	45	-1.0	-47.43	353.95	5.59	-41.84
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C21	REAL300008000452	0	36	-1.0	-54.92	338.57	5.93	-48.99
CC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008000453	0	34	-1.0	-46.63	307.36	4.74	-41.89
COC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000454	0	33	-1.0	-44.58	299.20	3.90	-40.68
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000455	0	47	-1.0	-48.91	364.13	7.29	-41.62
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008000456	0	32	-1.0	-47.71	301.87	4.55	-43.16
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008000457	0	39	-1.0	-51.91	325.84	6.04	-45.87
COC1=CC=C(OC)C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000458	0	37	-1.0	-47.87	307.36	2.56	-45.31
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1OC	REAL300008000459	0	37	-1.0	-53.05	321.87	2.76	-50.29
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008000460	0	37	-1.0	-51.21	317.65	5.96	-45.25
CC(C)CCC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000461	0	44	-1.0	-50.18	366.59	7.06	-43.12
CCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1OCC	REAL300008000462	0	43	-1.0	-50.80	367.31	4.67	-46.13
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000463	0	34	-1.0	-55.53	317.31	-1.49	-57.02
CC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300008000464	0	37	-1.0	-46.69	324.23	5.27	-41.42
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1C	REAL300008000465	0	37	-1.0	-56.59	323.08	5.64	-50.95
CC1=CC2=CC=CC(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])=C2N=C1	REAL300008000466	0	37	-1.0	-55.55	310.75	5.06	-50.49
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008000467	0	35	-1.0	-50.35	310.02	4.32	-46.03
COC1=CC(Cl)=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000468	0	33	-1.0	-45.29	294.66	3.79	-41.50
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000469	0	34	-1.0	-63.34	319.11	-1.42	-64.76
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008000470	0	41	-1.0	-61.88	372.14	1.40	-60.48
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000471	0	37	-1.0	-50.55	329.65	4.91	-45.64
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008000472	0	38	-1.0	-50.21	319.89	4.85	-45.36
CC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300008000473	0	37	-1.0	-53.93	321.10	4.91	-49.02
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C	REAL300008000474	0	37	-1.0	-52.45	320.73	6.31	-46.14
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000475	0	40	-1.0	-63.07	360.44	1.62	-61.45
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008000476	0	41	-1.0	-52.29	349.07	2.88	-49.41
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000477	0	35	-1.0	-65.10	323.86	1.07	-64.03
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008000478	0	39	-1.0	-54.69	332.55	7.17	-47.52
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008000479	0	35	-1.0	-53.51	304.15	5.91	-47.60
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008000480	0	39	-1.0	-51.94	337.33	6.96	-44.98
CN(C)C1=CC=CC2=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=CC=C12	REAL300008000481	0	43	-1.0	-52.34	357.57	5.76	-46.58
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008000482	0	30	-1.0	-53.46	280.84	1.92	-51.54
COC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000483	0	33	-1.0	-44.72	294.64	3.79	-40.93
CCC(C)(C)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000484	0	44	-1.0	-50.58	353.56	6.34	-44.24
CC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1Cl	REAL300008000485	0	32	-1.0	-52.02	298.59	4.67	-47.35
CC(C)OC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000486	0	39	-1.0	-51.14	332.41	4.41	-46.73
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008000487	0	32	-1.0	-48.90	303.63	4.77	-44.13
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008000488	0	34	-1.0	-47.02	319.77	6.04	-40.98
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008000489	0	34	-1.0	-54.86	289.42	4.41	-50.45
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008000490	0	40	-1.0	-52.75	368.61	6.94	-45.81
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000491	0	35	-1.0	-45.03	306.16	3.94	-41.09
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1F	REAL300008000492	0	33	-1.0	-47.71	298.84	2.92	-44.79
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008000493	0	40	-1.0	-49.69	370.26	6.98	-42.71
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300008000494	0	44	-1.0	-52.06	383.04	5.76	-46.30
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C(C)C)=C1	REAL300008000495	0	56	-1.0	-49.19	425.01	9.57	-39.62
CC(C)OC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008000496	0	45	-1.0	-53.36	372.17	6.82	-46.54
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008000497	0	32	-1.0	-50.28	318.81	5.23	-45.05
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008000498	0	39	-1.0	-53.58	332.47	5.25	-48.33
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300008000499	0	45	-1.0	-52.39	382.94	1.19	-51.20
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000500	0	34	-1.0	-49.32	306.94	5.00	-44.32
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000501	0	34	-1.0	-48.32	300.36	4.95	-43.37
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000502	0	37	-1.0	-57.30	323.95	6.06	-51.24
CC(C)CC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000503	0	41	-1.0	-50.81	346.00	6.31	-44.50
COCCC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000504	0	39	-1.0	-50.62	339.70	4.06	-46.56
COCCN(CCOC)S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000505	0	41	-1.0	-46.76	335.69	0.76	-46.00
CC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000506	0	32	-1.0	-52.17	296.31	5.04	-47.13
COC1=C(C)C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C	REAL300008000507	0	39	-1.0	-51.39	338.44	4.51	-46.88
CC(C)CCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000508	0	45	-1.0	-49.22	375.06	5.88	-43.34
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008000509	0	43	-1.0	-49.44	357.22	5.74	-43.70
CC(C)COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000510	0	42	-1.0	-49.29	356.08	5.27	-44.02
CCCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000511	0	39	-1.0	-49.34	335.97	4.57	-44.77
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1Cl	REAL300008000512	0	33	-1.0	-47.54	308.65	3.41	-44.13
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008000513	0	33	-1.0	-50.37	318.40	3.68	-46.69
CC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300008000514	0	42	-1.0	-51.86	354.21	5.21	-46.65
COCCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000515	0	40	-1.0	-50.96	348.10	3.05	-47.91
CC1=CC(Br)=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000516	0	32	-1.0	-49.10	300.01	4.95	-44.15
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1C	REAL300008000517	0	37	-1.0	-52.21	315.62	6.54	-45.67
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000518	0	38	-1.0	-56.46	339.40	1.86	-54.60
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008000519	0	41	-1.0	-54.19	372.14	1.40	-52.79
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000520	0	37	-1.0	-54.76	339.74	-0.28	-55.04
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000521	0	37	-1.0	-60.23	312.22	1.16	-59.07
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300008000522	0	32	-1.0	-48.66	286.05	4.33	-44.33
COC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC=C1F	REAL300008000523	0	33	-1.0	-48.46	298.85	2.92	-45.54
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008000524	0	39	-1.0	-55.69	337.34	6.96	-48.73
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008000525	0	32	-1.0	-48.32	320.37	5.27	-43.05
CC1=NC(C2=CC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])S2)=CS1	REAL300008000526	0	35	-1.0	-52.12	342.59	4.11	-48.01
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008000527	0	49	-1.0	-50.93	397.72	7.17	-43.76
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000528	0	37	-1.0	-56.76	317.18	5.37	-51.39
CNC(=O)C1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CN1C	REAL300008000529	0	37	-1.0	-52.60	327.07	1.21	-51.39
COC1=CC(C)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C)=C1	REAL300008000530	0	39	-1.0	-49.97	317.31	4.25	-45.72
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008000531	0	40	-1.0	-53.23	349.07	7.74	-45.49
COC1=CC(C)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C	REAL300008000532	0	39	-1.0	-52.79	328.24	4.37	-48.42
CC1=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008000533	0	37	-1.0	-52.27	310.51	4.81	-47.46
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008000534	0	34	-1.0	-52.78	299.45	4.10	-48.68
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-])=C2	REAL300008000535	0	42	-1.0	-53.90	364.66	7.46	-46.44
CCN1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008000536	0	34	-1.0	-51.94	314.91	4.51	-47.43
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008000537	0	36	-1.0	-49.07	334.05	4.24	-44.83
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008000538	0	43	-1.0	-50.71	374.39	6.83	-43.88
CCC(=O)C1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000539	0	37	-1.0	-53.36	327.96	4.89	-48.47
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008000540	0	39	-1.0	-55.88	349.12	5.11	-50.77
CC(C)CCN(CCC(C)C)S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000541	0	51	-1.0	-48.84	397.77	6.39	-42.45
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000542	0	37	-1.0	-59.30	336.69	0.26	-59.04
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300008000543	0	44	-1.0	-55.15	383.00	2.62	-52.53
CCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008000544	0	42	-1.0	-53.34	354.32	6.18	-47.16
CCOC1=CC=C(C)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000545	0	39	-1.0	-53.76	334.67	4.88	-48.88
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008000546	0	34	-1.0	-54.17	311.42	3.73	-50.44
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008000547	0	36	-1.0	-55.40	323.71	4.67	-50.73
CCOCCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000548	0	43	-1.0	-50.98	369.96	4.01	-46.97
CCCCCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000549	0	45	-1.0	-49.21	378.97	6.14	-43.07
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008000550	0	39	-1.0	-51.81	318.77	6.24	-45.57
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008000551	0	35	-1.0	-50.57	313.32	5.44	-45.13
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008000552	0	33	-1.0	-49.91	319.51	5.01	-44.90
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008000553	0	37	-1.0	-56.00	326.78	4.81	-51.19
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008000554	0	35	-1.0	-54.13	307.02	0.02	-54.11
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008000555	0	34	-1.0	-50.08	311.39	3.73	-46.35
CCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C)=C1	REAL300008000556	0	39	-1.0	-51.24	330.03	4.56	-46.68
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000557	0	37	-1.0	-62.02	339.74	-0.28	-62.30
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008000558	0	33	-1.0	-47.37	293.94	3.70	-43.67
CSC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000559	0	33	-1.0	-49.18	303.33	4.57	-44.61
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008000560	0	35	-1.0	-49.61	327.69	5.36	-44.25
CCN(CC1=CC=CC=C1)S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000561	0	40	-1.0	-48.89	342.48	5.52	-43.37
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008000562	0	35	-1.0	-47.59	287.91	2.86	-44.73
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008000563	0	34	-1.0	-52.96	299.26	4.01	-48.95
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008000564	0	41	-1.0	-53.75	356.84	5.53	-48.22
CC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300008000565	0	35	-1.0	-46.64	317.57	5.07	-41.57
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008000566	0	35	-1.0	-48.27	335.96	4.29	-43.98
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008000567	0	38	-1.0	-55.67	327.98	5.14	-50.53
CC1=NN(C)C2=NC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C12	REAL300008000568	0	37	-1.0	-54.11	329.47	3.28	-50.83
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000569	0	36	-1.0	-51.92	331.79	4.15	-47.77
CC1(C)CC2=CC=CC(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])=C2O1	REAL300008000570	0	40	-1.0	-52.43	326.38	4.61	-47.82
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=CC=C1Cl	REAL300008000571	0	32	-1.0	-53.29	300.37	4.70	-48.59
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300008000572	0	41	-1.0	-60.71	359.74	2.05	-58.66
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008000573	0	36	-1.0	-48.64	332.91	4.06	-44.58
COC1=CC(OC)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1Br	REAL300008000574	0	37	-1.0	-44.72	327.71	3.26	-41.46
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300008000575	0	42	-1.0	-51.47	385.45	5.57	-45.90
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008000576	0	37	-1.0	-51.69	325.15	4.19	-47.50
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008000577	0	32	-1.0	-51.76	313.95	5.15	-46.61
CC1CC2=CC(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])=CC=C2O1	REAL300008000578	0	37	-1.0	-51.75	319.98	4.16	-47.59
CCC1=CC=CC(CC)=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000579	0	41	-1.0	-48.99	320.24	6.75	-42.24
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000580	0	41	-1.0	-55.08	350.47	2.51	-52.57
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008000581	0	40	-1.0	-49.47	370.27	6.98	-42.49
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008000582	0	35	-1.0	-59.15	329.57	4.22	-54.93
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008000583	0	35	-1.0	-48.09	346.28	4.74	-43.35
CC1=NC(C2=CC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2)=CO1	REAL300008000584	0	38	-1.0	-57.96	339.54	2.62	-55.34
CN1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300008000585	0	32	-1.0	-49.99	304.33	2.58	-47.41
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008000586	0	37	-1.0	-51.01	316.84	4.18	-46.83
CC1=CC=C(N2C=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=N2)C=C1	REAL300008000587	0	39	-1.0	-50.96	345.12	5.33	-45.63
CC1CC2=CC(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300008000588	0	37	-1.0	-48.69	338.42	4.72	-43.97
CC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008000589	0	34	-1.0	-47.83	307.35	4.73	-43.10
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=N1	REAL300008000590	0	40	-1.0	-59.30	350.88	4.30	-55.00
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008000591	0	31	-1.0	-51.27	296.84	3.11	-48.16
CC1=CC2=CC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2C=C1	REAL300008000592	0	38	-1.0	-52.48	330.43	6.48	-46.00
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008000593	0	34	-1.0	-58.28	310.24	3.61	-54.67
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008000594	0	35	-1.0	-49.42	325.11	5.57	-43.85
CN1CCCC2=CC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C21	REAL300008000595	0	41	-1.0	-53.08	339.10	4.17	-48.91
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008000596	0	31	-1.0	-51.61	299.57	2.86	-48.75
COC1=CC=CC(OC)=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000597	0	37	-1.0	-55.48	317.12	4.06	-51.42
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000598	0	37	-1.0	-47.88	321.80	5.62	-42.26
CC1=CC=C(C)C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300008000599	0	37	-1.0	-64.12	315.87	6.67	-57.45
CC1=CC(C)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008000600	0	37	-1.0	-57.25	322.06	5.60	-51.65
COC1=CC=C(CCS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000601	0	39	-1.0	-50.86	337.89	4.35	-46.51
CC(C)(C)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])S1	REAL300008000602	0	38	-1.0	-51.67	336.14	5.20	-46.47
COC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC(OC)=C1	REAL300008000603	0	37	-1.0	-53.90	322.13	2.16	-51.74
CC1=CC2=C(C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-])OCO2	REAL300008000604	0	35	-1.0	-53.22	303.83	3.11	-50.11
COC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300008000605	0	33	-1.0	-48.20	308.65	3.41	-44.79
CN1C=NC2=CC(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])=CC=C21	REAL300008000606	0	35	-1.0	-54.63	311.42	4.89	-49.74
CC1=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008000607	0	37	-1.0	-60.38	316.75	5.31	-55.07
CC1=NC2=CC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2O1	REAL300008000608	0	34	-1.0	-54.24	306.80	1.21	-53.03
CCC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1CC	REAL300008000609	0	41	-1.0	-50.45	340.18	6.12	-44.33
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000610	0	37	-1.0	-47.43	321.18	5.91	-41.52
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000611	0	39	-1.0	-50.58	315.67	4.95	-45.63
NC1=NC=C(Cl)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000612	0	30	-1.0	-49.61	285.33	1.43	-48.18
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008000613	0	35	-1.0	-52.75	313.18	5.53	-47.22
CC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300008000614	0	35	-1.0	-48.37	310.17	4.89	-43.48
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008000615	0	36	-1.0	-51.48	319.12	3.31	-48.17
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008000616	0	42	-1.0	-51.55	363.94	5.11	-46.44
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300008000617	0	33	-1.0	-54.09	301.58	3.61	-50.48
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008000618	0	31	-1.0	-52.74	284.78	3.19	-49.55
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008000619	0	32	-1.0	-49.09	303.64	4.78	-44.31
CC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300008000620	0	32	-1.0	-48.12	298.59	4.66	-43.46
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008000621	0	35	-1.0	-52.35	311.24	4.54	-47.81
CC1=CSC(C2=CC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2)=N1	REAL300008000622	0	38	-1.0	-50.27	349.38	5.02	-45.25
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008000623	0	37	-1.0	-49.00	296.34	4.48	-44.52
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008000624	0	36	-1.0	-56.38	329.95	1.48	-54.90
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008000625	0	38	-1.0	-54.65	317.10	3.87	-50.78
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008000626	0	32	-1.0	-50.22	306.78	4.77	-45.45
CCCCCCCCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000627	0	54	-1.0	-49.19	443.47	8.48	-40.71
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000628	0	39	-1.0	-55.12	355.14	5.64	-49.48
CCC(C)OC1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000629	0	42	-1.0	-49.35	353.19	5.22	-44.13
COC(CS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-])C1CCCC1	REAL300008000630	0	42	-1.0	-49.64	338.81	3.74	-45.90
COC(CS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-])C1CCCCC1	REAL300008000631	0	45	-1.0	-48.15	355.65	4.43	-43.72
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008000632	0	43	-1.0	-56.00	380.61	6.90	-49.10
CCCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008000633	0	48	-1.0	-49.32	394.59	6.60	-42.72
CCC1=NC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300008000634	0	42	-1.0	-59.11	355.29	5.49	-53.62
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008000635	0	32	-1.0	-49.27	302.89	3.05	-46.22
CC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008000636	0	37	-1.0	-49.20	328.01	6.08	-43.12
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008000637	0	42	-1.0	-49.25	365.56	5.87	-43.38
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000638	0	32	-1.0	-49.76	306.45	2.24	-47.52
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008000639	0	40	-1.0	-49.73	363.75	7.65	-42.08
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008000640	0	39	-1.0	-55.18	329.24	6.96	-48.22
CC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300008000641	0	49	-1.0	-52.01	418.47	8.45	-43.56
CCC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C(C)C=C1OC	REAL300008000642	0	42	-1.0	-52.79	349.86	5.13	-47.66
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008000643	0	35	-1.0	-47.48	334.33	5.43	-42.05
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=N1	REAL300008000644	1	31	-1.0	-58.38	289.33	2.53	-55.85
CC1=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008000645	0	38	-1.0	-50.77	314.56	6.65	-44.12
CC(C)OC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=N1	REAL300008000646	0	38	-1.0	-50.96	332.31	2.09	-48.87
COC1=C(F)C=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000647	0	33	-1.0	-50.60	296.28	3.66	-46.94
CCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008000648	0	45	-1.0	-49.47	373.10	5.80	-43.67
CC(C)(C)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1F	REAL300008000649	0	41	-1.0	-52.99	341.35	5.80	-47.19
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008000650	0	48	-1.0	-50.33	388.74	8.07	-42.26
CN1N=C2CCCCC2=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000651	0	39	-1.0	-49.55	322.15	3.58	-45.97
CN1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300008000652	0	41	-1.0	-44.74	331.84	3.85	-40.89
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008000653	0	39	-1.0	-53.32	330.94	3.87	-49.45
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000654	0	32	-1.0	-51.60	290.69	2.19	-49.41
COC1=CC=C(F)C=C1CS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000655	0	36	-1.0	-52.13	321.47	3.70	-48.43
C=CCCC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000656	0	39	-1.0	-49.99	340.34	6.33	-43.66
CCCCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008000657	0	51	-1.0	-49.16	416.09	7.38	-41.78
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008000658	0	33	-1.0	-53.42	311.77	5.25	-48.17
CCCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300008000659	0	51	-1.0	-51.83	407.17	7.27	-44.56
CCCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1CC	REAL300008000660	0	45	-1.0	-49.49	377.69	6.06	-43.43
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000661	0	35	-1.0	-46.25	304.63	5.47	-40.78
CC1=CC(Br)=CC=C1CS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000662	0	35	-1.0	-48.92	324.27	5.61	-43.31
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008000663	0	33	-1.0	-49.97	309.27	5.16	-44.81
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000664	0	45	-1.0	-48.46	378.66	6.34	-42.12
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008000665	0	34	-1.0	-52.69	299.32	4.09	-48.60
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300008000666	0	44	-1.0	-51.73	393.73	7.49	-44.24
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008000667	0	39	-1.0	-48.50	326.55	3.82	-44.68
CC1(C)COC2=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=NN2C1	REAL300008000668	0	40	-1.0	-49.33	332.64	1.58	-47.75
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008000669	0	35	-1.0	-51.59	329.97	4.46	-47.13
CCCCCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008000670	0	54	-1.0	-49.21	437.59	8.16	-41.05
COC1=CC(C(C)C)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C	REAL300008000671	0	45	-1.0	-53.18	366.54	5.65	-47.53
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000672	0	39	-1.0	-56.05	335.59	4.88	-51.17
CCOCCOC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008000673	0	52	-1.0	-50.86	428.57	6.02	-44.84
CC1CC2=CC=CC(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])=C2O1	REAL300008000674	0	37	-1.0	-53.44	313.84	4.18	-49.26
CC(C)(C)C1=NC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])S1	REAL300008000675	0	37	-1.0	-49.03	331.80	3.21	-45.82
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008000676	0	35	-1.0	-53.21	315.30	4.12	-49.09
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000677	0	34	-1.0	-59.51	303.81	3.16	-56.35
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300008000678	0	33	-1.0	-56.78	312.69	3.87	-52.91
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008000679	0	32	-1.0	-54.36	301.97	4.98	-49.38
CC1=CC(C)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C)=C1F	REAL300008000680	0	38	-1.0	-51.78	314.71	5.71	-46.07
COC1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1OC	REAL300008000681	0	37	-1.0	-52.42	320.23	3.32	-49.10
CN1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300008000682	0	42	-1.0	-51.54	333.36	3.73	-47.81
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000683	0	41	-1.0	-48.63	344.02	4.23	-44.40
CCCCN1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C)=N1	REAL300008000684	0	41	-1.0	-51.67	351.06	4.28	-47.39
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008000685	0	33	-1.0	-53.81	302.38	3.13	-50.68
CN1N=NC2=C(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=CC=C21	REAL300008000686	0	34	-1.0	-66.57	301.48	1.98	-64.59
CC1=CC(C)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1Br	REAL300008000687	0	35	-1.0	-52.16	318.18	5.53	-46.63
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008000688	0	35	-1.0	-47.07	331.35	4.69	-42.38
CN1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300008000689	0	39	-1.0	-52.69	336.78	4.03	-48.66
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000690	0	47	-1.0	-53.02	379.05	7.64	-45.38
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008000691	0	35	-1.0	-46.22	334.34	5.43	-40.79
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008000692	0	39	-1.0	-48.73	337.47	4.18	-44.55
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008000693	0	33	-1.0	-51.87	298.73	4.44	-47.43
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008000694	0	40	-1.0	-52.17	361.74	6.28	-45.89
COC1=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008000695	0	38	-1.0	-64.72	330.31	4.84	-59.88
CC(C)(C)N1N=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000696	0	38	-1.0	-48.75	305.48	3.16	-45.59
CC(C)(C)N1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=N1	REAL300008000697	0	38	-1.0	-54.56	327.65	3.27	-51.29
CC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300008000698	0	34	-1.0	-46.42	315.80	3.44	-42.98
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008000699	0	32	-1.0	-47.83	308.28	4.62	-43.21
CCCC(=O)C1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000700	0	40	-1.0	-53.05	349.46	5.65	-47.40
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008000701	0	40	-1.0	-52.78	333.59	6.70	-46.08
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008000702	0	35	-1.0	-49.24	325.53	4.57	-44.67
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=NOC2=C1COCC2	REAL300008000703	0	36	-1.0	-56.96	316.20	1.90	-55.06
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000704	0	39	-1.0	-49.55	359.34	4.31	-45.24
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008000705	0	29	-1.0	-47.92	284.20	4.00	-43.92
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008000706	0	39	-1.0	-51.77	329.89	3.97	-47.80
CCC(C)N1N=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000707	0	38	-1.0	-49.69	324.82	3.51	-46.18
CN(C1CCCCCC1)S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000708	0	43	-1.0	-47.40	332.06	4.50	-42.90
CN1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300008000709	0	43	-1.0	-51.86	361.02	2.86	-49.00
CC(F)(F)C1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000710	0	35	-1.0	-48.75	316.35	5.08	-43.67
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008000711	0	33	-1.0	-51.38	304.13	3.20	-48.18
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008000712	0	44	-1.0	-50.00	356.75	6.10	-43.90
CC1=CC(C)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300008000713	0	40	-1.0	-60.34	334.58	5.84	-54.50
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008000714	0	37	-1.0	-47.60	318.65	3.66	-43.94
CCOCC1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000715	0	39	-1.0	-52.70	340.07	4.23	-48.47
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008000716	0	32	-1.0	-51.20	322.42	5.54	-45.66
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000717	0	39	-1.0	-52.45	342.79	4.74	-47.71
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008000718	0	42	-1.0	-53.80	351.25	4.56	-49.24
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008000719	0	40	-1.0	-50.95	353.54	6.46	-44.49
CC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300008000720	0	35	-1.0	-48.55	320.84	5.29	-43.26
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008000721	0	32	-1.0	-51.20	322.42	5.54	-45.66
CC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008000722	0	38	-1.0	-54.20	321.86	6.44	-47.76
CN1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008000723	0	39	-1.0	-54.63	339.76	5.16	-49.47
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008000724	0	33	-1.0	-53.31	316.33	5.35	-47.96
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008000725	0	33	-1.0	-50.18	316.32	5.35	-44.83
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CCC1NC(=O)NC1=O	REAL300008000726	0	34	-1.0	-53.72	306.33	-2.50	-56.22
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008000727	0	31	-1.0	-57.12	295.80	3.01	-54.11
CC1=NC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008000728	0	38	-1.0	-57.68	337.20	2.81	-54.87
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008000729	0	46	-1.0	-49.36	340.14	6.44	-42.92
CS(=O)(=O)CCCCS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000730	0	37	-1.0	-60.60	333.63	0.38	-60.22
CC1(C)CCC(CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])OC1	REAL300008000731	0	42	-1.0	-52.49	337.85	3.69	-48.80
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008000732	0	33	-1.0	-52.60	312.85	2.66	-49.94
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008000733	0	39	-1.0	-50.34	346.78	6.48	-43.86
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008000734	0	38	-1.0	-51.07	315.86	0.93	-50.14
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008000735	0	42	-1.0	-48.73	330.71	5.55	-43.18
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008000736	0	33	-1.0	-52.61	308.67	4.95	-47.66
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])=CC=C21	REAL300008000737	0	51	-1.0	-50.78	392.68	7.71	-43.07
COC1=CC=C(C=C(C)S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000738	0	40	-1.0	-50.74	335.54	4.40	-46.34
COC1=CSC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1OC	REAL300008000739	0	34	-1.0	-50.28	314.70	2.38	-47.90
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008000740	0	41	-1.0	-50.02	323.36	4.01	-46.01
CN(CCC1=CC=CC=C1)S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000741	0	40	-1.0	-48.54	343.30	5.44	-43.10
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008000742	0	33	-1.0	-51.43	311.83	4.31	-47.12
COC1=CC(F)=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(F)=C1	REAL300008000743	0	33	-1.0	-52.99	301.13	3.12	-49.87
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008000744	0	33	-1.0	-49.79	310.35	3.27	-46.52
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000745	0	35	-1.0	-52.34	307.53	3.49	-48.85
CN1C=CC2=CC(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)[O-])=CC=C21	REAL300008000746	0	36	-1.0	-56.46	316.86	5.31	-51.15
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008000747	0	38	-1.0	-49.73	343.73	4.11	-45.62
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000748	0	42	-1.0	-50.18	356.87	5.97	-44.21
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008000749	0	40	-1.0	-50.09	351.87	6.40	-43.69
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000750	0	35	-1.0	-54.94	301.77	5.63	-49.31
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008000751	0	30	-1.0	-52.74	299.95	2.49	-50.25
C=C(C)COC1=CC=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000752	0	40	-1.0	-50.49	348.21	5.23	-45.26
CCN1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300008000753	0	39	-1.0	-51.01	322.15	3.64	-47.37
CC1=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300008000754	0	33	-1.0	-48.83	295.76	2.63	-46.20
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008000755	0	35	-1.0	-49.37	325.77	6.33	-43.04
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008000756	0	39	-1.0	-51.24	355.78	7.56	-43.68
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008000757	0	28	-1.0	-45.36	290.47	1.52	-43.84
CCC1=CC(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=CC=C1Br	REAL300008000758	0	35	-1.0	-48.53	323.91	5.50	-43.03
CC1=NN(C2CCCC2)C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000759	0	42	-1.0	-47.71	345.30	4.61	-43.10
COCCC1=CC=C(OC)C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000760	0	43	-1.0	-47.90	354.55	3.79	-44.11
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008000761	0	35	-1.0	-52.18	306.79	5.75	-46.43
CN1N=C2CCOCC2=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000762	0	37	-1.0	-52.57	313.81	1.21	-51.36
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300008000763	0	35	-1.0	-51.43	327.95	3.38	-48.05
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008000764	0	44	-1.0	-52.10	364.98	3.93	-48.17
COC1=NC=C(Cl)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000765	0	32	-1.0	-45.59	292.81	1.16	-44.43
COC1=NC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1C	REAL300008000766	0	35	-1.0	-48.52	310.47	0.97	-47.55
CC(C)CN1C=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=N1	REAL300008000767	0	38	-1.0	-54.60	330.53	3.65	-50.95
CC1=NN(C(C)C)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000768	0	38	-1.0	-51.48	328.98	3.21	-48.27
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008000769	0	39	-1.0	-53.31	318.08	0.75	-52.56
COCC1=CC(CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=NO1	REAL300008000770	0	35	-1.0	-51.42	317.47	1.43	-49.99
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008000771	0	34	-1.0	-51.92	318.05	5.87	-46.05
CC(C)(C)C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])N=C1	REAL300008000772	0	40	-1.0	-49.57	335.54	3.93	-45.64
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008000773	0	36	-1.0	-52.31	314.36	4.83	-47.48
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008000774	0	31	-1.0	-51.70	293.21	2.57	-49.13
CC1=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300008000775	0	38	-1.0	-56.36	329.56	3.37	-52.99
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300008000776	0	43	-1.0	-51.48	371.92	7.09	-44.39
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008000777	0	34	-1.0	-57.86	297.01	4.21	-53.65
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)N1CC=C(Br)CC1	REAL300008000778	0	32	-1.0	-47.61	291.08	3.10	-44.51
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000779	0	37	-1.0	-60.71	318.45	-0.74	-61.45
COC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C(F)F)=C1	REAL300008000780	0	36	-1.0	-52.72	312.47	4.32	-48.40
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000781	0	35	-1.0	-44.53	314.97	1.64	-42.89
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008000782	0	34	-1.0	-52.79	299.73	3.99	-48.80
CCOC1=CC=CN=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000783	0	35	-1.0	-58.58	305.49	2.93	-55.65
CC1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300008000784	0	37	-1.0	-54.60	307.25	4.94	-49.66
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008000785	0	31	-1.0	-53.01	288.72	2.74	-50.27
O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300008000786	0	36	-1.0	-57.12	330.37	4.25	-52.87
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300008000787	0	42	-1.0	-53.17	352.84	5.55	-47.62
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C=C1	REAL300008000788	0	39	-1.0	-53.80	360.82	6.05	-47.75
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)=C1	REAL300008000789	0	39	-1.0	-56.74	360.84	6.04	-50.70
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000790	0	42	-1.0	-63.57	375.47	6.94	-56.63
CC1=CC=C(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C=C1C(=O)[O-]	REAL300008000791	0	42	-1.0	-58.32	376.86	6.57	-51.75
O=C([O-])C1=C(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C=CS1	REAL300008000792	0	36	-1.0	-49.12	344.01	5.81	-43.31
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)=C1	REAL300008000793	0	39	-1.0	-56.74	360.84	6.04	-50.70
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C=C1	REAL300008000794	0	39	-1.0	-53.80	360.82	6.05	-47.75
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000795	0	39	-1.0	-51.87	350.16	6.91	-44.96
O=C([O-])C1=CC(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)=CN1	REAL300008000796	0	37	-1.0	-56.57	349.36	3.77	-52.80
O=C([O-])CN1C=C(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C=N1	REAL300008000797	0	39	-1.0	-52.63	365.41	4.15	-48.48
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)S1	REAL300008000798	0	36	-1.0	-52.92	353.11	5.17	-47.75
O=C([O-])C1=CNN=C1S(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000799	0	36	-1.0	-56.18	336.95	3.08	-53.10
O=C([O-])C1CCCN(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C1	REAL300008000800	0	44	-1.0	-52.23	376.26	5.05	-47.18
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O=C([O-])C1CCN(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)CC1	REAL300008000808	0	44	-1.0	-48.98	377.47	5.12	-43.86
O=C([O-])C1=CC=CC(CS(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)=C1	REAL300008000809	0	42	-1.0	-68.72	384.63	6.75	-61.97
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O=C([O-])CCCS(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000811	0	38	-1.0	-59.36	346.86	4.67	-54.69
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CC1=CC=CC(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)=C1C(=O)[O-]	REAL300008000813	0	42	-1.0	-55.70	377.49	7.09	-48.61
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CC1=C(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C=C(C(=O)[O-])O1	REAL300008000819	0	39	-1.0	-59.70	365.59	5.13	-54.57
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O=C([O-])CCCCCS(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000824	0	44	-1.0	-60.51	389.86	6.23	-54.28
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C=N1	REAL300008000825	0	38	-1.0	-55.92	356.70	4.25	-51.67
CC1=CC(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)=CC=C1C(=O)[O-]	REAL300008000826	0	42	-1.0	-53.20	376.85	6.58	-46.62
CN(CCC(=O)[O-])S(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000827	0	40	-1.0	-54.37	360.00	4.25	-50.12
O=C([O-])C1=CC=C(CS(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C=C1	REAL300008000828	0	42	-1.0	-65.81	384.62	6.76	-59.05
CC1=CC=C(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C=C1C(=O)[O-]	REAL300008000829	0	42	-1.0	-58.32	376.86	6.57	-51.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000830	0	42	-1.0	-63.57	375.47	6.94	-56.63
O=C([O-])CC1(CS(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)CC1	REAL300008000831	0	42	-1.0	-52.80	371.19	5.92	-46.88
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)=C1	REAL300008000832	0	42	-1.0	-57.17	383.01	6.81	-50.36
CCC1=C(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C=C(C(=O)[O-])O1	REAL300008000833	0	42	-1.0	-59.42	385.18	5.95	-53.47
CC1=NC=C(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C=C1C(=O)[O-]	REAL300008000834	0	41	-1.0	-52.20	372.28	4.76	-47.44
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000835	0	39	-1.0	-57.94	352.82	4.38	-53.56
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)=C1	REAL300008000836	0	39	-1.0	-56.25	363.57	5.00	-51.25
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O=C([O-])C1(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)CCC1	REAL300008000838	0	39	-1.0	-45.44	345.65	5.25	-40.19
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O=C([O-])C1=CC=NC(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)=C1	REAL300008000841	0	38	-1.0	-52.35	357.06	4.15	-48.20
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O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C1	REAL300008000847	0	42	-1.0	-62.16	367.89	5.76	-56.40
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O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000849	0	39	-1.0	-62.23	357.49	5.37	-56.86
O=C([O-])C1CCCCN1S(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000850	0	44	-1.0	-53.69	367.86	6.11	-47.58
O=C([O-])C1=CC(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)=NN1	REAL300008000851	0	36	-1.0	-48.63	344.33	2.28	-46.35
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000852	0	41	-1.0	-48.31	362.88	4.74	-43.57
O=C([O-])C1=CNN=C1S(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000853	0	36	-1.0	-56.18	336.95	3.08	-53.10
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000854	0	39	-1.0	-65.69	341.20	5.78	-59.91
CC1=CC(S(=O)(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)=CN=C1C(=O)[O-]	REAL300008000855	0	41	-1.0	-55.76	373.52	4.79	-50.97
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000856	0	42	-1.0	-61.45	373.26	7.21	-54.24
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCCC1=CNC2=CC(F)=C(F)C=C12	REAL300008000857	0	38	-1.0	-46.80	345.70	5.11	-41.69
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000858	0	37	-1.0	-52.40	336.87	6.36	-46.04
C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000859	0	37	-1.0	-56.72	336.95	6.35	-50.37
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000860	0	40	-1.0	-57.66	353.37	7.34	-50.32
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000861	0	41	-1.0	-59.10	353.35	6.23	-52.87
CC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300008000862	0	40	-1.0	-57.68	356.98	7.00	-50.68
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000863	0	34	-1.0	-47.10	321.13	6.17	-40.93
C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000864	0	37	-1.0	-56.72	336.95	6.35	-50.37
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000865	0	37	-1.0	-52.40	336.87	6.36	-46.04
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000866	0	37	-1.0	-50.01	327.11	7.23	-42.78
C[C@@H](NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000867	0	35	-1.0	-54.66	325.47	4.05	-50.61
C[C@@H](NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000868	0	37	-1.0	-51.93	341.53	4.45	-47.48
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000869	0	34	-1.0	-50.01	328.91	5.51	-44.50
C[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000870	0	34	-1.0	-60.41	319.30	3.39	-57.02
C[C@@H](NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000871	0	42	-1.0	-52.97	356.41	5.77	-47.20
C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000872	0	42	-1.0	-55.82	355.37	5.74	-50.08
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000873	0	37	-1.0	-50.01	327.11	7.23	-42.78
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000874	0	37	-1.0	-43.95	343.82	7.75	-36.20
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000875	0	34	-1.0	-50.88	322.70	4.79	-46.09
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300008000876	0	37	-1.0	-52.37	340.90	5.26	-47.11
C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000877	0	36	-1.0	-55.66	322.22	4.97	-50.69
C[C@@H](NS(=O)(=O)N1CCCC1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000878	0	39	-1.0	-45.10	329.13	5.08	-40.02
C[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000879	0	40	-1.0	-62.95	359.90	7.07	-55.88
C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000880	0	42	-1.0	-55.82	355.37	5.74	-50.08
C[C@@H](NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000881	0	40	-1.0	-62.87	359.90	7.06	-55.81
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000882	0	34	-1.0	-50.88	322.70	4.79	-46.09
C[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000883	0	41	-1.0	-52.53	367.95	6.64	-45.89
C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000884	0	36	-1.0	-55.66	322.22	4.97	-50.69
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000885	0	34	-1.0	-52.98	329.91	5.42	-47.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)=C1C	REAL300008000886	0	43	-1.0	-58.83	370.13	7.84	-50.99
CC1=CC=CC(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)=C1C(=O)[O-]	REAL300008000887	0	40	-1.0	-53.58	354.97	7.43	-46.15
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300008000888	0	44	-1.0	-54.62	391.97	6.06	-48.56
C[C@@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000889	0	34	-1.0	-52.46	328.57	5.38	-47.08
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000890	0	40	-1.0	-51.73	347.24	7.14	-44.59
C[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000891	0	40	-1.0	-52.42	359.04	7.14	-45.28
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000892	0	34	-1.0	-52.06	322.89	4.53	-47.53
C[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000893	0	40	-1.0	-55.48	359.11	7.12	-48.36
CC1=C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300008000894	0	37	-1.0	-55.60	341.68	5.50	-50.10
C[C@@H](NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000895	0	36	-1.0	-48.52	332.04	4.56	-43.96
C[C@@H](NS(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000896	0	33	-1.0	-51.71	315.44	4.61	-47.10
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000897	0	33	-1.0	-56.11	319.12	4.11	-52.00
C[C@@H](NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000898	0	36	-1.0	-53.99	324.20	5.45	-48.54
C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000899	0	42	-1.0	-57.64	365.21	6.54	-51.10
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000900	0	36	-1.0	-54.15	332.77	4.53	-49.62
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000901	0	37	-1.0	-48.71	353.64	6.86	-41.85
COC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300008000902	0	41	-1.0	-62.40	364.18	6.43	-55.97
CC1=CC(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300008000903	0	40	-1.0	-51.93	352.87	6.89	-45.04
C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000904	0	38	-1.0	-53.57	338.45	4.63	-48.94
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300008000905	0	44	-1.0	-54.62	391.97	6.06	-48.56
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000906	0	37	-1.0	-48.71	353.64	6.86	-41.85
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N[C@H](C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000907	0	37	-1.0	-51.56	338.94	6.86	-44.70
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000908	0	40	-1.0	-52.49	367.28	7.74	-44.75
C[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000909	0	40	-1.0	-62.95	359.90	7.07	-55.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000910	0	41	-1.0	-59.10	353.35	6.23	-52.87
CC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300008000911	0	40	-1.0	-57.68	356.98	7.00	-50.68
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000912	0	40	-1.0	-57.66	353.37	7.34	-50.32
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000913	0	41	-1.0	-47.57	371.77	6.44	-41.13
C[C@@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000914	0	40	-1.0	-49.70	347.19	6.24	-43.46
C[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000915	0	40	-1.0	-55.48	359.11	7.12	-48.36
COC1=C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)SC(C(=O)[O-])=C1	REAL300008000916	0	38	-1.0	-50.06	363.04	4.84	-45.22
C[C@@H](NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000917	0	42	-1.0	-54.95	373.73	7.03	-47.92
C[C@@H](NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000918	0	44	-1.0	-57.47	383.03	8.24	-49.23
CCC1=C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)C=C(C(=O)[O-])O1	REAL300008000919	0	40	-1.0	-55.21	362.04	6.30	-48.91
C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000920	0	39	-1.0	-45.60	355.22	7.89	-37.71
C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000921	0	39	-1.0	-39.52	355.35	7.90	-31.62
CC1=NC=C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300008000922	0	39	-1.0	-47.84	348.32	5.07	-42.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@H](C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000923	0	41	-1.0	-51.79	353.37	6.24	-45.55
COC1=CC(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300008000924	0	41	-1.0	-57.82	364.14	6.44	-51.38
COC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)C(CC(=O)[O-])=C1	REAL300008000925	0	44	-1.0	-59.59	380.12	6.92	-52.67
C[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000926	0	40	-1.0	-54.90	364.51	7.18	-47.72
C[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000927	0	46	-1.0	-54.44	391.78	8.03	-46.41
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000928	0	37	-1.0	-49.30	327.47	4.57	-44.73
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300008000929	0	37	-1.0	-51.62	340.63	5.40	-46.22
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000930	0	37	-1.0	-54.97	349.41	6.75	-48.22
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000931	0	34	-1.0	-61.28	320.18	5.00	-56.28
C[C@@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000932	0	37	-1.0	-45.18	323.05	5.70	-39.48
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300008000933	0	41	-1.0	-48.19	356.47	6.55	-41.64
C[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000934	0	34	-1.0	-60.41	319.30	3.39	-57.02
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000935	0	37	-1.0	-49.30	327.47	4.57	-44.73
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000937	0	44	-1.0	-55.88	384.93	6.59	-49.29
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000938	0	36	-1.0	-51.75	337.31	4.53	-47.22
C[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000939	0	40	-1.0	-57.99	349.89	7.50	-50.49
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000940	0	34	-1.0	-48.88	337.54	5.08	-43.80
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000941	0	44	-1.0	-58.26	374.40	7.11	-51.15
COC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)C(C(=O)[O-])=C1	REAL300008000942	0	41	-1.0	-51.09	356.45	6.53	-44.56
C[C@@H](NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000943	0	36	-1.0	-56.21	332.98	4.59	-51.62
C[C@@H](NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000944	0	34	-1.0	-46.28	321.28	2.63	-43.65
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000945	0	37	-1.0	-56.77	338.53	4.07	-52.70
C[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000946	0	37	-1.0	-56.94	325.78	5.47	-51.47
C[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000947	0	40	-1.0	-58.75	340.95	5.97	-52.78
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300008000948	0	37	-1.0	-52.95	347.99	6.12	-46.83
C[C@@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000949	0	40	-1.0	-58.63	350.61	7.58	-51.05
C[C@@H](NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000950	0	40	-1.0	-63.66	369.13	5.03	-58.63
C[C@@H](NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000951	0	40	-1.0	-47.51	363.63	7.51	-40.00
C[C@@H](NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000952	0	37	-1.0	-57.77	332.85	5.69	-52.08
C[C@@H](NS(=O)(=O)N1CCCCC1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000953	0	42	-1.0	-51.58	342.21	6.53	-45.05
C[C@@H](NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000954	0	34	-1.0	-46.28	321.28	2.63	-43.65
C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000955	0	39	-1.0	-45.07	328.96	5.09	-39.98
C[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000956	0	34	-1.0	-60.41	319.30	3.39	-57.02
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000957	0	34	-1.0	-42.27	338.10	6.79	-35.48
C[C@@H](NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000958	0	37	-1.0	-59.85	315.93	6.06	-53.79
CC1=CC(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)=CN=C1C(=O)[O-]	REAL300008000959	0	39	-1.0	-55.36	349.53	5.11	-50.25
C[C@@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000960	0	40	-1.0	-58.63	350.61	7.58	-51.05
CCOC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=C([N+](=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300008000961	0	44	-1.0	-59.37	386.04	7.34	-52.03
C[C@@H](NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000962	0	44	-1.0	-52.00	382.35	8.24	-43.76
C[C@@H](NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000963	0	36	-1.0	-44.56	322.73	5.44	-39.12
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H]2CCO[C@H]2C1	REAL300008000964	0	37	-1.0	-54.70	300.43	4.01	-50.69
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H]2CCO[C@H]2C1	REAL300008000965	0	38	-1.0	-57.27	316.91	3.39	-53.88
CC1=CC=C(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)C=C1C(=O)[O-]	REAL300008000966	0	37	-1.0	-58.00	313.34	4.15	-53.85
O=C([O-])C1=C(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)C=CS1	REAL300008000967	0	31	-1.0	-52.38	270.45	2.83	-49.55
O=C([O-])CN1C=C(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)C=N1	REAL300008000968	0	34	-1.0	-52.09	298.04	1.65	-50.44
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)S1	REAL300008000969	0	31	-1.0	-47.38	285.71	2.64	-44.74
O=C([O-])C1CCCN(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)C1	REAL300008000970	0	39	-1.0	-51.84	311.69	2.69	-49.15
O=C([O-])C1CCN(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)CC1	REAL300008000971	0	39	-1.0	-52.20	310.43	2.63	-49.57
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@H]2CCO[C@H]2C1	REAL300008000972	0	34	-1.0	-57.81	301.92	5.24	-52.57
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)O1	REAL300008000973	0	34	-1.0	-50.70	296.55	2.35	-48.35
O=C([O-])C1=CC=C(CS(=O)(=O)N2C[C@H]3CCO[C@H]3C2)C=C1	REAL300008000974	0	37	-1.0	-58.64	317.18	4.25	-54.39
O=C([O-])C1CCN(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)CC1	REAL300008000975	0	39	-1.0	-52.20	310.43	2.63	-49.57
O=C([O-])C1=CC=CC(CS(=O)(=O)N2C[C@H]3CCO[C@H]3C2)=C1	REAL300008000976	0	37	-1.0	-59.64	317.28	4.23	-55.41
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)C=C1	REAL300008000977	0	38	-1.0	-49.06	324.54	3.81	-45.25
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1C[C@H]2CCO[C@H]2C1	REAL300008000978	0	38	-1.0	-45.51	328.54	4.54	-40.97
O=C([O-])C1=CSC(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)=C1	REAL300008000979	0	31	-1.0	-49.20	286.15	2.54	-46.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)=C1C	REAL300008000980	0	40	-1.0	-60.02	317.80	4.53	-55.49
CC1=CC=CC(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)=C1C(=O)[O-]	REAL300008000981	0	37	-1.0	-69.37	306.39	4.42	-64.95
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)=C1	REAL300008000982	0	41	-1.0	-57.75	348.62	3.23	-54.52
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)=CS1	REAL300008000983	0	31	-1.0	-54.56	285.32	2.55	-52.01
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@H]2CCO[C@H]2C1	REAL300008000984	0	37	-1.0	-55.54	320.15	5.54	-50.00
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1C[C@H]2CCO[C@H]2C1	REAL300008000985	0	37	-1.0	-51.30	295.28	3.87	-47.43
O=C([O-])C1=C(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)C2=CC=CC=C2S1	REAL300008000986	0	37	-1.0	-66.62	312.49	5.81	-60.81
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)C=C1	REAL300008000987	0	37	-1.0	-49.97	315.64	4.30	-45.67
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)C=C1[N+](=O)[O-]	REAL300008000988	0	39	-1.0	-42.41	331.75	4.55	-37.86
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)=C1	REAL300008000989	0	37	-1.0	-51.71	315.67	4.28	-47.43
CC1=C(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)C=C(C(=O)[O-])O1	REAL300008000990	0	34	-1.0	-52.43	290.83	2.47	-49.96
O=C([O-])C1=NSC=C1S(=O)(=O)N1C[C@H]2CCO[C@H]2C1	REAL300008000991	0	30	-1.0	-56.69	264.99	1.26	-55.43
O=C([O-])C1=C(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)SC=N1	REAL300008000992	0	30	-1.0	-58.48	268.47	0.95	-57.53
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)=C1	REAL300008000993	0	34	-1.0	-46.56	310.09	4.02	-42.54
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)=C1	REAL300008000994	0	34	-1.0	-46.53	314.65	4.13	-42.40
COC1=CC=C(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)C=C1C(=O)[O-]	REAL300008000995	0	38	-1.0	-57.71	320.78	3.59	-54.12
CC1=CC(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)=CC=C1C(=O)[O-]	REAL300008000996	0	37	-1.0	-50.71	313.55	4.16	-46.55
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3C[C@H]4CCO[C@H]4C3)C=CC=C21	REAL300008000997	0	39	-1.0	-53.91	320.02	3.62	-50.29
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)=C1	REAL300008000998	0	41	-1.0	-57.75	348.62	3.23	-54.52
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2C[C@H]3CCO[C@H]3C2)=C1	REAL300008000999	0	34	-1.0	-46.56	310.09	4.02	-42.54
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1C[C@H]2CCO[C@H]2C1	REAL300008001000	0	34	-1.0	-55.50	288.32	3.78	-51.72
CC1=C(Br)C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008002275	0	30	-1.0	-46.16	307.55	4.14	-42.02
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002276	0	36	-1.0	-50.20	333.06	2.37	-47.83
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C	REAL300008002277	0	36	-1.0	-48.44	334.09	-0.57	-49.01
O=C([O-])[C@@H](F)CNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008002278	0	43	-1.0	-44.36	329.84	4.03	-40.33
CC1=NC2=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=CC=C2C=C1	REAL300008002279	0	33	-1.0	-54.89	295.51	4.02	-50.87
O=C([O-])[C@@H](F)CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008002280	0	33	-1.0	-56.94	307.54	4.23	-52.71
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300008002281	0	43	-1.0	-50.53	384.81	4.93	-45.60
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008002282	0	36	-1.0	-48.22	319.92	0.88	-47.34
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002283	0	39	-1.0	-51.36	356.79	3.48	-47.88
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002284	0	39	-1.0	-48.46	350.51	3.58	-44.88
COCCOCCOCCS(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002285	0	39	-1.0	-50.18	351.23	-0.34	-50.52
CC(COC1CCCC1)CS(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002286	0	41	-1.0	-47.20	343.58	3.70	-43.50
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300008002287	0	40	-1.0	-50.16	357.54	3.73	-46.43
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002288	0	32	-1.0	-45.15	310.57	2.63	-42.52
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(OC)=C1	REAL300008002289	0	43	-1.0	-50.50	379.76	0.57	-49.93
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008002290	0	33	-1.0	-46.21	300.40	0.07	-46.14
COC1=CC(Br)=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002291	0	29	-1.0	-45.31	293.16	2.25	-43.06
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008002292	0	29	-1.0	-42.96	279.44	2.51	-40.45
COC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008002293	0	31	-1.0	-46.27	298.30	3.08	-43.19
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002294	0	31	-1.0	-44.13	297.42	4.15	-39.98
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002295	0	31	-1.0	-46.91	295.79	4.23	-42.68
CC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C1C(F)(F)F	REAL300008002296	0	31	-1.0	-43.90	296.79	3.84	-40.06
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008002297	0	32	-1.0	-49.13	306.71	2.87	-46.26
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1C	REAL300008002298	0	52	-1.0	-47.89	430.27	6.90	-40.99
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1F	REAL300008002299	0	39	-1.0	-47.11	353.83	0.27	-46.84
O=C([O-])[C@@H](F)CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008002300	0	33	-1.0	-51.28	315.82	4.51	-46.77
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008002301	0	28	-1.0	-48.75	287.41	3.67	-45.08
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=CC=CC=C1Br	REAL300008002302	0	28	-1.0	-47.47	282.91	3.61	-43.86
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008002303	0	32	-1.0	-57.34	307.00	0.20	-57.14
CC1=CC(Br)=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002304	0	28	-1.0	-45.73	285.06	3.61	-42.12
CC1=C(Br)C=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002305	0	28	-1.0	-44.70	275.40	3.75	-40.95
COC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C1Br	REAL300008002306	0	29	-1.0	-44.77	292.29	2.30	-42.47
COC1=CC(OC)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1Cl	REAL300008002307	0	33	-1.0	-45.96	308.76	2.04	-43.92
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008002308	0	28	-1.0	-51.84	286.31	1.40	-50.44
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008002309	0	28	-1.0	-51.66	280.28	1.23	-50.43
CC1(C)CC2=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C2O1	REAL300008002310	0	36	-1.0	-46.06	319.80	3.58	-42.48
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008002311	0	28	-1.0	-52.89	276.75	1.33	-51.56
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002312	0	36	-1.0	-50.88	295.75	0.46	-50.42
CC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1I	REAL300008002313	0	28	-1.0	-46.33	288.12	3.98	-42.35
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002314	0	37	-1.0	-52.49	346.01	1.55	-50.94
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002315	0	42	-1.0	-49.75	379.15	2.05	-47.70
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002316	0	42	-1.0	-55.61	385.65	0.85	-54.76
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1F	REAL300008002317	0	33	-1.0	-48.63	321.72	-0.89	-49.52
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])S1	REAL300008002318	0	39	-1.0	-53.18	377.67	-0.04	-53.22
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(OC)=C1	REAL300008002319	0	40	-1.0	-50.49	357.85	-0.23	-50.72
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(F)=C1	REAL300008002320	0	39	-1.0	-50.78	357.13	0.49	-50.29
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002321	0	39	-1.0	-49.92	361.91	0.13	-49.79
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002322	0	36	-1.0	-55.56	321.90	2.27	-53.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1F	REAL300008002323	0	39	-1.0	-47.51	364.69	0.79	-46.72
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300008002324	0	40	-1.0	-54.08	342.44	2.79	-51.29
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1F	REAL300008002325	0	36	-1.0	-47.62	342.78	-0.00	-47.62
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008002326	0	40	-1.0	-50.32	356.10	2.77	-47.55
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008002327	0	37	-1.0	-53.78	315.62	1.12	-52.66
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002328	0	34	-1.0	-52.41	324.93	0.76	-51.65
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002329	0	35	-1.0	-54.40	323.97	-0.31	-54.71
CCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1Br	REAL300008002330	0	32	-1.0	-44.73	314.54	3.23	-41.50
COC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300008002331	0	39	-1.0	-49.14	350.54	5.39	-43.75
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008002332	0	29	-1.0	-42.87	289.76	2.96	-39.91
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300008002333	0	31	-1.0	-46.89	323.22	0.46	-46.43
COC1=CC=C(Br)C(CS(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002334	0	32	-1.0	-49.16	312.29	2.92	-46.24
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C2S1	REAL300008002335	0	39	-1.0	-46.94	355.35	4.28	-42.66
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002336	0	32	-1.0	-45.68	302.75	3.36	-42.32
CC(C)N1N=CC2=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C21	REAL300008002337	0	37	-1.0	-47.78	333.06	3.86	-43.92
CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002338	0	32	-1.0	-53.66	306.20	-2.91	-56.57
CC1=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008002339	0	31	-1.0	-47.49	296.51	3.61	-43.88
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008002340	0	28	-1.0	-45.67	298.40	4.27	-41.40
CC1=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008002341	0	31	-1.0	-43.72	304.48	5.03	-38.69
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008002342	0	28	-1.0	-48.80	285.55	3.74	-45.06
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008002343	0	31	-1.0	-49.19	300.04	5.20	-43.99
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008002344	0	31	-1.0	-47.20	303.74	4.12	-43.08
O=C([O-])[C@@H](F)CNS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008002345	0	36	-1.0	-49.64	323.50	3.70	-45.94
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008002346	0	39	-1.0	-48.11	349.49	5.73	-42.38
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002347	0	38	-1.0	-51.45	349.31	3.86	-47.59
O=C([O-])[C@@H](F)CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008002348	0	36	-1.0	-52.95	342.35	-0.59	-53.54
CC1=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008002349	0	34	-1.0	-47.65	313.42	5.33	-42.32
CC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1N(C)C	REAL300008002350	0	36	-1.0	-45.40	316.97	2.98	-42.42
O=C([O-])[C@@H](F)CNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300008002351	0	31	-1.0	-48.86	303.80	4.28	-44.58
COC1=CC(C)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1Cl	REAL300008002352	0	32	-1.0	-47.55	302.55	3.09	-44.46
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002353	0	34	-1.0	-59.43	327.22	0.57	-58.86
CSC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1Cl	REAL300008002354	0	29	-1.0	-44.66	297.57	3.80	-40.86
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002355	0	37	-1.0	-45.55	316.59	2.81	-42.74
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008002356	0	33	-1.0	-49.30	313.50	0.90	-48.40
CCC1=NOC2=NC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C12	REAL300008002357	0	32	-1.0	-46.06	303.60	0.04	-46.02
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008002358	0	36	-1.0	-46.48	339.29	2.16	-44.32
CN1N=CC2=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CN=C21	REAL300008002359	0	30	-1.0	-47.09	287.11	1.46	-45.63
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008002360	0	31	-1.0	-45.81	309.96	5.22	-40.59
CCC1=CC(CC)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(CC)=C1	REAL300008002361	0	43	-1.0	-44.77	342.24	6.93	-37.84
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002362	1	40	-1.0	-48.49	362.17	-0.40	-48.89
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008002363	0	31	-1.0	-44.80	311.37	0.43	-44.37
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008002364	0	34	-1.0	-54.52	308.81	6.10	-48.42
COC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C)=C1F	REAL300008002365	0	32	-1.0	-46.20	291.52	2.57	-43.63
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008002366	0	34	-1.0	-47.12	304.82	3.76	-43.36
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008002368	0	33	-1.0	-47.34	311.80	3.59	-43.75
COCC1=CC(Cl)=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002369	0	32	-1.0	-46.22	314.57	2.57	-43.65
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008002371	0	25	-1.0	-44.79	275.33	2.53	-42.26
O=C([O-])[C@@H](F)CNS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008002372	0	38	-1.0	-48.57	331.51	5.64	-42.93
CC(C)(C)C1=CC(CS(=O)(=O)NC[C@H](F)C(=O)[O-])=NO1	REAL300008002373	0	36	-1.0	-48.84	324.23	3.07	-45.77
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008002374	0	34	-1.0	-56.68	303.50	-0.48	-57.16
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008002375	0	28	-1.0	-47.26	278.54	2.78	-44.48
COC1=CC=C2C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])CCC2=C1	REAL300008002376	0	37	-1.0	-46.80	326.68	4.04	-42.76
CC(C)(CCS(=O)(=O)NC[C@H](F)C(=O)[O-])S(C)(=O)=O	REAL300008002377	0	36	-1.0	-59.84	315.59	-0.55	-60.39
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1CCCCC1(F)F	REAL300008002378	0	34	-1.0	-46.84	295.42	3.49	-43.35
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C12	REAL300008002379	0	40	-1.0	-51.74	366.14	5.61	-46.13
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C12	REAL300008002380	0	44	-1.0	-48.94	383.86	3.10	-45.84
CCC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008002381	0	33	-1.0	-51.88	304.75	4.16	-47.72
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008002382	0	25	-1.0	-43.99	264.05	2.96	-41.03
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002383	0	30	-1.0	-50.21	285.28	3.90	-46.31
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002384	0	32	-1.0	-45.95	306.18	3.71	-42.24
CC1=CC(C)=C(C)C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1C	REAL300008002385	0	37	-1.0	-45.19	303.34	4.91	-40.28
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002386	0	40	-1.0	-46.84	333.27	5.55	-41.29
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008002387	0	28	-1.0	-44.40	281.08	3.33	-41.07
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008002388	0	28	-1.0	-47.10	267.71	3.90	-43.20
COC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008002389	0	31	-1.0	-53.66	298.28	3.08	-50.58
CC(C)(C)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002390	0	37	-1.0	-45.71	318.55	4.65	-41.06
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300008002391	0	41	-1.0	-50.46	371.14	-0.10	-50.56
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002392	0	42	-1.0	-49.85	379.51	2.05	-47.80
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002393	0	36	-1.0	-50.19	337.92	0.33	-49.86
COC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1Br	REAL300008002394	0	29	-1.0	-45.10	292.27	2.30	-42.80
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300008002395	0	31	-1.0	-43.30	319.83	4.33	-38.97
CC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C1Br	REAL300008002396	0	28	-1.0	-44.09	282.26	3.52	-40.57
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C2)=C1	REAL300008002397	0	39	-1.0	-46.38	352.86	5.87	-40.51
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008002398	0	29	-1.0	-44.50	288.33	2.12	-42.38
CC1=C(C)C(C)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C)=C1C	REAL300008002399	0	40	-1.0	-45.91	316.63	5.36	-40.55
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008002400	0	34	-1.0	-49.34	305.60	2.28	-47.06
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002401	0	41	-1.0	-47.50	339.47	4.49	-43.01
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C21	REAL300008002402	0	32	-1.0	-49.12	318.20	4.71	-44.41
CC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008002403	0	30	-1.0	-51.16	289.25	3.63	-47.53
COC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002404	0	29	-1.0	-45.34	284.16	2.79	-42.55
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002405	0	43	-1.0	-44.40	341.26	6.02	-38.38
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008002406	0	28	-1.0	-44.09	281.10	3.32	-40.77
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008002407	0	35	-1.0	-46.12	305.49	4.82	-41.30
COC1=CC=C(OC)C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002408	0	33	-1.0	-48.26	292.34	1.45	-46.81
COC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1OC	REAL300008002409	0	33	-1.0	-47.06	301.09	1.54	-45.52
CC(C)CCC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002410	0	40	-1.0	-45.56	345.81	5.84	-39.72
CCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1OCC	REAL300008002411	0	39	-1.0	-47.94	345.20	3.38	-44.56
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002412	0	30	-1.0	-51.50	296.53	-2.71	-54.21
CC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300008002413	0	33	-1.0	-45.32	306.76	4.18	-41.14
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1C	REAL300008002414	0	33	-1.0	-49.38	302.01	4.43	-44.95
CC1=CC2=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C2N=C1	REAL300008002415	0	33	-1.0	-54.40	295.93	4.10	-50.30
COC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008002416	0	31	-1.0	-49.29	289.26	3.12	-46.17
COC1=CC(Cl)=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002417	0	29	-1.0	-45.16	279.61	2.69	-42.47
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002418	0	30	-1.0	-51.15	297.00	-2.71	-53.86
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008002419	0	37	-1.0	-50.41	351.77	0.19	-50.22
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002420	0	33	-1.0	-44.45	307.96	4.05	-40.40
O=C([O-])[C@@H](F)CNS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008002421	0	34	-1.0	-45.27	295.40	3.50	-41.77
CC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C2=CC=CN=C12	REAL300008002422	0	33	-1.0	-48.60	298.60	3.63	-44.97
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C	REAL300008002423	0	33	-1.0	-50.06	298.74	5.04	-45.02
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002424	0	36	-1.0	-50.00	337.10	0.37	-49.63
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008002425	0	37	-1.0	-51.96	328.29	1.66	-50.30
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002426	0	31	-1.0	-53.42	303.05	-0.15	-53.57
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008002427	0	35	-1.0	-44.40	298.19	5.44	-38.96
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008002428	0	35	-1.0	-47.13	316.95	5.75	-41.38
CN(C)C1=CC=CC2=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=CC=C12	REAL300008002429	0	39	-1.0	-47.42	336.78	4.54	-42.88
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008002430	0	26	-1.0	-52.40	261.11	0.73	-51.67
COC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002431	0	29	-1.0	-45.49	279.60	2.69	-42.80
CCC(C)(C)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002432	0	40	-1.0	-45.64	333.19	5.13	-40.51
CC(C)OC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002433	0	35	-1.0	-46.34	312.03	3.18	-43.16
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008002434	0	30	-1.0	-46.29	299.27	4.84	-41.45
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008002435	0	36	-1.0	-48.21	348.26	5.73	-42.48
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002436	0	31	-1.0	-44.99	291.10	2.84	-42.15
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008002437	0	36	-1.0	-45.53	347.77	5.70	-39.83
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C2)C=C1	REAL300008002438	0	40	-1.0	-46.72	360.52	4.47	-42.25
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C(C)C)=C1	REAL300008002439	0	52	-1.0	-44.94	401.18	8.38	-36.56
CC(C)OC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C2=CC=CC=C12	REAL300008002440	0	41	-1.0	-48.04	351.85	5.60	-42.44
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008002441	0	28	-1.0	-48.40	298.44	4.03	-44.37
COC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C2=CC=CC=C12	REAL300008002442	0	35	-1.0	-48.73	311.68	4.04	-44.69
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300008002443	0	43	-1.0	-49.83	379.42	2.36	-47.47
COC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300008002444	0	41	-1.0	-49.67	362.54	-0.02	-49.69
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002445	0	30	-1.0	-44.86	285.29	3.89	-40.97
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002446	0	30	-1.0	-46.01	279.77	3.74	-42.27
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002447	0	33	-1.0	-49.82	302.81	4.79	-45.03
CC(C)CC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002448	0	37	-1.0	-45.70	323.50	5.02	-40.68
COCCC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002449	0	35	-1.0	-46.34	319.32	2.85	-43.49
COCCN(CCOC)S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002450	0	37	-1.0	-44.38	316.72	-0.47	-44.85
COC1=C(C)C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C	REAL300008002451	0	35	-1.0	-46.12	316.34	3.22	-42.90
CC(C)CCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002452	0	41	-1.0	-45.26	354.66	4.66	-40.60
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008002453	0	39	-1.0	-45.26	337.01	4.55	-40.71
CC(C)COC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002454	0	38	-1.0	-45.32	335.70	4.06	-41.26
CCCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002455	0	35	-1.0	-45.39	315.19	3.35	-42.04
COC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1Cl	REAL300008002456	0	29	-1.0	-45.12	288.28	2.19	-42.93
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008002457	0	29	-1.0	-46.40	297.64	2.46	-43.94
CC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C1OC(C)C	REAL300008002458	0	38	-1.0	-45.58	332.11	3.93	-41.65
COCCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002459	0	36	-1.0	-47.38	327.32	1.83	-45.55
CC1=CC(Br)=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002460	0	28	-1.0	-44.25	278.36	3.84	-40.41
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1C	REAL300008002461	0	33	-1.0	-49.99	291.63	5.22	-44.77
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002462	0	34	-1.0	-52.89	318.17	0.76	-52.13
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008002463	0	37	-1.0	-49.98	351.78	0.19	-49.79
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002464	0	33	-1.0	-50.54	319.37	-1.49	-52.03
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002465	0	33	-1.0	-50.12	278.84	-0.37	-50.49
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008002466	0	28	-1.0	-46.63	268.37	3.22	-43.41
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008002467	0	35	-1.0	-47.14	316.57	5.74	-41.40
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008002468	0	28	-1.0	-46.93	299.98	4.07	-42.86
CC1=NC(C2=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])S2)=CS1	REAL300008002469	0	31	-1.0	-47.42	322.20	2.88	-44.54
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008002470	0	45	-1.0	-45.21	377.33	5.95	-39.26
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002471	0	33	-1.0	-53.55	295.93	4.11	-49.44
CNC(=O)C1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CN1C	REAL300008002472	0	33	-1.0	-49.56	306.54	-0.03	-49.59
COC1=CC(C)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C)=C1	REAL300008002473	0	35	-1.0	-45.83	297.91	3.12	-42.71
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008002474	0	36	-1.0	-47.85	326.58	6.45	-41.40
COC1=CC(C)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C	REAL300008002475	0	35	-1.0	-47.09	306.59	3.27	-43.82
CC1=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008002476	0	33	-1.0	-47.82	289.65	3.58	-44.24
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C2	REAL300008002477	0	38	-1.0	-51.49	342.59	6.17	-45.32
CCN1C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008002478	1	30	-1.0	-50.68	292.79	3.21	-47.47
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008002479	0	32	-1.0	-46.49	313.26	3.02	-43.47
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008002480	0	39	-1.0	-46.77	353.61	5.61	-41.16
CCC(=O)C1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002481	0	33	-1.0	-51.01	305.85	3.60	-47.41
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008002482	0	35	-1.0	-47.26	328.73	3.90	-43.36
CC(C)CCN(CCC(C)C)S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002483	0	47	-1.0	-46.09	377.27	5.20	-40.89
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002484	0	33	-1.0	-53.78	315.91	-0.96	-54.74
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300008002485	0	40	-1.0	-50.19	364.69	1.47	-48.72
CCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C2=CC=CC=C12	REAL300008002486	0	38	-1.0	-48.31	333.94	4.97	-43.34
CCOC1=CC=C(C)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002487	0	35	-1.0	-48.40	306.32	3.76	-44.64
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008002488	0	30	-1.0	-53.84	290.64	2.51	-51.33
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008002489	0	32	-1.0	-49.88	303.33	3.45	-46.43
CCOCCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002490	0	39	-1.0	-47.33	349.58	2.80	-44.53
CCCCCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002491	0	41	-1.0	-45.26	358.60	4.92	-40.34
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008002492	0	35	-1.0	-46.64	298.02	5.02	-41.62
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008002493	0	31	-1.0	-48.15	290.82	4.16	-43.99
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008002494	0	29	-1.0	-45.06	298.73	3.79	-41.27
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008002495	0	33	-1.0	-53.28	306.00	3.60	-49.68
O=C([O-])[C@@H](F)CNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008002496	0	31	-1.0	-54.09	286.72	-1.18	-55.27
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008002497	0	30	-1.0	-49.36	291.02	2.52	-46.84
CCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C)=C1	REAL300008002498	0	35	-1.0	-46.20	308.81	3.47	-42.73
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002499	0	33	-1.0	-54.29	318.96	-1.50	-55.79
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008002500	0	29	-1.0	-46.15	273.04	2.44	-43.71
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300008002501	0	43	-1.0	-54.04	379.88	2.33	-51.71
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008002502	0	31	-1.0	-49.82	304.84	4.05	-45.77
CCN(CC1=CC=CC=C1)S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002503	0	36	-1.0	-46.28	311.17	4.16	-42.12
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008002504	0	31	-1.0	-47.92	277.27	1.91	-46.01
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008002505	0	37	-1.0	-48.87	336.48	4.32	-44.55
CC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C(F)(F)F	REAL300008002506	0	31	-1.0	-47.34	296.79	3.85	-43.49
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008002507	0	31	-1.0	-49.51	312.91	3.27	-46.24
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008002508	0	34	-1.0	-49.60	307.17	3.93	-45.67
CC1=NN(C)C2=NC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C12	REAL300008002509	0	33	-1.0	-48.96	308.67	2.06	-46.90
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002510	0	32	-1.0	-49.27	311.42	2.95	-46.32
CC1(C)CC2=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C2O1	REAL300008002511	0	36	-1.0	-51.72	310.56	3.49	-48.23
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300008002512	0	37	-1.0	-61.41	339.35	0.84	-60.57
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008002513	0	32	-1.0	-47.37	312.11	2.85	-44.52
COC1=CC(OC)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1Br	REAL300008002514	0	33	-1.0	-45.95	313.14	2.15	-43.80
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300008002515	0	38	-1.0	-53.04	363.44	4.51	-48.53
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008002516	0	33	-1.0	-49.10	304.76	2.99	-46.11
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008002517	0	28	-1.0	-48.24	293.02	3.95	-44.29
CC1CC2=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C2O1	REAL300008002518	0	33	-1.0	-47.02	299.27	2.92	-44.10
CCC1=CC=CC(CC)=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002519	0	37	-1.0	-45.06	299.87	5.55	-39.51
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002520	0	37	-1.0	-51.20	330.15	1.25	-49.95
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008002521	0	36	-1.0	-47.81	347.76	5.68	-42.13
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008002522	0	31	-1.0	-47.45	309.20	3.00	-44.45
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008002523	0	31	-1.0	-49.12	322.83	3.72	-45.40
CC1=NC(C2=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C2)=CO1	REAL300008002524	0	34	-1.0	-49.30	319.16	1.41	-47.89
CN1C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300008002525	1	28	-1.0	-47.96	281.84	1.29	-46.67
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008002526	0	33	-1.0	-47.01	296.46	2.97	-44.04
CC1=CC=C(N2C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=N2)C=C1	REAL300008002527	0	35	-1.0	-47.65	324.33	4.12	-43.53
CC1CC2=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC(Cl)=C2O1	REAL300008002528	0	33	-1.0	-45.00	316.54	3.45	-41.55
CC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008002529	0	30	-1.0	-44.94	286.59	3.50	-41.44
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=N1	REAL300008002530	0	36	-1.0	-53.30	330.09	3.10	-50.20
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008002531	0	27	-1.0	-46.62	274.76	1.82	-44.80
CC1=CC2=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C2C=C1	REAL300008002532	0	34	-1.0	-47.52	310.06	5.27	-42.25
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008002533	0	30	-1.0	-54.46	289.87	2.41	-52.05
O=C([O-])[C@@H](F)CNS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008002534	0	31	-1.0	-47.41	304.33	4.36	-43.05
CN1CCCC2=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C21	REAL300008002535	0	37	-1.0	-47.47	316.58	2.88	-44.59
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008002536	0	27	-1.0	-46.22	277.09	1.56	-44.66
COC1=CC=CC(OC)=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002537	0	33	-1.0	-51.98	296.33	2.84	-49.14
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002538	0	33	-1.0	-45.26	301.02	4.42	-40.84
CC1=CC=C(C)C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1[N+](=O)[O-]	REAL300008002539	0	33	-1.0	-57.91	297.25	5.28	-52.63
CC1=CC(C)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008002540	0	33	-1.0	-50.08	301.50	4.42	-45.66
COC1=CC=C(CCS(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002541	0	35	-1.0	-48.73	317.52	3.15	-45.58
CC(C)(C)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])S1	REAL300008002542	0	34	-1.0	-46.38	315.35	3.98	-42.40
COC1=CC(OC)=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002543	0	33	-1.0	-48.61	301.34	0.94	-47.67
CC1=CC2=C(C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-])OCO2	REAL300008002544	0	31	-1.0	-47.51	283.05	1.90	-45.61
COC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C1Cl	REAL300008002545	0	29	-1.0	-44.83	288.31	2.20	-42.63
CN1C=NC2=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C21	REAL300008002546	0	31	-1.0	-51.58	290.62	3.67	-47.91
CC1=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008002547	0	33	-1.0	-55.60	296.16	4.14	-51.46
CC1=NC2=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C2O1	REAL300008002548	0	30	-1.0	-48.75	286.41	0.00	-48.75
CCC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1CC	REAL300008002549	0	37	-1.0	-45.89	319.81	4.90	-40.99
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002550	0	33	-1.0	-42.85	293.28	4.35	-38.50
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002551	0	35	-1.0	-48.00	301.74	3.90	-44.10
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008002552	0	31	-1.0	-48.98	272.32	3.51	-45.47
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008002553	0	32	-1.0	-49.08	298.74	2.09	-46.99
O=C([O-])[C@@H](F)CNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008002554	0	38	-1.0	-49.81	343.13	3.90	-45.91
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300008002555	0	29	-1.0	-52.06	280.80	2.39	-49.67
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008002556	0	27	-1.0	-52.14	267.10	2.10	-50.04
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008002557	0	31	-1.0	-55.50	290.47	3.32	-52.18
CC1=CSC(C2=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C2)=N1	REAL300008002558	0	34	-1.0	-48.05	328.60	3.80	-44.25
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008002559	0	33	-1.0	-48.72	286.11	3.52	-45.20
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008002560	0	32	-1.0	-53.26	307.88	0.20	-53.06
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008002561	0	34	-1.0	-48.76	304.51	2.69	-46.07
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008002562	0	28	-1.0	-47.57	286.40	3.57	-44.00
CCCCCCCCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002563	0	50	-1.0	-45.15	423.09	7.27	-37.88
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002564	0	35	-1.0	-46.35	327.70	4.51	-41.84
CCC(C)OC1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002565	0	38	-1.0	-46.42	332.78	4.00	-42.42
COC(CS(=O)(=O)NC[C@H](F)C(=O)[O-])C1CCCCC1	REAL300008002566	0	41	-1.0	-48.08	335.09	3.40	-44.68
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008002567	0	39	-1.0	-46.62	359.84	5.68	-40.94
CCCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C(C)C	REAL300008002568	0	44	-1.0	-45.23	373.80	5.38	-39.85
CCC1=NC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CN1CC1CC1	REAL300008002569	0	38	-1.0	-53.05	339.45	4.43	-48.62
CC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008002570	0	33	-1.0	-46.23	305.94	4.80	-41.43
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008002571	0	38	-1.0	-45.27	343.74	4.66	-40.61
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002572	0	28	-1.0	-44.27	282.95	0.99	-43.28
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008002573	0	36	-1.0	-49.05	342.99	6.42	-42.63
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008002574	0	35	-1.0	-50.19	308.45	5.75	-44.44
CC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300008002575	0	45	-1.0	-47.12	397.69	7.23	-39.89
CCC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C(C)C=C1OC	REAL300008002576	0	38	-1.0	-46.93	329.51	3.90	-43.03
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008002577	0	31	-1.0	-43.97	313.96	4.21	-39.76
CC1=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008002578	0	34	-1.0	-49.53	293.07	5.39	-44.14
CC(C)OC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=N1	REAL300008002579	0	34	-1.0	-44.97	311.93	0.89	-44.08
CCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C(C)C	REAL300008002580	0	41	-1.0	-45.46	352.71	4.59	-40.87
CC(C)(C)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1F	REAL300008002581	0	37	-1.0	-46.81	320.59	4.58	-42.23
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008002582	0	44	-1.0	-47.88	368.38	6.87	-41.01
CN1N=C2CCCCC2=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002583	0	35	-1.0	-45.01	301.73	2.37	-42.64
CN1C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C(C)(C)C)=N1	REAL300008002584	0	37	-1.0	-48.10	312.68	2.62	-45.48
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008002585	0	35	-1.0	-45.67	309.78	2.67	-43.00
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002586	0	28	-1.0	-45.97	267.58	0.98	-44.99
COC1=CC=C(F)C=C1CS(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002587	0	32	-1.0	-49.52	300.69	2.49	-47.03
C=CCCC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002588	0	35	-1.0	-45.69	319.96	5.12	-40.57
CCCCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C(C)C	REAL300008002589	0	47	-1.0	-45.08	395.72	6.17	-38.91
O=C([O-])[C@@H](F)CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008002590	0	29	-1.0	-45.69	290.99	4.03	-41.66
CCCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C(C)(C)C	REAL300008002591	0	47	-1.0	-46.21	386.78	6.05	-40.16
CCCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1CC	REAL300008002592	0	41	-1.0	-45.33	357.30	4.85	-40.48
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002593	0	31	-1.0	-42.98	285.18	4.33	-38.65
CC1=CC(Br)=CC=C1CS(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002594	0	31	-1.0	-46.52	301.74	4.31	-42.21
O=C([O-])[C@@H](F)CNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008002595	0	29	-1.0	-46.73	288.90	3.94	-42.79
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002596	0	41	-1.0	-49.38	360.39	5.23	-44.15
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C2)C=C1	REAL300008002597	0	40	-1.0	-46.15	371.22	6.19	-39.96
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008002598	0	35	-1.0	-44.95	305.80	2.61	-42.34
CC1(C)COC2=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=NN2C1	REAL300008002599	0	36	-1.0	-48.00	313.68	0.39	-47.61
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008002600	0	31	-1.0	-46.87	309.20	3.24	-43.63
CCCCCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C(C)C	REAL300008002601	0	50	-1.0	-45.02	417.22	6.95	-38.07
COC1=CC(C(C)C)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C	REAL300008002602	0	41	-1.0	-47.14	345.76	4.46	-42.68
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002603	0	35	-1.0	-45.83	306.34	3.70	-42.13
CCOCCOC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1C(C)C	REAL300008002604	0	48	-1.0	-47.09	408.19	4.81	-42.28
CC1CC2=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C2O1	REAL300008002605	0	33	-1.0	-50.85	293.46	2.95	-47.90
CC(C)(C)C1=NC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])S1	REAL300008002606	0	33	-1.0	-44.94	311.43	2.00	-42.94
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008002607	0	31	-1.0	-49.44	294.62	2.90	-46.54
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002608	0	30	-1.0	-55.77	284.10	1.91	-53.86
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300008002609	0	29	-1.0	-50.58	290.33	2.58	-48.00
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008002610	0	28	-1.0	-48.55	281.20	3.75	-44.80
CC1=CC(C)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C)=C1F	REAL300008002611	0	34	-1.0	-45.60	290.90	4.37	-41.23
COC1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1OC	REAL300008002612	0	33	-1.0	-50.59	290.01	2.14	-48.45
CN1C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C2CCCC2)=N1	REAL300008002613	0	38	-1.0	-48.89	317.26	2.62	-46.27
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002614	0	37	-1.0	-48.57	319.74	2.88	-45.69
CCCCN1C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C)=N1	REAL300008002615	0	37	-1.0	-47.68	330.31	3.07	-44.61
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008002616	0	29	-1.0	-48.56	282.00	1.92	-46.64
CN1N=NC2=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=CC=C21	REAL300008002617	0	30	-1.0	-62.25	281.04	0.76	-61.49
CC1=CC(C)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1Br	REAL300008002618	0	31	-1.0	-46.43	296.95	4.43	-42.00
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008002619	0	31	-1.0	-44.34	310.58	3.47	-40.87
CN1C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C2CCC2)=N1	REAL300008002620	0	35	-1.0	-48.56	300.20	2.13	-46.43
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002621	0	43	-1.0	-46.99	356.98	6.35	-40.64
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008002622	0	31	-1.0	-44.28	313.97	4.21	-40.07
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008002623	0	35	-1.0	-46.63	316.75	2.98	-43.65
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008002624	0	36	-1.0	-47.01	332.47	5.17	-41.84
COC1=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008002625	0	34	-1.0	-59.22	308.20	3.55	-55.67
CC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CN=C1C(F)(F)F	REAL300008002626	0	30	-1.0	-43.49	293.68	2.15	-41.34
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008002627	0	28	-1.0	-43.07	287.90	3.41	-39.66
CCCC(=O)C1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002628	0	36	-1.0	-50.72	327.34	4.37	-46.35
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008002629	0	36	-1.0	-46.87	312.39	5.37	-41.50
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008002630	0	31	-1.0	-45.37	304.82	3.36	-42.01
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=NOC2=C1COCC2	REAL300008002631	0	32	-1.0	-53.30	295.83	0.70	-52.60
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002632	0	35	-1.0	-45.41	338.55	3.10	-42.31
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008002633	0	25	-1.0	-45.42	261.98	2.76	-42.66
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008002634	0	35	-1.0	-46.17	308.82	2.88	-43.29
CN1C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C2CCOCC2)=N1	REAL300008002635	0	39	-1.0	-48.03	340.84	1.46	-46.57
CC(F)(F)C1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002636	0	31	-1.0	-45.89	295.98	3.87	-42.02
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008002637	0	29	-1.0	-47.18	281.60	1.91	-45.27
O=C([O-])[C@@H](F)CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008002638	0	40	-1.0	-45.49	337.87	5.01	-40.48
CC1=CC(C)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C2=NC=CC=C12	REAL300008002639	0	36	-1.0	-55.19	313.76	4.62	-50.57
O=C([O-])[C@@H](F)CNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008002640	0	33	-1.0	-45.24	297.65	2.44	-42.80
CCOCC1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002641	0	35	-1.0	-46.93	319.28	3.02	-43.91
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008002642	0	28	-1.0	-46.75	301.63	4.33	-42.42
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002643	0	35	-1.0	-46.74	321.42	3.57	-43.17
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008002644	0	38	-1.0	-47.98	328.74	3.28	-44.70
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008002645	0	36	-1.0	-45.94	331.43	5.19	-40.75
CC1=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC(C)=C1Br	REAL300008002646	0	31	-1.0	-44.30	300.06	4.08	-40.22
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008002647	0	28	-1.0	-46.75	301.63	4.33	-42.42
CC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C2=CC=CC=C12	REAL300008002648	0	34	-1.0	-49.28	301.06	5.23	-44.05
CN1C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008002649	0	35	-1.0	-47.75	310.06	3.25	-44.50
O=C([O-])[C@@H](F)CNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008002650	0	29	-1.0	-45.66	295.55	4.12	-41.54
O=C([O-])[C@@H](F)CNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008002651	0	29	-1.0	-46.14	295.55	4.13	-42.01
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008002652	0	27	-1.0	-47.18	273.70	1.73	-45.45
CC1=NC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008002653	0	34	-1.0	-52.22	316.62	1.53	-50.69
O=C([O-])[C@@H](F)CNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008002654	0	42	-1.0	-46.83	319.35	5.23	-41.60
CS(=O)(=O)CCCCS(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002655	0	33	-1.0	-58.25	313.23	-0.84	-59.09
O=C([O-])[C@@H](F)CNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008002656	0	29	-1.0	-54.33	290.33	1.38	-52.95
O=C([O-])[C@@H](F)CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008002657	0	35	-1.0	-48.70	324.29	5.20	-43.50
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C21	REAL300008002658	0	47	-1.0	-46.50	372.34	6.51	-39.99
COC1=CC=C(C=C(C)S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002659	0	36	-1.0	-47.25	316.39	3.33	-43.92
COC1=CSC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1OC	REAL300008002660	0	30	-1.0	-46.83	291.55	0.21	-46.62
CN(CCC1=CC=CC=C1)S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002661	0	36	-1.0	-45.82	322.65	4.23	-41.59
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008002662	0	29	-1.0	-47.15	284.24	3.22	-43.93
COC1=CC(F)=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(F)=C1	REAL300008002663	1	29	-1.0	-47.11	280.34	1.90	-45.21
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008002664	0	29	-1.0	-49.44	288.25	1.98	-47.46
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002665	0	31	-1.0	-47.30	285.76	2.33	-44.97
CN1C=CC2=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=CC=C21	REAL300008002666	0	32	-1.0	-50.61	296.05	4.09	-46.52
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008002667	0	34	-1.0	-45.89	321.64	2.84	-43.05
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002668	0	38	-1.0	-47.75	332.00	4.62	-43.13
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008002669	0	36	-1.0	-49.98	332.78	5.23	-44.75
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002670	0	31	-1.0	-51.07	279.12	4.34	-46.73
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008002671	0	26	-1.0	-49.31	277.93	1.20	-48.11
C=C(C)COC1=CC=CC(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002672	0	36	-1.0	-46.76	326.02	3.96	-42.80
CCN1C=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(C2CC2)=N1	REAL300008002673	0	35	-1.0	-48.01	319.64	3.10	-44.91
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CC1=NN(C2CCCC2)C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002679	0	38	-1.0	-46.39	330.33	3.46	-42.93
COCCC1=CC=C(OC)C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002680	0	39	-1.0	-48.19	339.85	2.67	-45.52
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CN1N=C2CCOCC2=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002682	0	33	-1.0	-46.60	291.98	0.06	-46.54
O=C([O-])[C@@H](F)CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300008002683	0	31	-1.0	-47.27	307.60	2.16	-45.11
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CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C1	REAL300008002690	0	39	-1.0	-46.43	351.57	5.90	-40.53
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CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C=C2)C=C1	REAL300008002693	0	48	-1.0	-46.44	413.83	7.54	-38.90
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CC1=CC=C(OC(C)C)C(S(=O)(=O)NC[C@H](F)C(=O)[O-])=C1	REAL300008002698	0	38	-1.0	-48.05	320.33	4.23	-43.82
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O=C([O-])C1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)=C1	REAL300008002700	0	44	-1.0	-52.12	357.17	7.59	-44.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002701	0	47	-1.0	-55.52	371.45	8.30	-47.22
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)C=C1C(=O)[O-]	REAL300008002702	0	47	-1.0	-52.12	373.17	8.12	-44.00
O=C([O-])C1=C(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)C=CS1	REAL300008002703	0	41	-1.0	-62.44	351.91	7.61	-54.83
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CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)O1	REAL300008002715	0	44	-1.0	-49.74	369.47	6.79	-42.95
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O=C([O-])CCCS(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002722	0	43	-1.0	-51.94	352.04	6.53	-45.41
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CC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)=C1C(=O)[O-]	REAL300008002724	0	47	-1.0	-55.90	373.77	8.70	-47.20
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CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002726	0	47	-1.0	-50.05	368.76	8.24	-41.81
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CC1=C(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)C=C(C(=O)[O-])O1	REAL300008002730	0	44	-1.0	-52.82	361.72	6.81	-46.01
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O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002734	0	43	-1.0	-69.98	354.63	7.30	-62.68
O=C([O-])CCCCCS(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002735	0	49	-1.0	-53.08	395.04	8.10	-44.98
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)C=N1	REAL300008002736	0	43	-1.0	-51.06	360.72	6.10	-44.96
CC1=CC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)=CC=C1C(=O)[O-]	REAL300008002737	0	47	-1.0	-47.94	373.18	8.13	-39.81
CN(CCC(=O)[O-])S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002738	0	45	-1.0	-48.36	364.66	6.09	-42.27
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002739	0	44	-1.0	-51.24	356.38	7.94	-43.30
O=C([O-])C1=CC=C(CS(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)C=C1	REAL300008002740	0	47	-1.0	-57.92	388.05	8.65	-49.27
CC1=CC=C(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)C=C1C(=O)[O-]	REAL300008002741	0	47	-1.0	-52.12	373.17	8.12	-44.00
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002742	0	47	-1.0	-55.52	371.45	8.30	-47.22
O=C([O-])CC1(CS(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)CC1	REAL300008002743	0	47	-1.0	-50.96	375.29	7.75	-43.21
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)=C1	REAL300008002744	0	47	-1.0	-45.54	371.33	8.10	-37.44
CCC1=C(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)C=C(C(=O)[O-])O1	REAL300008002745	0	47	-1.0	-53.81	383.92	7.47	-46.34
CC1=NC=C(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)C=C1C(=O)[O-]	REAL300008002746	0	46	-1.0	-47.59	372.31	6.39	-41.20
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002747	0	44	-1.0	-50.87	332.44	5.71	-45.16
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)=C1	REAL300008002748	0	44	-1.0	-50.65	365.92	6.86	-43.79
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O=C([O-])C1(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)CCC1	REAL300008002750	0	44	-1.0	-44.28	342.47	6.68	-37.60
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O=C([O-])C1=CC=NC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)=C1	REAL300008002753	0	43	-1.0	-47.27	353.40	5.66	-41.61
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O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)=C1	REAL300008002755	0	41	-1.0	-46.24	362.84	6.57	-39.67
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CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002758	0	44	-1.0	-55.79	356.46	5.43	-50.36
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)C1	REAL300008002759	0	44	-1.0	-52.16	354.79	7.04	-45.12
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CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)S1	REAL300008002761	0	44	-1.0	-49.04	376.67	7.57	-41.47
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002762	0	47	-1.0	-61.53	378.23	9.38	-52.15
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O=C([O-])C1CCCCN1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002764	0	49	-1.0	-50.91	355.44	7.67	-43.24
O=C([O-])C1=CC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)=NN1	REAL300008002765	0	41	-1.0	-44.30	339.90	4.53	-39.77
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002766	0	46	-1.0	-58.35	366.12	7.01	-51.34
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002767	0	41	-1.0	-51.02	337.88	4.76	-46.26
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002768	0	44	-1.0	-58.71	344.68	7.63	-51.08
CC1=CC(S(=O)(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)=CN=C1C(=O)[O-]	REAL300008002769	0	46	-1.0	-50.97	369.81	6.33	-44.64
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CC2=CC=CC=C2OC2(CCC2)C1	REAL300008002770	0	47	-1.0	-61.53	378.23	9.38	-52.15
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C[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008002860	0	37	-1.0	-57.75	328.46	5.59	-52.16
C[C@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008002861	0	40	-1.0	-58.93	345.34	6.13	-52.80
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@@H](C)C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300008002862	0	37	-1.0	-54.09	349.67	6.14	-47.95
C[C@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008002863	0	40	-1.0	-59.06	352.79	7.67	-51.39
C[C@H](NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008002864	0	40	-1.0	-70.87	364.96	5.05	-65.82
C[C@H](NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008002865	0	40	-1.0	-48.77	365.84	7.87	-40.90
C[C@H](NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008002866	0	37	-1.0	-57.11	335.09	5.78	-51.33
C[C@H](NS(=O)(=O)N1CCCCC1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008002867	0	42	-1.0	-52.05	347.00	6.52	-45.53
C[C@H](NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008002868	0	34	-1.0	-47.80	321.39	2.80	-45.00
C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008002869	0	39	-1.0	-46.14	337.78	5.22	-40.92
C[C@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008002870	0	34	-1.0	-53.39	316.21	3.51	-49.88
C[C@H](NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008002871	0	34	-1.0	-43.16	340.33	6.87	-36.29
C[C@H](NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008002872	0	37	-1.0	-59.15	318.83	6.17	-52.98
CC1=CC(S(=O)(=O)N[C@@H](C)C2=CC=C([N+](=O)[O-])C=C2)=CN=C1C(=O)[O-]	REAL300008002873	0	39	-1.0	-56.50	351.35	5.18	-51.32
C[C@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008002874	0	40	-1.0	-59.06	352.79	7.67	-51.39
CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C2=CC=C([N+](=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300008002875	0	44	-1.0	-64.64	388.06	7.40	-57.24
C[C@H](NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008002876	0	44	-1.0	-52.06	383.04	8.29	-43.77
C[C@H](NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008002877	0	36	-1.0	-45.13	324.99	5.55	-39.58
CSCC(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300008002878	0	34	-1.0	-48.31	319.92	3.93	-44.38
CCC(C)C1=CC=C(S(=O)(=O)NC(CSC)C(=O)[O-])C=C1	REAL300008002879	0	41	-1.0	-51.11	357.64	6.01	-45.10
CSCC(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300008002880	0	26	-1.0	-40.02	288.73	3.13	-36.89
COC1=CC=C(C)C=C1S(=O)(=O)NC(CSC)C(=O)[O-]	REAL300008002881	0	36	-1.0	-45.92	326.75	3.94	-41.98
CSCC(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300008002882	0	32	-1.0	-52.04	316.14	4.96	-47.08
CSCC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300008002883	0	33	-1.0	-43.86	324.73	3.77	-40.09
CSCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008002884	0	35	-1.0	-57.30	339.90	0.92	-56.38
CSCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300008002885	0	33	-1.0	-47.31	324.96	3.21	-44.10
COC1=CC(C)=C(S(=O)(=O)NC(CSC)C(=O)[O-])C=C1OC	REAL300008002886	0	40	-1.0	-53.82	353.16	3.54	-50.28
CSCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300008002887	0	32	-1.0	-49.01	311.57	4.84	-44.17
CSCC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300008002888	0	40	-1.0	-50.22	327.11	3.49	-46.73
CSCC(NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300008002889	0	35	-1.0	-52.96	313.73	2.36	-50.60
CSCC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008002890	0	45	-1.0	-51.15	381.09	7.20	-43.95
CSCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008002891	0	35	-1.0	-51.68	323.42	2.57	-49.11
CCC1=CC=C(S(=O)(=O)NC(CSC)C(=O)[O-])C=C1	REAL300008002892	0	35	-1.0	-51.71	322.10	4.84	-46.87
CSCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008002893	0	29	-1.0	-51.96	296.00	4.16	-47.80
CSCC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008002894	0	29	-1.0	-40.47	300.72	4.16	-36.31
CSCC(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008002895	0	34	-1.0	-46.72	309.59	5.77	-40.95
CSCC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008002896	0	35	-1.0	-40.51	337.16	5.43	-35.08
CSCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300008002897	0	39	-1.0	-44.72	358.96	-0.06	-44.78
CSCC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300008002898	0	40	-1.0	-49.87	361.40	5.25	-44.62
CSCC(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300008002899	0	32	-1.0	-42.18	305.49	4.21	-37.97
CSCC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300008002900	0	35	-1.0	-51.09	324.92	3.90	-47.19
COCC1=CC=C(S(=O)(=O)NC(CSC)C(=O)[O-])C=C1	REAL300008002901	0	36	-1.0	-52.08	334.03	3.15	-48.93
CCOC1=CC=C(S(=O)(=O)NC(CSC)C(=O)[O-])C=N1	REAL300008002902	0	35	-1.0	-47.79	328.04	1.03	-46.76
CSCC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008002903	0	38	-1.0	-64.43	364.26	1.61	-62.82
CSCC(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008002904	0	34	-1.0	-47.77	323.99	-0.55	-48.32
COC1=CC=C(S(=O)(=O)NC(CSC)C(=O)[O-])C(C)=C1C	REAL300008002905	0	39	-1.0	-52.07	339.83	4.27	-47.80
CSCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008002906	0	34	-1.0	-44.04	335.45	3.90	-40.14
CSCC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008002907	0	32	-1.0	-40.38	323.40	4.81	-35.57
CSCC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300008002908	0	34	-1.0	-51.72	320.10	3.77	-47.95
CSCC(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300008002909	0	38	-1.0	-49.95	318.05	1.11	-48.84
CSCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300008002910	0	38	-1.0	-54.85	350.55	4.63	-50.22
CCN1N=C(C)C(S(=O)(=O)NC(CSC)C(=O)[O-])=C1C	REAL300008002911	0	38	-1.0	-49.36	335.90	3.27	-46.09
CSCC(NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300008002912	0	35	-1.0	-44.78	324.54	2.59	-42.19
CSCC(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300008002913	0	38	-1.0	-52.52	338.80	5.28	-47.24
CSCC(NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300008002914	0	35	-1.0	-52.89	319.70	4.41	-48.48
CSCC(NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300008002915	0	35	-1.0	-60.18	324.23	1.87	-58.31
CSCC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300008002916	0	41	-1.0	-53.86	323.66	5.56	-48.30
CSCC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300008002917	0	37	-1.0	-52.31	344.13	2.89	-49.42
COC1=CC(Cl)=C(S(=O)(=O)NC(CSC)C(=O)[O-])C=C1OC	REAL300008002918	0	37	-1.0	-51.20	351.51	3.20	-48.00
CSCC(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300008002919	0	32	-1.0	-51.41	318.44	4.60	-46.81
CSCC(NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300008002920	0	32	-1.0	-49.14	299.45	4.38	-44.76
CSCC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300008002921	0	35	-1.0	-43.34	334.75	6.31	-37.03
CSCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300008002922	0	34	-1.0	-45.23	328.27	5.49	-39.74
CSCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300008002923	0	33	-1.0	-49.70	324.40	3.06	-46.64
CSCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300008002924	0	36	-1.0	-51.55	345.21	4.64	-46.91
CSCC(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300008002925	0	44	-1.0	-52.42	375.13	4.80	-47.62
CSCC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300008002926	0	32	-1.0	-50.62	311.14	4.29	-46.33
COCC1=CC=C(OC)C(S(=O)(=O)NC(CSC)C(=O)[O-])=C1	REAL300008002927	0	40	-1.0	-48.73	360.91	2.99	-45.74
COC1=CC=C(F)C=C1S(=O)(=O)NC(CSC)C(=O)[O-]	REAL300008002928	0	33	-1.0	-43.47	312.23	3.34	-40.13
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(CSC)C(=O)[O-]	REAL300008002929	0	40	-1.0	-57.93	370.44	3.59	-54.34
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CSC)C(=O)[O-])C=C1C	REAL300008002930	0	40	-1.0	-54.58	370.80	0.39	-54.19
CSCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008002931	0	47	-1.0	-49.85	365.98	5.07	-44.78
CSCC(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300008002932	0	37	-1.0	-51.90	338.29	4.67	-47.23
CSCC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008002933	0	37	-1.0	-63.25	343.75	5.31	-57.94
CSCC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008002934	0	40	-1.0	-44.38	354.82	2.02	-42.36
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(CSC)C(=O)[O-]	REAL300008002935	0	43	-1.0	-45.65	402.12	4.55	-41.10
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(CSC)C(=O)[O-]	REAL300008002936	0	43	-1.0	-57.05	394.46	4.65	-52.40
CCCN1C=NC(S(=O)(=O)NC(CSC)C(=O)[O-])=C1	REAL300008002937	0	35	-1.0	-50.94	318.29	5.03	-45.91
CSCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300008002938	0	45	-1.0	-39.20	375.98	4.78	-34.42
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(CSC)C(=O)[O-])=C1	REAL300008002939	0	36	-1.0	-41.14	345.89	3.77	-37.37
CSCC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008002940	0	37	-1.0	-43.11	337.81	1.25	-41.86
COC1=CC(Br)=CC(S(=O)(=O)NC(CSC)C(=O)[O-])=C1	REAL300008002941	0	33	-1.0	-41.67	328.46	3.40	-38.27
CSCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008002942	0	33	-1.0	-51.98	324.58	3.64	-48.34
COC1=CC(S(=O)(=O)NC(CSC)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008002943	0	35	-1.0	-47.49	334.70	4.14	-43.35
CSCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300008002944	0	35	-1.0	-48.15	330.65	5.10	-43.05
CSCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300008002945	0	35	-1.0	-52.20	333.67	5.36	-46.84
CSCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008002946	0	35	-1.0	-47.35	333.37	4.93	-42.42
CSCC(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300008002947	0	38	-1.0	-55.42	323.61	4.89	-50.53
CCOC1=CC=CC(S(=O)(=O)NC(CSC)C(=O)[O-])=C1	REAL300008002948	0	36	-1.0	-45.07	331.12	3.72	-41.35
COCCN1C=C(S(=O)(=O)NC(CSC)C(=O)[O-])C=N1	REAL300008002949	0	36	-1.0	-44.21	337.42	1.10	-43.11
CSCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008002950	0	36	-1.0	-55.80	343.29	3.96	-51.84
CSCC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008002951	0	37	-1.0	-54.06	352.54	5.56	-48.50
CSCC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008002952	0	34	-1.0	-47.59	318.86	3.84	-43.75
CSCC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008002953	0	32	-1.0	-42.50	323.40	4.80	-37.70
CSCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008002954	0	32	-1.0	-52.91	319.61	4.67	-48.24
CSCC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008002955	0	36	-1.0	-63.11	343.61	1.28	-61.83
CSCC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300008002956	0	32	-1.0	-41.40	320.39	4.75	-36.65
CSCC(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300008002957	0	32	-1.0	-49.47	312.48	4.83	-44.64
COCC1=CC=CC=C1S(=O)(=O)NC(CSC)C(=O)[O-]	REAL300008002958	0	36	-1.0	-51.00	323.58	3.46	-47.54
COC1=CC(S(=O)(=O)NC(CSC)C(=O)[O-])=CC=C1Br	REAL300008002959	0	33	-1.0	-47.83	328.85	3.39	-44.44
COC1=CC(OC)=C(S(=O)(=O)NC(CSC)C(=O)[O-])C=C1Cl	REAL300008002960	0	37	-1.0	-45.46	353.78	3.13	-42.33
CSCC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008002961	0	32	-1.0	-45.91	321.62	2.54	-43.37
CSCC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008002962	0	32	-1.0	-42.88	316.75	2.34	-40.54
CSCC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008002963	0	40	-1.0	-45.05	357.21	4.76	-40.29
CSCC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008002964	0	32	-1.0	-45.34	318.19	2.51	-42.83
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CSC)C(=O)[O-])C=C1	REAL300008002965	0	41	-1.0	-55.57	382.90	2.62	-52.95
CSCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300008002966	0	33	-1.0	-45.89	315.99	4.56	-41.33
CCC1=CC=CC(S(=O)(=O)NC(CSC)C(=O)[O-])=C1	REAL300008002967	0	35	-1.0	-51.72	321.88	4.85	-46.87
CSCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008002968	0	37	-1.0	-52.86	358.12	0.18	-52.68
CSCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008002969	0	40	-1.0	-64.42	351.95	3.42	-61.00
CCC1=CC=C(CS(=O)(=O)NC(CSC)C(=O)[O-])C=C1	REAL300008002970	0	38	-1.0	-43.49	344.98	5.63	-37.86
CSCC(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300008002971	0	32	-1.0	-51.84	314.31	4.01	-47.83
CSCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008002972	0	44	-1.0	-54.11	392.69	3.86	-50.25
CSCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008002973	0	41	-1.0	-54.14	366.81	3.54	-50.60
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CSC)C(=O)[O-])=C1	REAL300008002974	0	38	-1.0	-52.61	361.94	1.92	-50.69
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(CSC)C(=O)[O-]	REAL300008002975	0	39	-1.0	-48.89	369.05	0.77	-48.12
CSCC(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300008002976	0	38	-1.0	-43.40	337.34	5.34	-38.06
CCOC1=CC=C(S(=O)(=O)NC(CSC)C(=O)[O-])C=C1Br	REAL300008002977	0	36	-1.0	-48.77	350.94	4.29	-44.48
COC1=CC=C(S(=O)(=O)NC(CSC)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300008002978	0	43	-1.0	-54.49	387.10	6.48	-48.01
CSCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008002979	0	33	-1.0	-51.95	335.13	4.05	-47.90
COC1=CC=C(Br)C(CS(=O)(=O)NC(CSC)C(=O)[O-])=C1	REAL300008002980	0	36	-1.0	-44.56	345.11	4.01	-40.55
CSCC(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300008002981	0	38	-1.0	-42.47	325.96	1.73	-40.74
CSCC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008002982	0	43	-1.0	-46.24	392.77	5.45	-40.79
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(CSC)C(=O)[O-]	REAL300008002983	0	36	-1.0	-44.13	345.49	4.47	-39.66
CSCC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300008002984	0	41	-1.0	-45.81	370.49	5.05	-40.76
CCS(=O)(=O)NCCS(=O)(=O)NC(CSC)C(=O)[O-]	REAL300008002985	0	36	-1.0	-45.77	339.03	-1.84	-47.61
CSCC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008002986	0	35	-1.0	-52.03	334.16	4.72	-47.31
CSCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008002987	0	32	-1.0	-43.10	335.41	5.45	-37.65
CSCC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008002988	0	35	-1.0	-42.89	342.25	6.24	-36.65
CSCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008002989	0	32	-1.0	-50.04	333.42	5.36	-44.68
CSCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008002990	0	35	-1.0	-45.31	332.11	6.19	-39.12
CSCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008002991	0	35	-1.0	-53.01	340.22	5.20	-47.81
CSCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008002992	0	40	-1.0	-44.45	359.49	4.79	-39.66
CSCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008002993	0	43	-1.0	-54.81	395.54	6.82	-47.99
CSCC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008002994	0	42	-1.0	-55.15	386.37	4.99	-50.16
CSCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008002995	0	40	-1.0	-44.55	375.17	0.48	-44.07
CSCC(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300008002996	0	38	-1.0	-46.81	350.85	6.51	-40.30
CSCC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300008002997	0	40	-1.0	-50.89	353.56	4.07	-46.82
CSCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008002998	0	35	-1.0	-54.30	340.51	5.32	-48.98
CSCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008002999	0	34	-1.0	-45.38	302.29	0.29	-45.09
CSCC(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008003000	0	42	-1.0	-42.01	359.91	3.88	-38.13
COC1=CC=C(F)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004644	0	36	-1.0	-49.46	317.95	4.03	-45.43
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004645	0	43	-1.0	-51.02	373.43	4.27	-46.75
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300008004646	0	43	-1.0	-55.68	374.58	1.28	-54.40
O=C([O-])CC1CC(NS(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300008004647	0	50	-1.0	-46.37	370.63	5.85	-40.52
CC1=NC2=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=CC=C2C=C1	REAL300008004648	0	40	-1.0	-55.47	336.02	5.98	-49.49
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300008004649	0	40	-1.0	-62.02	347.78	6.05	-55.97
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300008004650	0	43	-1.0	-52.00	360.72	2.74	-49.26
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004651	0	46	-1.0	-51.74	395.89	5.32	-46.42
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004652	0	46	-1.0	-51.80	387.46	5.42	-46.38
CCCN1C=NC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004653	0	38	-1.0	-53.69	330.10	5.00	-48.69
COCCOCCOCCS(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004654	0	46	-1.0	-56.17	391.81	1.44	-54.73
CC(COC1CCCC1)CS(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004655	0	48	-1.0	-49.17	384.12	5.56	-43.61
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004656	0	39	-1.0	-49.39	351.77	4.49	-44.90
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300008004657	0	40	-1.0	-50.48	341.59	1.94	-48.54
COC1=CC(Br)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004658	0	36	-1.0	-48.76	334.34	4.11	-44.65
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300008004659	0	36	-1.0	-49.15	327.70	4.29	-44.86
COC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300008004660	0	38	-1.0	-52.73	338.78	4.94	-47.79
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004661	0	38	-1.0	-47.23	336.68	6.07	-41.16
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004662	0	38	-1.0	-46.87	336.65	6.09	-40.78
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300008004663	0	38	-1.0	-48.63	337.67	5.70	-42.93
CC(C)C1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004664	0	41	-1.0	-48.41	332.47	6.14	-42.27
O=C([O-])CC1CC(NS(=O)(=O)CCCN2CCOCC2)C1	REAL300008004665	0	44	-1.0	-49.64	357.28	1.16	-48.48
CCOC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004666	0	39	-1.0	-50.22	334.62	4.42	-45.80
COCCN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300008004667	0	39	-1.0	-52.37	343.29	1.81	-50.56
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300008004668	0	39	-1.0	-55.12	347.60	4.74	-50.38
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1C	REAL300008004669	0	59	-1.0	-52.70	469.85	8.73	-43.97
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300008004670	0	40	-1.0	-53.66	357.07	6.36	-47.30
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300008004671	0	37	-1.0	-51.95	324.73	4.55	-47.40
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300008004672	0	35	-1.0	-49.98	328.36	5.52	-44.46
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300008004673	0	35	-1.0	-51.59	323.87	5.46	-46.13
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300008004674	0	39	-1.0	-61.44	347.85	2.06	-59.38
CC1=CC(Br)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004675	0	35	-1.0	-47.60	326.26	5.46	-42.14
CC1=C(Br)C=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004676	0	35	-1.0	-49.12	316.00	5.59	-43.53
COCC1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004677	0	39	-1.0	-49.68	329.62	4.33	-45.35
COC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1Br	REAL300008004678	0	36	-1.0	-49.51	333.16	4.16	-45.35
COC1=CC(OC)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Cl	REAL300008004679	0	40	-1.0	-49.89	357.03	3.83	-46.06
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300008004680	0	35	-1.0	-54.64	327.51	3.26	-51.38
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300008004681	0	35	-1.0	-54.84	321.47	3.09	-51.75
CC1(C)CC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C2O1	REAL300008004682	0	43	-1.0	-49.44	360.98	5.44	-44.00
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300008004683	0	35	-1.0	-51.04	316.87	3.23	-47.81
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004684	0	43	-1.0	-53.04	336.44	2.18	-50.86
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004685	0	44	-1.0	-57.75	386.91	3.41	-54.34
CSC1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004686	0	36	-1.0	-55.26	319.69	5.26	-50.00
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1F	REAL300008004687	0	40	-1.0	-52.97	362.21	0.97	-52.00
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004688	0	46	-1.0	-55.31	402.40	1.99	-53.32
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004689	0	43	-1.0	-60.21	363.91	4.08	-56.13
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1F	REAL300008004690	0	43	-1.0	-52.06	383.67	1.86	-50.20
CCC1=CC=C(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004691	0	41	-1.0	-56.92	349.70	6.31	-50.61
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=CS2)C1	REAL300008004692	0	35	-1.0	-55.35	318.51	4.75	-50.60
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300008004693	0	47	-1.0	-54.78	397.01	4.63	-50.15
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300008004694	0	44	-1.0	-57.24	373.05	4.20	-53.04
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004695	0	41	-1.0	-54.94	365.42	2.61	-52.33
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004696	0	42	-1.0	-61.29	363.97	1.58	-59.71
CC1=CC=C(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300008004697	0	41	-1.0	-51.17	345.48	6.11	-45.06
CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Br	REAL300008004698	0	39	-1.0	-49.27	355.02	5.09	-44.18
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300008004699	0	46	-1.0	-51.90	391.73	7.24	-44.66
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300008004700	0	36	-1.0	-51.18	329.77	4.84	-46.34
COC1=CC=C(Br)C(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004701	0	39	-1.0	-51.28	353.25	4.77	-46.51
CC1(C)CN(S(=O)(=O)NC2CC(CC(=O)[O-])C2)CCO1	REAL300008004702	0	41	-1.0	-50.22	329.28	2.33	-47.89
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C2S1	REAL300008004703	0	46	-1.0	-51.11	396.54	6.13	-44.98
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004704	0	39	-1.0	-49.73	351.33	5.15	-44.58
CC(C)N1N=CC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C21	REAL300008004705	0	44	-1.0	-51.64	374.26	5.72	-45.92
CCS(=O)(=O)NCCS(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004706	0	39	-1.0	-60.72	347.18	-1.12	-61.84
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300008004707	0	38	-1.0	-49.55	337.81	5.37	-44.18
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300008004708	0	35	-1.0	-50.94	339.59	6.10	-44.84
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300008004709	0	38	-1.0	-47.86	350.83	7.08	-40.78
O=C([O-])CC1CC(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300008004710	0	35	-1.0	-51.50	336.67	6.06	-45.44
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300008004711	0	38	-1.0	-54.41	340.91	7.06	-47.35
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300008004712	0	38	-1.0	-50.37	344.26	5.99	-44.38
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300008004713	0	43	-1.0	-55.90	364.47	5.48	-50.42
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300008004714	0	46	-1.0	-49.94	388.36	7.55	-42.39
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004715	0	45	-1.0	-57.02	390.65	5.77	-51.25
O=C([O-])CC1CC(NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300008004716	0	43	-1.0	-60.18	383.33	1.20	-58.98
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300008004717	0	41	-1.0	-49.49	354.32	7.20	-42.29
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1N(C)C	REAL300008004718	0	43	-1.0	-50.04	357.86	4.85	-45.19
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300008004719	0	38	-1.0	-50.09	345.05	6.12	-43.97
O=C([O-])CC1CC(NS(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300008004720	0	37	-1.0	-54.62	314.43	1.21	-53.41
O=C([O-])CC1CC(NS(=O)(=O)CCOCC2CCCC2)C1	REAL300008004721	0	45	-1.0	-49.67	368.04	4.65	-45.02
COC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Cl	REAL300008004722	0	39	-1.0	-47.57	344.03	4.85	-42.72
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004723	0	41	-1.0	-59.55	367.75	2.42	-57.13
CSC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Cl	REAL300008004724	0	36	-1.0	-51.53	338.45	5.67	-45.86
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004725	0	44	-1.0	-52.83	358.71	4.66	-48.17
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300008004726	0	40	-1.0	-53.34	354.68	2.75	-50.59
CCC1=NOC2=NC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C12	REAL300008004727	0	39	-1.0	-52.92	344.49	1.91	-51.01
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300008004728	0	43	-1.0	-53.25	379.82	4.02	-49.23
CN1N=CC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CN=C21	REAL300008004729	0	37	-1.0	-52.63	327.89	3.32	-49.31
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300008004730	0	38	-1.0	-49.19	350.74	7.07	-42.12
CCC1=CC(CC)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(CC)=C1	REAL300008004731	0	50	-1.0	-47.72	384.22	8.73	-38.99
O=C([O-])CC1CC(NS(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300008004732	0	39	-1.0	-55.16	328.56	4.27	-50.89
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300008004733	0	38	-1.0	-49.62	352.14	2.27	-47.35
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300008004734	0	41	-1.0	-52.79	349.83	7.93	-44.86
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1F	REAL300008004735	0	39	-1.0	-52.27	332.39	4.40	-47.87
CC1(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)CCCCC1	REAL300008004736	0	44	-1.0	-48.21	333.14	5.70	-42.51
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300008004737	0	41	-1.0	-50.25	345.58	5.61	-44.64
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300008004739	0	40	-1.0	-52.58	352.69	5.48	-47.10
COCC1=CC(Cl)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004740	0	39	-1.0	-49.90	355.35	4.42	-45.48
CC1=CC=C(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)C(F)=C1	REAL300008004741	0	38	-1.0	-51.20	333.79	5.61	-45.59
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300008004743	0	32	-1.0	-47.14	315.82	4.39	-42.75
O=C([O-])CC1CC(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300008004744	0	45	-1.0	-50.15	372.34	7.47	-42.68
CC(C)(C)C1=CC(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)=NO1	REAL300008004745	0	43	-1.0	-51.69	365.18	4.92	-46.77
O=C([O-])CC1CC(NS(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300008004746	0	41	-1.0	-66.84	344.65	1.31	-65.53
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300008004747	0	35	-1.0	-50.71	319.71	4.64	-46.07
CC1=C(CCS(=O)(=O)NC2CC(CC(=O)[O-])C2)SC=N1	REAL300008004748	0	37	-1.0	-56.59	332.28	3.39	-53.20
O=C([O-])CC1CC(NS(=O)(=O)CC23CCC(CC2)C3)C1	REAL300008004749	0	42	-1.0	-47.68	332.28	5.57	-42.11
COC1=CC=C2C=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)CCC2=C1	REAL300008004750	0	44	-1.0	-50.12	367.48	5.88	-44.24
O=C([O-])CC1CC(NS(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300008004751	0	45	-1.0	-47.44	341.01	6.20	-41.24
CC(C)(CCS(=O)(=O)NC1CC(CC(=O)[O-])C1)S(C)(=O)=O	REAL300008004752	0	43	-1.0	-63.69	356.57	1.24	-62.45
O=C([O-])CC1CC(NS(=O)(=O)CC2CCCCC2(F)F)C1	REAL300008004753	0	41	-1.0	-50.30	335.54	5.38	-44.92
O=C([O-])CC1CC(NS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300008004754	0	39	-1.0	-48.71	334.29	6.31	-42.40
CCC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008004755	0	40	-1.0	-50.45	345.79	6.03	-44.42
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300008004756	0	32	-1.0	-48.42	299.98	4.71	-43.71
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O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300008004759	0	38	-1.0	-50.41	329.48	6.46	-43.95
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300008004760	0	34	-1.0	-50.58	311.48	4.86	-45.72
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004761	0	37	-1.0	-48.35	326.13	5.76	-42.59
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300008004762	0	34	-1.0	-60.11	300.63	5.67	-54.44
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004763	0	39	-1.0	-50.27	345.28	5.56	-44.71
CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004764	0	39	-1.0	-50.44	334.59	4.42	-46.02
CC1=CC(C)=C(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1C	REAL300008004765	0	44	-1.0	-48.41	345.05	6.90	-41.51
CC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1	REAL300008004766	0	41	-1.0	-48.78	330.81	6.43	-42.35
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004767	0	47	-1.0	-47.87	374.73	7.32	-40.55
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300008004768	0	35	-1.0	-48.57	322.32	5.21	-43.36
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300008004769	0	35	-1.0	-53.25	305.33	5.65	-47.60
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300008004770	0	32	-1.0	-48.32	299.99	4.71	-43.61
CC(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004771	0	37	-1.0	-54.51	326.00	4.68	-49.83
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008004772	0	38	-1.0	-57.74	338.76	4.94	-52.80
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004773	0	44	-1.0	-49.31	359.45	6.52	-42.79
CC(C)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004774	0	41	-1.0	-49.42	343.48	6.12	-43.30
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004775	0	43	-1.0	-55.48	378.85	2.19	-53.29
CCCC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004776	0	41	-1.0	-49.32	347.64	6.41	-42.91
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Br	REAL300008004777	0	36	-1.0	-51.76	333.16	4.16	-47.60
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1Br	REAL300008004778	0	35	-1.0	-48.49	322.75	5.38	-43.11
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C2)=C1	REAL300008004779	0	46	-1.0	-51.10	393.37	7.70	-43.40
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300008004780	0	36	-1.0	-48.12	329.23	3.98	-44.14
CC1=C(C)C(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1C	REAL300008004781	0	47	-1.0	-49.58	356.91	7.29	-42.29
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300008004782	0	41	-1.0	-51.30	346.06	4.13	-47.17
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004783	0	48	-1.0	-51.40	379.46	6.38	-45.02
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008004784	0	37	-1.0	-50.50	327.45	5.38	-45.12
COC1=CC=C(Br)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004785	0	36	-1.0	-50.74	324.58	4.69	-46.05
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004786	0	50	-1.0	-48.42	385.18	8.02	-40.40
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300008004787	0	35	-1.0	-48.71	321.98	5.19	-43.52
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300008004788	0	42	-1.0	-48.87	346.26	6.68	-42.19
COC1=CC=C(OC)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004789	0	40	-1.0	-51.61	341.02	3.24	-48.37
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1OC	REAL300008004790	0	40	-1.0	-51.76	341.99	3.40	-48.36
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300008004791	0	39	-1.0	-49.27	329.09	6.09	-43.18
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300008004792	0	40	-1.0	-49.30	338.03	6.58	-42.72
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300008004793	0	37	-1.0	-50.10	319.46	4.04	-46.06
CC(C)CCC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004794	0	47	-1.0	-49.18	386.70	7.70	-41.48
CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1OCC	REAL300008004795	0	46	-1.0	-51.49	385.70	5.24	-46.25
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004796	0	37	-1.0	-56.49	337.43	-0.85	-57.34
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300008004797	0	40	-1.0	-53.41	344.64	5.90	-47.51
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1C	REAL300008004798	0	40	-1.0	-47.55	344.72	6.22	-41.33
CC1=CC2=CC=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=C2N=C1	REAL300008004799	0	40	-1.0	-54.12	344.99	5.45	-48.67
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300008004800	0	38	-1.0	-53.97	330.84	4.95	-49.02
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004801	0	36	-1.0	-49.54	320.02	4.58	-44.96
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004802	0	37	-1.0	-55.10	337.49	-0.85	-55.95
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300008004803	0	44	-1.0	-58.38	392.25	2.04	-56.34
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004804	0	40	-1.0	-49.20	351.87	5.65	-43.55
O=C([O-])CC1CC(NS(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300008004805	0	41	-1.0	-49.93	335.86	5.32	-44.61
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=CC=CN=C12	REAL300008004806	0	40	-1.0	-52.18	339.46	5.48	-46.70
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300008004807	0	40	-1.0	-58.94	339.93	6.91	-52.03
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004808	0	43	-1.0	-58.36	379.57	2.15	-56.21
O=C([O-])CC1CC(NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300008004809	0	44	-1.0	-60.12	369.47	3.53	-56.59
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004810	0	38	-1.0	-55.57	343.95	1.72	-53.85
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300008004811	0	42	-1.0	-55.74	355.25	7.80	-47.94
CC1CC(C)CN(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C1	REAL300008004812	0	43	-1.0	-47.91	338.72	4.74	-43.17
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300008004813	0	38	-1.0	-52.42	324.22	6.55	-45.87
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300008004814	0	42	-1.0	-51.11	357.43	7.61	-43.50
CC1=CC=C(F)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004815	0	35	-1.0	-47.17	304.30	5.15	-42.02
CN(C)C1=CC=CC2=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=CC=C12	REAL300008004816	0	46	-1.0	-51.12	377.64	6.40	-44.72
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300008004817	0	33	-1.0	-52.51	301.12	2.67	-49.84
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004818	0	36	-1.0	-50.80	320.02	4.58	-46.22
CCC(C)(C)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004819	0	47	-1.0	-49.27	373.68	6.98	-42.29
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Cl	REAL300008004820	0	35	-1.0	-50.28	318.71	5.31	-44.97
CC(C)OC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004821	0	42	-1.0	-49.96	352.52	5.04	-44.92
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300008004822	0	35	-1.0	-50.09	323.79	5.41	-44.68
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300008004823	0	33	-1.0	-58.25	292.60	3.00	-55.25
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CC(C)OC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=CC=CC=C12	REAL300008004833	0	48	-1.0	-52.78	393.64	7.44	-45.34
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CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004838	0	40	-1.0	-47.70	342.90	6.63	-41.07
CC(C)CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004839	0	44	-1.0	-49.19	364.40	6.88	-42.31
COCCC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004840	0	42	-1.0	-50.19	359.81	4.70	-45.49
COCCN(CCOC)S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004841	0	44	-1.0	-51.91	354.44	1.30	-50.61
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COC1=C(C)C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300008004843	0	42	-1.0	-50.67	354.53	4.99	-45.68
CC(C)CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004844	0	48	-1.0	-50.01	395.16	6.52	-43.49
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CC(C)COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004846	0	45	-1.0	-50.10	376.20	5.91	-44.19
CCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004847	0	42	-1.0	-50.08	356.09	5.22	-44.86
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Cl	REAL300008004848	0	36	-1.0	-51.85	328.77	4.05	-47.80
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COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300008004850	0	39	-1.0	-50.73	332.82	4.24	-46.49
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1OC(C)C	REAL300008004851	0	45	-1.0	-50.56	372.60	5.78	-44.78
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1	REAL300008004852	0	39	-1.0	-49.58	327.40	4.37	-45.21
COCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004853	0	43	-1.0	-52.37	368.22	3.69	-48.68
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CC1=CC(Br)=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004855	0	35	-1.0	-46.96	319.23	5.69	-41.27
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1C	REAL300008004856	0	40	-1.0	-58.86	335.03	7.10	-51.76
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004857	0	41	-1.0	-54.88	358.61	2.61	-52.27
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CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004859	0	40	-1.0	-55.94	359.85	0.36	-55.58
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004860	0	40	-1.0	-57.17	340.98	2.58	-54.59
CC1=NC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300008004861	0	34	-1.0	-49.75	308.47	2.75	-47.00
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COC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1F	REAL300008004863	0	36	-1.0	-50.11	318.97	3.57	-46.54
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CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004868	0	40	-1.0	-55.07	336.20	6.07	-49.00
CNC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CN1C	REAL300008004869	0	40	-1.0	-53.68	347.42	1.84	-51.84
COC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1	REAL300008004870	0	42	-1.0	-49.63	338.85	5.07	-44.56
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COC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300008004872	0	42	-1.0	-48.52	348.09	5.03	-43.49
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300008004873	0	40	-1.0	-52.71	329.09	5.39	-47.32
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CCN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300008004876	0	37	-1.0	-62.93	333.26	5.06	-57.87
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CCC(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004879	0	40	-1.0	-58.13	346.33	5.46	-52.67
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CC(C)CCN(CCC(C)C)S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004882	0	54	-1.0	-50.09	416.45	6.92	-43.17
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CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=CC=CC=C12	REAL300008004885	0	45	-1.0	-51.99	374.40	6.83	-45.16
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004886	0	42	-1.0	-51.33	345.42	5.61	-45.72
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CCOCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004889	0	46	-1.0	-52.40	390.07	4.65	-47.75
CCCCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004890	0	48	-1.0	-50.01	399.09	6.78	-43.23
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O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300008004893	0	36	-1.0	-47.94	339.62	5.66	-42.28
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O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300008004897	0	37	-1.0	-56.95	331.51	4.37	-52.58
CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1	REAL300008004898	0	42	-1.0	-49.29	349.88	5.23	-44.06
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004899	0	40	-1.0	-54.64	359.86	0.36	-54.28
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CSC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004901	0	36	-1.0	-50.31	323.44	5.21	-45.10
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CCN(CC1=CC=CC=C1)S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004903	0	43	-1.0	-47.83	361.48	6.12	-41.71
CCN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)N=C1C	REAL300008004904	0	38	-1.0	-54.54	328.41	4.03	-50.51
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CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(F)(F)F	REAL300008004908	0	38	-1.0	-51.11	337.68	5.71	-45.40
O=C([O-])CC1CC(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300008004909	0	38	-1.0	-49.45	348.31	4.49	-44.96
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CC1=NN(C)C2=NC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C12	REAL300008004911	0	40	-1.0	-52.85	349.56	3.92	-48.93
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004912	0	39	-1.0	-51.63	351.97	4.79	-46.84
COCC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004913	0	39	-1.0	-50.43	338.33	3.91	-46.52
CC1(C)CC2=CC=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=C2O1	REAL300008004914	0	43	-1.0	-51.89	361.44	5.39	-46.50
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O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300008004916	0	44	-1.0	-61.24	379.83	2.70	-58.54
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300008004917	0	39	-1.0	-57.36	352.81	4.67	-52.69
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300008004918	0	40	-1.0	-57.41	347.52	4.84	-52.57
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CC1CC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C2O1	REAL300008004920	0	40	-1.0	-49.49	340.46	4.77	-44.72
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004921	0	44	-1.0	-50.00	340.58	7.40	-42.60
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004922	0	44	-1.0	-51.17	370.92	3.13	-48.04
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CC1=NC(C2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C2)=CO1	REAL300008004926	0	41	-1.0	-55.84	359.64	3.26	-52.58
CN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300008004927	0	35	-1.0	-56.94	321.74	3.11	-53.83
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O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300008004929	0	35	-1.0	-50.73	309.59	2.84	-47.89
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300008004930	0	35	-1.0	-49.56	310.73	0.88	-48.68
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300008004931	0	40	-1.0	-50.13	337.24	4.81	-45.32
O=C([O-])CC1CC(NS(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300008004932	0	39	-1.0	-53.68	322.60	5.73	-47.95
CC1=CC=C(N2C=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=N2)C=C1	REAL300008004933	0	42	-1.0	-52.59	365.51	5.98	-46.61
CC1CC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC(Cl)=C2O1	REAL300008004934	0	40	-1.0	-49.83	357.32	5.31	-44.52
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300008004935	0	37	-1.0	-50.48	327.48	5.38	-45.10
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300008004936	0	43	-1.0	-56.00	370.99	4.96	-51.04
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300008004937	0	34	-1.0	-51.88	315.54	3.67	-48.21
CN(C)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004938	0	40	-1.0	-50.96	334.34	4.58	-46.38
CC1=CC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C2C=C1	REAL300008004939	0	41	-1.0	-50.48	350.84	7.13	-43.35
COC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)SC=C1	REAL300008004940	0	33	-1.0	-52.29	303.56	3.23	-49.06
CN(C)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004941	0	40	-1.0	-50.68	335.77	4.62	-46.06
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300008004942	0	37	-1.0	-52.03	312.45	4.12	-47.91
O=C([O-])CC1CC(NS(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300008004943	0	37	-1.0	-56.93	330.41	4.24	-52.69
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300008004944	0	37	-1.0	-51.65	319.35	4.02	-47.63
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300008004945	0	38	-1.0	-49.43	345.59	6.20	-43.23
CN1CCCC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C21	REAL300008004946	0	44	-1.0	-52.21	357.47	4.74	-47.47
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300008004947	0	34	-1.0	-50.71	318.25	3.43	-47.28
COC1=CC=CC(OC)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004948	0	40	-1.0	-52.92	336.03	4.73	-48.19
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004949	0	40	-1.0	-50.75	342.79	6.21	-44.54
CC1=CC=C(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300008004950	0	40	-1.0	-52.74	339.65	7.43	-45.31
CC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008004951	0	40	-1.0	-48.09	342.60	6.15	-41.94
COC1=CC=C(CCS(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004952	0	42	-1.0	-51.00	358.36	4.98	-46.02
COC1=CN=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004953	0	35	-1.0	-50.59	308.11	1.66	-48.93
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300008004954	0	41	-1.0	-51.33	356.97	5.81	-45.52
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300008004955	0	39	-1.0	-49.57	332.46	6.30	-43.27
COC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC(OC)=C1	REAL300008004956	0	40	-1.0	-51.47	342.52	2.79	-48.68
O=C([O-])CC1CC(NS(=O)(=O)CCC2CCCCC2)C1	REAL300008004957	0	44	-1.0	-47.91	349.63	5.85	-42.06
CC1=CC=C(CCS(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004958	0	41	-1.0	-49.40	350.26	6.36	-43.04
CC1=CC2=C(C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1)OCO2	REAL300008004959	0	38	-1.0	-49.11	323.94	3.75	-45.36
O=C([O-])CC1CC(NS(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300008004960	0	35	-1.0	-52.63	304.99	4.42	-48.21
COC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1Cl	REAL300008004961	0	36	-1.0	-49.50	328.77	4.05	-45.45
CN1C=NC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C21	REAL300008004962	0	38	-1.0	-58.44	331.52	5.53	-52.91
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300008004963	0	40	-1.0	-54.38	335.34	6.07	-48.31
CC1=NC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C2O1	REAL300008004964	0	37	-1.0	-53.81	326.90	1.85	-51.96
CCC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1CC	REAL300008004965	0	44	-1.0	-49.86	360.25	6.76	-43.10
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004966	0	40	-1.0	-48.40	337.20	6.36	-42.04
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004967	0	42	-1.0	-52.54	342.03	5.75	-46.79
CC1=C(C)SC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004968	0	35	-1.0	-51.68	317.63	4.58	-47.10
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004969	0	33	-1.0	-50.54	306.16	2.04	-48.50
CCC1=NC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300008004970	0	34	-1.0	-50.66	313.99	2.75	-47.91
CN(C)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300008004971	0	39	-1.0	-51.94	332.30	4.01	-47.93
CC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300008004972	0	35	-1.0	-51.73	314.09	4.80	-46.93
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300008004973	0	38	-1.0	-55.40	332.87	5.63	-49.77
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300008004974	0	35	-1.0	-51.21	310.21	2.80	-48.41
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC(C)=C1F	REAL300008004975	0	38	-1.0	-48.84	330.27	5.53	-43.31
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300008004976	0	39	-1.0	-52.80	339.53	3.94	-48.86
O=C([O-])CC1CC(NS(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300008004977	0	45	-1.0	-59.34	383.83	5.71	-53.63
O=C([O-])CC1CC(NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300008004978	0	36	-1.0	-59.09	321.70	4.26	-54.83
O=C([O-])CC1CC(NS(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300008004979	0	34	-1.0	-53.27	307.10	4.08	-49.19
CC1=NC(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)=CS1	REAL300008004980	0	34	-1.0	-52.07	313.65	2.59	-49.48
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300008004981	0	35	-1.0	-56.76	323.54	5.39	-51.37
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1Cl	REAL300008004982	0	35	-1.0	-48.47	318.71	5.30	-43.17
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300008004983	0	38	-1.0	-53.73	331.63	5.17	-48.56
CC1=CSC(C2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C2)=N1	REAL300008004984	0	41	-1.0	-51.16	369.48	5.66	-45.50
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300008004985	0	40	-1.0	-52.54	335.50	5.37	-47.17
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300008004986	0	39	-1.0	-55.56	348.65	2.04	-53.52
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300008004987	0	41	-1.0	-52.70	336.71	4.53	-48.17
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300008004988	0	35	-1.0	-49.51	326.94	5.41	-44.10
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300008004989	0	57	-1.0	-49.94	463.58	9.12	-40.82
CCC(C)OC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300008004990	0	45	-1.0	-50.08	373.29	5.85	-44.23
COC(CS(=O)(=O)NC1CC(CC(=O)[O-])C1)C1CCCC1	REAL300008004991	0	45	-1.0	-49.22	357.80	4.96	-44.26
COC(CS(=O)(=O)NC1CC(CC(=O)[O-])C1)C1CCCCC1	REAL300008004992	0	48	-1.0	-48.58	375.28	5.21	-43.37
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300008004993	0	46	-1.0	-51.45	400.73	7.55	-43.90
CCOC(CS(=O)(=O)NC1CC(CC(=O)[O-])C1)C1CC1	REAL300008004994	0	42	-1.0	-50.72	347.78	4.69	-46.03
CCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(C)C	REAL300008004995	0	51	-1.0	-49.42	414.72	7.24	-42.18
CCC1=NC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CN1CC1CC1	REAL300008004996	0	45	-1.0	-54.25	381.44	6.20	-48.05
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300008004997	0	35	-1.0	-50.12	323.00	3.70	-46.42
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300008004998	0	40	-1.0	-54.71	346.35	6.64	-48.07
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300008004999	0	39	-1.0	-50.75	326.72	3.92	-46.83
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300008005000	0	45	-1.0	-50.90	384.20	6.52	-44.38
COC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008006170	0	33	-1.0	-42.95	284.61	1.58	-41.37
COC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008006171	0	34	-1.0	-42.23	329.94	3.13	-39.10
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006172	0	40	-1.0	-46.10	331.00	2.25	-43.85
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C	REAL300008006173	0	40	-1.0	-46.75	359.46	-1.49	-48.24
COC[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008006174	0	47	-1.0	-45.15	355.22	3.10	-42.05
COC[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300008006175	0	37	-1.0	-53.18	312.52	3.01	-50.17
COC[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006176	0	37	-1.0	-53.30	328.50	3.23	-50.07
COC[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008006177	0	40	-1.0	-47.44	343.35	-0.06	-47.50
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006178	0	43	-1.0	-44.90	372.34	2.47	-42.43
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006179	0	43	-1.0	-47.01	382.82	2.67	-44.34
COC[C@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300008006180	0	45	-1.0	-42.18	364.24	2.71	-39.47
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300008006181	0	44	-1.0	-42.80	370.02	2.90	-39.90
COC[C@H](NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008006182	0	36	-1.0	-44.60	334.74	1.70	-42.90
COC[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008006183	0	37	-1.0	-46.47	326.16	-0.83	-47.30
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300008006184	0	33	-1.0	-44.98	316.99	1.32	-43.66
COC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008006185	0	33	-1.0	-42.20	291.67	1.75	-40.45
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300008006186	0	35	-1.0	-44.39	321.73	2.14	-42.25
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300008006187	0	35	-1.0	-41.67	319.17	3.25	-38.42
COC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300008006188	0	35	-1.0	-42.48	319.15	3.26	-39.22
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008006189	0	35	-1.0	-42.52	320.61	2.90	-39.62
COC[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300008006190	0	38	-1.0	-45.35	317.11	3.37	-41.98
CCOC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006191	0	36	-1.0	-47.72	319.21	1.66	-46.06
COCCN1C=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=N1	REAL300008006192	0	36	-1.0	-48.73	327.86	-0.96	-49.69
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008006193	0	36	-1.0	-50.90	332.47	1.96	-48.94
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1C	REAL300008006194	0	56	-1.0	-49.19	455.32	6.00	-43.19
COC[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300008006195	0	43	-1.0	-48.60	378.93	-0.64	-49.24
COC[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008006196	0	37	-1.0	-45.81	340.15	3.55	-42.26
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008006197	0	34	-1.0	-51.43	309.04	1.81	-49.62
COC[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008006198	0	32	-1.0	-45.06	311.73	2.71	-42.35
COC[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008006199	0	32	-1.0	-46.44	304.05	2.62	-43.82
COC[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008006200	0	36	-1.0	-58.98	332.47	-0.69	-59.67
COC[C@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300008006201	0	32	-1.0	-44.58	310.81	2.70	-41.88
COC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300008006202	0	32	-1.0	-43.72	299.06	2.80	-40.92
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006203	0	36	-1.0	-45.67	309.18	1.36	-44.31
COC[C@H](NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300008006204	0	33	-1.0	-45.10	318.01	1.39	-43.71
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300008006205	0	37	-1.0	-44.06	323.84	1.39	-42.67
COC[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008006206	0	32	-1.0	-50.52	312.06	0.48	-50.04
COC[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008006207	0	32	-1.0	-46.50	305.79	0.32	-46.18
COC[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008006208	0	40	-1.0	-48.90	345.54	2.67	-46.23
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008006209	0	32	-1.0	-49.42	307.16	0.48	-48.94
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300008006210	0	32	-1.0	-43.86	311.54	3.03	-40.83
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006211	0	41	-1.0	-53.97	369.85	0.61	-53.36
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006212	0	46	-1.0	-51.84	402.99	1.11	-50.73
COC[C@H](NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300008006213	0	33	-1.0	-47.86	303.21	2.49	-45.37
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006214	0	46	-1.0	-52.27	409.09	-0.10	-52.37
COC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008006215	0	37	-1.0	-50.49	347.05	-1.81	-52.30
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C(OC)=C1	REAL300008006216	0	44	-1.0	-48.23	376.86	-0.98	-49.21
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C(F)=C1	REAL300008006217	0	43	-1.0	-48.55	380.11	-0.64	-49.19
COC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008006218	0	40	-1.0	-53.16	340.71	1.74	-51.42
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1F	REAL300008006219	0	43	-1.0	-48.62	389.78	-0.11	-48.73
COC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300008006220	0	44	-1.0	-51.38	363.48	2.22	-49.16
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1F	REAL300008006221	0	40	-1.0	-48.96	368.28	-0.90	-49.86
CCC1=CC=C(CS(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006222	0	38	-1.0	-45.22	330.33	3.49	-41.73
COC[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008006223	0	44	-1.0	-47.50	379.94	1.84	-45.66
COC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008006224	0	41	-1.0	-51.57	355.19	1.79	-49.78
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006225	0	38	-1.0	-55.72	350.03	-0.15	-55.87
COC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300008006226	0	39	-1.0	-49.27	338.92	-0.98	-50.25
COC[C@H](NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300008006227	0	38	-1.0	-47.11	328.85	3.30	-43.81
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1Br	REAL300008006228	0	36	-1.0	-45.55	337.96	2.29	-43.26
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008006229	0	43	-1.0	-49.71	374.38	4.46	-45.25
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008006230	0	33	-1.0	-42.43	303.93	1.93	-40.50
COC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008006231	0	35	-1.0	-43.99	346.68	-0.48	-44.47
COC[C@H](NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300008006232	0	36	-1.0	-47.43	333.80	1.93	-45.50
COC[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008006233	0	43	-1.0	-49.32	381.10	3.36	-45.96
COC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300008006234	0	36	-1.0	-44.15	319.69	2.41	-41.74
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300008006235	0	41	-1.0	-49.27	358.82	2.96	-46.31
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006236	0	36	-1.0	-50.17	330.54	-3.88	-54.05
COC[C@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008006237	0	35	-1.0	-50.62	318.54	3.00	-47.62
COC[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008006238	0	32	-1.0	-44.72	321.83	3.36	-41.36
COC[C@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008006239	0	35	-1.0	-45.95	335.47	4.32	-41.63
COC[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008006240	0	32	-1.0	-45.99	321.44	3.30	-42.69
COC[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008006241	0	35	-1.0	-50.58	326.08	4.28	-46.30
COC[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008006242	0	35	-1.0	-45.54	329.12	3.21	-42.33
COC[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008006243	0	40	-1.0	-47.20	347.83	2.73	-44.47
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008006244	0	43	-1.0	-44.07	365.63	4.71	-39.36
COC[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008006245	0	42	-1.0	-50.39	372.74	2.92	-47.47
COC[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008006246	0	40	-1.0	-47.92	363.69	-1.61	-49.53
COC[C@H](NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300008006247	0	38	-1.0	-48.62	332.49	4.30	-44.32
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300008006248	0	40	-1.0	-46.89	343.01	2.08	-44.81
COC[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008006249	0	35	-1.0	-46.19	327.08	3.31	-42.88
COC[C@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008006250	0	34	-1.0	-48.11	290.87	-1.79	-49.90
COC[C@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008006251	0	42	-1.0	-45.89	350.38	1.84	-44.05
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300008006252	0	36	-1.0	-44.30	325.52	1.96	-42.34
COC[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008006253	0	38	-1.0	-54.01	351.12	-0.39	-54.40
COC[C@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300008006254	0	33	-1.0	-46.89	323.33	2.89	-44.00
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006255	0	41	-1.0	-49.73	344.32	1.89	-47.84
COC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008006256	0	37	-1.0	-47.70	339.25	-0.02	-47.72
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C12	REAL300008006257	0	36	-1.0	-48.22	329.10	-0.85	-49.07
COC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008006258	0	40	-1.0	-49.92	364.68	1.24	-48.68
COC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300008006259	0	34	-1.0	-48.00	312.21	0.57	-47.43
COC[C@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300008006260	0	35	-1.0	-46.24	335.30	4.31	-41.93
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C(CC)=C1	REAL300008006261	0	47	-1.0	-44.09	361.58	5.78	-38.31
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006262	1	44	-1.0	-52.79	387.01	-1.51	-54.30
COC[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300008006263	0	36	-1.0	-59.39	308.35	1.95	-57.44
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008006264	0	35	-1.0	-43.10	334.80	-0.51	-43.61
COC[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008006265	0	38	-1.0	-47.10	331.48	5.07	-42.03
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300008006266	0	36	-1.0	-47.15	315.27	1.60	-45.55
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008006267	0	38	-1.0	-50.63	328.67	2.85	-47.78
COC[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008006269	0	37	-1.0	-49.57	337.30	2.72	-46.85
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006270	0	36	-1.0	-44.05	339.66	1.67	-42.38
COC[C@H](NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300008006271	0	35	-1.0	-49.46	317.16	2.80	-46.66
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008006273	0	29	-1.0	-41.37	298.76	1.60	-39.77
COC[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008006274	0	42	-1.0	-45.78	353.97	4.61	-41.17
COC[C@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008006275	0	40	-1.0	-47.33	348.55	2.11	-45.22
COC[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008006276	0	38	-1.0	-49.72	325.00	-1.48	-51.20
COC[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008006277	0	32	-1.0	-47.29	302.37	1.87	-45.42
COC[C@H](NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300008006278	0	34	-1.0	-45.05	312.46	0.55	-44.50
COC[C@H](NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300008006279	0	41	-1.0	-47.03	346.31	3.00	-44.03
COC[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008006280	0	40	-1.0	-60.85	339.92	-1.51	-62.36
COC[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300008006281	0	38	-1.0	-48.16	318.63	2.51	-45.65
COC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C(=O)[O-]	REAL300008006282	0	44	-1.0	-52.28	389.59	4.66	-47.62
COC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300008006283	0	48	-1.0	-49.39	409.62	2.20	-47.19
CCC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008006284	0	37	-1.0	-49.19	330.66	3.25	-45.94
COC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008006285	0	29	-1.0	-43.35	289.41	2.04	-41.31
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008006286	0	31	-1.0	-42.68	296.33	2.09	-40.59
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300008006287	0	35	-1.0	-49.23	313.80	3.71	-45.52
COC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008006288	0	31	-1.0	-44.98	296.32	2.09	-42.89
COC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300008006289	0	34	-1.0	-43.52	309.22	2.95	-40.57
COC[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006290	0	31	-1.0	-52.86	285.53	2.89	-49.97
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006291	0	36	-1.0	-43.30	321.74	2.70	-40.60
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006292	0	36	-1.0	-46.94	319.45	1.64	-45.30
COC[C@H](NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300008006293	0	41	-1.0	-47.41	328.66	4.06	-43.35
COC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300008006294	0	38	-1.0	-46.44	315.27	3.63	-42.81
COC[C@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300008006295	0	44	-1.0	-45.77	356.55	4.59	-41.18
COC[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008006296	0	32	-1.0	-43.83	306.83	2.42	-41.41
COC[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008006297	0	32	-1.0	-46.57	288.25	2.86	-43.71
COC[C@H](NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300008006298	0	34	-1.0	-48.05	308.94	1.89	-46.16
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008006299	0	35	-1.0	-47.39	323.62	2.16	-45.23
COC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300008006300	0	41	-1.0	-45.91	342.41	3.71	-42.20
COC[C@H](NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300008006301	0	38	-1.0	-46.79	328.34	3.34	-43.45
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006302	0	46	-1.0	-50.81	402.94	1.11	-49.70
COC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008006303	0	40	-1.0	-52.04	364.43	-0.62	-52.66
CCCC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006304	0	38	-1.0	-45.19	330.58	3.61	-41.58
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300008006305	0	33	-1.0	-46.94	318.03	1.39	-45.55
COC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008006306	0	35	-1.0	-41.27	345.90	3.44	-37.83
COC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300008006307	0	32	-1.0	-43.12	305.68	2.58	-40.54
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300008006308	0	43	-1.0	-49.10	378.22	4.93	-44.17
COC[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008006309	0	33	-1.0	-41.90	312.18	1.18	-40.72
COC[C@H](NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300008006310	0	44	-1.0	-48.19	341.98	4.50	-43.69
COC[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008006311	0	38	-1.0	-51.91	330.93	1.35	-50.56
COC[C@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300008006312	0	45	-1.0	-46.80	356.45	3.54	-43.26
COC[C@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300008006313	0	36	-1.0	-50.25	343.29	3.82	-46.43
COC[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008006314	0	34	-1.0	-47.63	310.39	2.58	-45.05
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300008006315	0	33	-1.0	-42.86	299.51	2.13	-40.73
COC[C@H](NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300008006316	0	47	-1.0	-47.35	370.35	5.26	-42.09
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008006317	0	32	-1.0	-42.88	306.86	2.42	-40.46
COC[C@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300008006318	0	39	-1.0	-47.69	330.57	3.93	-43.76
COC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300008006319	0	37	-1.0	-46.79	307.67	0.80	-45.99
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300008006320	0	37	-1.0	-48.31	324.93	0.60	-47.71
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300008006321	0	37	-1.0	-47.22	319.54	3.75	-43.47
COC[C@H](NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008006322	0	34	-1.0	-48.21	304.03	1.27	-46.94
COC[C@H](NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300008006323	0	44	-1.0	-46.03	371.56	4.92	-41.11
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1OCC	REAL300008006324	0	43	-1.0	-49.81	370.55	2.46	-47.35
COC[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008006325	0	34	-1.0	-52.09	322.29	-3.62	-55.71
COC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300008006326	0	37	-1.0	-43.74	326.46	3.48	-40.26
COC[C@H](NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300008006327	0	37	-1.0	-52.80	312.56	3.06	-49.74
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006328	0	35	-1.0	-52.23	315.02	2.19	-50.04
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300008006329	0	33	-1.0	-43.11	294.94	2.02	-41.09
COC[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008006330	0	34	-1.0	-52.67	322.29	-3.62	-56.29
COC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008006331	0	41	-1.0	-51.47	375.20	-0.76	-52.23
COC[C@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300008006332	0	37	-1.0	-48.01	333.37	2.78	-45.23
COC[C@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300008006333	0	38	-1.0	-46.09	324.94	2.75	-43.34
COC[C@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300008006334	0	37	-1.0	-49.95	324.08	2.71	-47.24
COC[C@H](NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006335	0	37	-1.0	-51.92	319.25	4.02	-47.90
COC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008006336	0	40	-1.0	-52.50	362.85	-0.55	-53.05
COC[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008006337	0	41	-1.0	-56.66	353.79	0.77	-55.89
COC[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008006338	0	35	-1.0	-56.37	328.56	-1.04	-57.41
COC[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008006339	0	39	-1.0	-47.22	330.45	5.19	-42.03
COC[C@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008006340	0	35	-1.0	-51.52	309.71	3.73	-47.79
COC[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008006341	0	39	-1.0	-48.73	342.29	4.83	-43.90
COC[C@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008006342	0	43	-1.0	-47.88	357.53	3.46	-44.42
COC[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008006343	0	30	-1.0	-49.16	277.70	-0.18	-49.34
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300008006344	0	33	-1.0	-42.90	294.94	2.02	-40.88
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006345	0	44	-1.0	-47.13	358.55	4.21	-42.92
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300008006346	0	32	-1.0	-43.99	301.66	2.50	-41.49
COC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300008006347	0	39	-1.0	-45.89	335.46	2.24	-43.65
COC[C@H](NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300008006348	0	30	-1.0	-52.81	271.87	0.49	-52.32
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006349	0	34	-1.0	-47.54	324.62	3.92	-43.62
COC[C@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008006350	0	34	-1.0	-52.18	291.17	2.42	-49.76
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008006351	0	40	-1.0	-49.85	371.69	4.78	-45.07
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300008006352	0	35	-1.0	-42.10	306.44	2.18	-39.92
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300008006353	0	33	-1.0	-48.24	303.83	0.79	-47.45
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008006354	0	40	-1.0	-45.85	373.52	4.78	-41.07
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300008006355	0	44	-1.0	-48.01	384.41	3.53	-44.48
COC[C@H](NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300008006356	0	56	-1.0	-46.07	426.77	7.38	-38.69
COC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300008006357	0	45	-1.0	-50.70	376.78	4.68	-46.02
COC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008006358	0	32	-1.0	-42.56	322.35	3.06	-39.50
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300008006359	0	39	-1.0	-49.93	336.78	3.11	-46.82
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008006360	0	34	-1.0	-40.96	306.17	2.86	-38.10
COC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008006361	0	34	-1.0	-45.77	302.82	2.75	-43.02
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006362	0	37	-1.0	-42.65	324.42	3.73	-38.92
COC[C@H](NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300008006363	0	41	-1.0	-45.13	347.40	4.08	-41.05
COCCC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006364	0	39	-1.0	-45.44	342.76	1.90	-43.54
COCCN(CCOC)S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006365	0	41	-1.0	-44.51	340.90	-1.38	-45.89
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300008006366	0	32	-1.0	-42.72	297.05	2.79	-39.93
COC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300008006367	0	39	-1.0	-47.87	341.44	2.32	-45.55
COC[C@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300008006368	0	45	-1.0	-46.49	380.02	3.74	-42.75
COC[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008006369	0	43	-1.0	-46.36	362.75	3.64	-42.72
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300008006370	0	42	-1.0	-45.61	359.14	3.11	-42.50
CCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006371	0	39	-1.0	-45.57	339.03	2.42	-43.15
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300008006372	0	33	-1.0	-47.05	313.64	1.27	-45.78
COC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300008006373	0	33	-1.0	-47.36	323.39	1.55	-45.81
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300008006374	0	36	-1.0	-47.66	317.66	1.46	-46.20
COC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300008006375	0	42	-1.0	-47.76	357.46	3.01	-44.75
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300008006376	0	36	-1.0	-45.89	310.15	1.56	-44.33
COCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006377	0	40	-1.0	-49.13	351.16	0.89	-48.24
COC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008006378	0	32	-1.0	-42.20	302.14	2.89	-39.31
COC[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300008006379	0	37	-1.0	-50.82	315.01	4.27	-46.55
COC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300008006380	0	38	-1.0	-55.16	341.17	-0.21	-55.37
COC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300008006381	0	41	-1.0	-51.26	377.13	-0.74	-52.00
COC[C@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300008006382	0	32	-1.0	-48.43	305.26	2.74	-45.69
COC[C@H](NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300008006383	0	33	-1.0	-45.53	303.82	0.79	-44.74
COC[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008006384	0	39	-1.0	-49.25	342.30	4.83	-44.42
COC[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008006385	0	32	-1.0	-41.91	323.90	3.11	-38.80
COC[C@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300008006386	0	35	-1.0	-48.04	345.65	1.97	-46.07
COC[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300008006387	0	49	-1.0	-45.47	400.78	5.01	-40.46
CNC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CN1C	REAL300008006388	0	37	-1.0	-48.40	330.07	-0.95	-49.35
COC[C@H](NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300008006389	0	39	-1.0	-46.87	323.74	2.26	-44.61
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008006390	0	40	-1.0	-50.45	352.34	5.53	-44.92
COC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300008006391	0	39	-1.0	-46.07	330.41	2.31	-43.76
COC[C@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300008006392	0	37	-1.0	-50.14	313.55	2.60	-47.54
COC[C@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300008006393	0	34	-1.0	-52.15	305.02	1.93	-50.22
CCN1C=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008006394	0	34	-1.0	-58.01	318.77	2.28	-55.73
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008006395	0	36	-1.0	-44.53	337.11	2.08	-42.45
COC[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008006396	0	43	-1.0	-46.80	377.45	4.68	-42.12
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006397	0	37	-1.0	-51.90	331.19	2.68	-49.22
COC[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008006398	0	39	-1.0	-49.67	353.84	3.00	-46.67
COC[C@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300008006399	0	51	-1.0	-45.16	401.96	4.19	-40.97
COC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008006400	0	37	-1.0	-47.04	341.66	-1.88	-48.92
COC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008006401	0	44	-1.0	-55.73	390.04	0.55	-55.18
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C2=CC=CC=C12	REAL300008006402	0	42	-1.0	-49.01	354.31	3.89	-45.12
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006403	0	39	-1.0	-47.06	321.88	2.74	-44.32
COC[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008006404	0	34	-1.0	-55.69	316.44	1.58	-54.11
COC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008006405	0	36	-1.0	-50.97	328.67	2.53	-48.44
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006406	0	43	-1.0	-49.28	373.02	1.85	-47.43
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006407	0	45	-1.0	-46.46	383.95	4.00	-42.46
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300008006408	0	39	-1.0	-46.36	318.34	3.94	-42.42
COC[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300008006409	0	33	-1.0	-43.00	324.49	2.88	-40.12
COC[C@H](NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300008006410	0	34	-1.0	-45.14	302.18	0.69	-44.45
COC[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008006411	0	37	-1.0	-56.78	330.32	2.63	-54.15
COC[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008006412	0	34	-1.0	-46.75	316.38	1.59	-45.16
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C(C)=C1	REAL300008006413	0	39	-1.0	-45.69	330.53	2.45	-43.24
COC[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008006414	0	33	-1.0	-46.11	287.25	1.42	-44.69
COC[C@H](NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300008006415	0	33	-1.0	-46.80	308.30	2.44	-44.36
COC[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008006416	0	35	-1.0	-45.32	329.16	3.09	-42.23
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006417	0	40	-1.0	-42.50	332.31	3.27	-39.23
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008006418	0	35	-1.0	-50.08	310.05	1.04	-49.04
COC[C@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300008006419	0	34	-1.0	-47.95	299.09	1.71	-46.24
COC[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300008006420	0	41	-1.0	-49.95	361.79	3.40	-46.55
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300008006421	0	35	-1.0	-43.73	320.61	2.91	-40.82
COC[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300008006422	0	35	-1.0	-48.34	327.33	2.56	-45.78
COC[C@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008006423	0	38	-1.0	-49.37	332.94	3.02	-46.35
COC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300008006424	0	37	-1.0	-49.07	332.51	1.12	-47.95
COCC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006425	0	36	-1.0	-47.05	323.17	1.14	-45.91
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008006426	0	40	-1.0	-52.36	345.07	2.64	-49.72
COC[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008006427	0	32	-1.0	-46.72	300.84	2.49	-44.23
COC[C@H](NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300008006428	0	37	-1.0	-44.12	328.25	1.51	-42.61
COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300008006429	0	37	-1.0	-50.13	323.31	1.99	-48.14
COC[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008006430	0	32	-1.0	-48.45	316.45	2.99	-45.46
COC[C@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008006431	0	37	-1.0	-47.98	325.01	2.02	-45.96
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006432	0	41	-1.0	-43.64	318.88	4.34	-39.30
COC[C@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300008006433	0	41	-1.0	-44.75	352.54	0.30	-44.45
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300008006434	0	40	-1.0	-46.20	371.60	4.76	-41.44
COC[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008006435	0	35	-1.0	-51.16	334.53	2.09	-49.07
COC[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300008006436	0	35	-1.0	-47.65	351.25	2.61	-45.04
COC[C@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300008006437	0	38	-1.0	-51.41	342.59	0.45	-50.96
COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008006438	0	32	-1.0	-49.51	302.86	0.27	-49.24
COC[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300008006439	0	32	-1.0	-46.49	293.90	0.09	-46.40
COC[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300008006440	0	37	-1.0	-47.78	319.89	2.02	-45.76
COC[C@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300008006441	0	39	-1.0	-50.34	349.83	3.22	-47.12
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008006442	0	37	-1.0	-47.07	341.87	2.54	-44.53
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300008006443	0	34	-1.0	-43.42	314.99	2.72	-40.70
COC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300008006444	0	40	-1.0	-56.40	355.84	2.19	-54.21
COC[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008006445	0	31	-1.0	-49.02	300.10	0.90	-48.12
COC[C@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300008006446	0	37	-1.0	-47.67	317.28	1.78	-45.89
COC[C@H](NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300008006447	0	38	-1.0	-48.61	333.48	4.33	-44.28
COC[C@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300008006448	0	37	-1.0	-48.84	319.61	1.81	-47.03
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300008006449	0	34	-1.0	-51.08	303.36	1.23	-49.85
COC[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300008006450	0	34	-1.0	-48.68	310.80	1.38	-47.30
COC[C@H](NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300008006451	0	34	-1.0	-48.68	301.99	1.24	-47.44
COC[C@H](NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008006452	0	35	-1.0	-44.21	328.66	3.40	-40.81
COC[C@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008006453	0	41	-1.0	-50.59	342.32	1.97	-48.62
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008006454	0	31	-1.0	-44.77	302.82	0.66	-44.11
COC[C@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300008006455	0	37	-1.0	-53.47	321.30	1.95	-51.52
COC[C@H](NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008006456	0	37	-1.0	-45.50	324.01	3.42	-42.08
COC[C@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006457	0	37	-1.0	-52.69	319.33	4.33	-48.36
COC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300008006458	0	37	-1.0	-44.43	324.66	3.44	-40.99
COC[C@H](NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008006459	0	39	-1.0	-46.46	341.44	2.18	-44.28
COC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008006460	0	38	-1.0	-47.04	341.09	3.07	-43.97
COC[C@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300008006461	0	37	-1.0	-50.15	326.84	0.04	-50.11
COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300008006462	0	35	-1.0	-43.71	301.83	0.65	-43.06
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300008006463	0	33	-1.0	-45.11	313.63	1.27	-43.84
COC[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008006464	0	37	-1.0	-52.74	314.64	3.01	-49.73
CCC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1CC	REAL300008006465	0	41	-1.0	-48.12	345.17	3.98	-44.14
COC[C@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008006466	0	37	-1.0	-42.81	323.17	3.67	-39.14
COC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300008006467	0	39	-1.0	-49.84	330.62	3.21	-46.63
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300008006468	0	30	-1.0	-42.92	290.69	-0.73	-43.65
COC[C@H](NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300008006469	0	36	-1.0	-49.01	316.09	1.25	-47.76
COC[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300008006470	0	35	-1.0	-51.27	311.54	3.26	-48.01
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300008006471	0	32	-1.0	-46.51	276.53	-0.20	-46.71
COC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300008006472	0	35	-1.0	-44.72	315.14	2.75	-41.97
COC[C@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300008006473	0	36	-1.0	-50.41	322.19	1.16	-49.25
COC[C@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300008006474	0	31	-1.0	-49.88	285.34	1.26	-48.62
COC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008006475	0	32	-1.0	-42.29	304.18	2.57	-39.72
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300008006476	0	32	-1.0	-43.10	301.65	2.50	-40.60
COC[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300008006477	0	35	-1.0	-52.19	316.20	2.40	-49.79
COC[C@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300008006478	0	38	-1.0	-47.08	352.43	2.86	-44.22
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300008006479	0	37	-1.0	-50.80	319.16	2.61	-48.19
COC[C@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300008006480	0	36	-1.0	-49.78	331.30	-0.75	-50.53
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300008006481	0	38	-1.0	-53.74	316.52	2.05	-51.69
COC[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300008006482	0	32	-1.0	-45.34	310.40	2.61	-42.73
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006483	0	54	-1.0	-45.42	446.53	6.32	-39.10
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006484	0	39	-1.0	-42.87	340.34	3.70	-39.17
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006485	0	42	-1.0	-48.59	358.13	3.07	-45.52
COC[C@H](NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300008006486	0	42	-1.0	-43.59	337.68	1.60	-41.99
COC[C@H](NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300008006487	0	45	-1.0	-44.59	356.87	2.18	-42.41
COC[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300008006488	0	43	-1.0	-49.42	385.59	4.77	-44.65
CCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C(C)C	REAL300008006489	0	48	-1.0	-46.55	397.67	4.44	-42.11
CCC1=NC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CN1CC1CC1	REAL300008006490	0	42	-1.0	-56.89	358.17	4.12	-52.77
COC[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300008006491	0	32	-1.0	-45.78	305.94	0.93	-44.85
COC[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008006492	0	37	-1.0	-47.06	325.76	3.73	-43.33
COC[C@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300008006493	0	36	-1.0	-45.75	312.60	1.25	-44.50
COC[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300008006494	0	42	-1.0	-47.32	369.08	3.75	-43.57
COC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300008006495	0	32	-1.0	-43.83	307.79	-0.01	-43.84
COC[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008006496	0	40	-1.0	-47.91	366.83	5.49	-42.42
COC[C@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300008006497	0	39	-1.0	-53.99	334.80	4.78	-49.21
COC[C@H](NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300008006498	0	49	-1.0	-48.97	423.20	6.33	-42.64
CCC1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C(C)C=C1OC	REAL300008006499	0	42	-1.0	-44.77	346.95	2.77	-42.00
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008006500	0	35	-1.0	-41.67	337.41	3.27	-38.40
COC[C@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006501	1	31	-1.0	-52.63	289.41	0.18	-52.45
COC[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300008006502	0	38	-1.0	-49.46	317.82	4.53	-44.93
COC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300008006503	0	38	-1.0	-45.80	335.36	-0.04	-45.84
COC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300008006504	0	33	-1.0	-49.07	301.00	1.43	-47.64
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C(C)C	REAL300008006505	0	45	-1.0	-46.90	376.17	3.64	-43.26
COC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300008006506	0	41	-1.0	-45.57	346.32	3.67	-41.90
COC[C@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008006507	0	48	-1.0	-44.70	389.30	5.86	-38.84
COC[C@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300008006508	0	39	-1.0	-48.91	325.41	1.43	-47.48
COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300008006509	0	41	-1.0	-44.45	335.23	1.34	-43.11
COC[C@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300008006510	0	39	-1.0	-50.49	335.51	1.78	-48.71
COC[C@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300008006511	0	32	-1.0	-45.31	297.72	0.18	-45.13
COC[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008006512	0	36	-1.0	-47.89	322.02	1.47	-46.42
C=CCCC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300008006513	0	39	-1.0	-45.04	343.39	4.17	-40.87
CCCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C(C)C	REAL300008006514	0	51	-1.0	-46.00	419.15	5.22	-40.78
COC[C@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008006515	0	33	-1.0	-45.22	316.50	3.14	-42.08
CCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C(C)(C)C	REAL300008006516	0	51	-1.0	-47.20	410.22	5.11	-42.09
CCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1CC	REAL300008006517	0	45	-1.0	-47.20	382.65	3.93	-43.27
COC[C@H](NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300008006518	0	35	-1.0	-43.44	311.01	3.48	-39.96
COC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008006519	0	35	-1.0	-43.08	327.52	3.29	-39.79
COC[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008006520	0	33	-1.0	-47.81	314.25	3.03	-44.78
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006521	0	38	-1.0	-44.43	317.17	3.84	-40.59
COC[C@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008006522	0	45	-1.0	-49.60	379.58	4.19	-45.41
COC[C@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300008006523	0	34	-1.0	-52.20	304.12	1.94	-50.26
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300008006524	0	44	-1.0	-48.80	397.02	5.28	-43.52
COC[C@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300008006525	0	36	-1.0	-49.69	317.76	1.12	-48.57
COC[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300008006526	0	36	-1.0	-47.85	313.33	1.40	-46.45
COC[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300008006527	0	39	-1.0	-46.69	334.99	1.93	-44.76
COC[C@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300008006528	0	40	-1.0	-47.38	327.02	-0.25	-47.63
COC[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300008006529	0	35	-1.0	-48.93	334.70	2.35	-46.58
COC[C@H](NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300008006530	0	36	-1.0	-50.09	307.39	1.36	-48.73
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C(C)C	REAL300008006531	0	54	-1.0	-46.36	440.66	6.00	-40.36
COC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300008006532	0	45	-1.0	-46.62	366.61	3.43	-43.19
COC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300008006533	0	39	-1.0	-45.76	340.00	2.85	-42.91
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C(C)C	REAL300008006534	0	52	-1.0	-50.27	431.65	3.86	-46.41
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300008006535	0	37	-1.0	-48.20	306.28	1.87	-46.33
COC[C@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008006536	0	37	-1.0	-46.37	336.54	1.11	-45.26
COC[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300008006537	0	35	-1.0	-50.38	318.32	1.94	-48.44
COC[C@H](NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300008006538	0	34	-1.0	-60.11	308.47	1.02	-59.09
COC[C@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300008006539	0	30	-1.0	-42.79	281.07	0.18	-42.61
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300008006540	0	32	-1.0	-49.40	306.70	2.88	-46.52
COC[C@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300008006541	0	36	-1.0	-49.06	318.59	1.18	-47.88
COC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300008006542	0	38	-1.0	-45.92	320.62	3.68	-42.24
COC[C@H](NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300008006543	0	37	-1.0	-51.75	324.08	1.24	-50.51
COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300008006544	0	42	-1.0	-49.59	353.04	2.27	-47.32
COC[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300008006545	0	41	-1.0	-50.60	346.94	2.04	-48.56
CCCCN1C=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C(C)=N1	REAL300008006546	0	41	-1.0	-49.71	356.49	2.10	-47.61
COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300008006547	0	36	-1.0	-50.20	323.70	1.25	-48.95
COC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300008006548	0	33	-1.0	-49.15	307.36	1.00	-48.15
COC[C@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300008006549	0	34	-1.0	-58.96	299.61	-0.18	-59.14
COC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300008006550	0	35	-1.0	-43.76	320.49	3.47	-40.29
COC[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300008006551	0	35	-1.0	-43.62	335.98	2.54	-41.08
COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300008006552	0	39	-1.0	-49.49	338.49	1.75	-47.74
COC[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300008006553	0	47	-1.0	-45.28	374.70	5.21	-40.07
COC[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300008006554	0	35	-1.0	-43.30	339.06	3.31	-39.99
COC[C@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300008006555	0	39	-1.0	-49.80	342.08	2.06	-47.74
COC[C@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300008006556	0	33	-1.0	-45.30	293.61	2.15	-43.15
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300008006557	0	40	-1.0	-42.45	343.82	4.29	-38.16
COC[C@H](NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008006558	0	38	-1.0	-60.08	332.62	2.64	-57.44
CCCC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006559	0	38	-1.0	-46.53	332.49	3.63	-42.90
COC[C@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300008006560	0	36	-1.0	-48.96	310.49	0.92	-48.04
COC[C@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300008006561	0	38	-1.0	-46.38	311.60	1.30	-45.08
COC[C@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300008006562	0	38	-1.0	-48.95	332.59	1.13	-47.82
COC[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300008006563	0	36	-1.0	-47.48	316.49	0.44	-47.04
COC[C@H](NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008006564	0	34	-1.0	-43.75	319.02	1.23	-42.52
COC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008006565	0	32	-1.0	-41.88	313.57	2.49	-39.39
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006566	0	40	-1.0	-51.63	352.68	3.46	-48.17
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300008006567	0	40	-1.0	-46.17	329.94	4.27	-41.90
COC[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300008006568	0	35	-1.0	-43.91	324.73	2.32	-41.59
COC[C@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008006569	0	35	-1.0	-47.04	309.49	1.87	-45.17
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300008006570	0	39	-1.0	-45.05	364.29	2.19	-42.86
COC[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300008006571	0	29	-1.0	-43.69	282.44	1.67	-42.02
COC[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300008006572	0	39	-1.0	-46.79	332.69	2.05	-44.74
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006573	0	38	-1.0	-45.33	319.47	1.08	-44.25
COC[C@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300008006574	0	43	-1.0	-43.27	332.36	2.22	-41.05
COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300008006575	0	43	-1.0	-48.53	361.98	0.46	-48.07
COC[C@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300008006576	0	35	-1.0	-47.18	321.07	2.97	-44.21
COC[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300008006577	0	33	-1.0	-47.97	307.11	1.01	-46.96
COC[C@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300008006578	0	44	-1.0	-44.18	363.48	4.10	-40.08
COC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008006579	0	40	-1.0	-55.81	339.30	3.78	-52.03
COC[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300008006580	0	37	-1.0	-41.82	323.62	1.54	-40.28
CCOCC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006581	0	39	-1.0	-47.04	345.02	2.10	-44.94
COC[C@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300008006582	0	32	-1.0	-47.41	325.47	3.43	-43.98
COC[C@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300008006583	0	39	-1.0	-50.27	347.53	2.63	-47.64
COC[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300008006584	0	42	-1.0	-50.00	354.49	2.37	-47.63
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008006585	0	40	-1.0	-47.78	356.79	4.27	-43.51
COC[C@H](NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300008006586	0	35	-1.0	-44.59	325.56	3.18	-41.41
COC[C@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300008006587	0	38	-1.0	-50.99	326.48	4.31	-46.68
COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008006588	0	39	-1.0	-52.87	339.08	2.74	-50.13
COC[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300008006589	0	33	-1.0	-46.26	306.18	2.69	-43.57
COC[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008006590	0	33	-1.0	-45.12	321.06	3.23	-41.89
COC[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008006591	0	33	-1.0	-46.00	321.06	3.24	-42.76
COC[C@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300008006592	0	34	-1.0	-44.93	309.87	-4.68	-49.61
COC[C@H](NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300008006593	0	35	-1.0	-40.58	297.21	1.68	-38.90
COC[C@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300008006594	0	31	-1.0	-49.30	299.04	0.82	-48.48
COC[C@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008006595	0	38	-1.0	-55.61	338.07	1.26	-54.35
COC[C@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300008006596	0	46	-1.0	-45.26	343.68	4.26	-41.00
COC[C@H](NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300008006597	0	32	-1.0	-46.97	294.85	-2.98	-49.95
COC[C@H](NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300008006598	0	37	-1.0	-48.78	304.63	1.84	-46.94
COC[C@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300008006599	0	37	-1.0	-57.17	337.16	-1.81	-58.98
COC[C@H](NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300008006600	0	42	-1.0	-45.03	339.91	1.74	-43.29
COC[C@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008006601	0	33	-1.0	-50.90	311.67	0.37	-50.53
COC[C@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300008006602	0	39	-1.0	-44.23	347.57	4.25	-39.98
COC[C@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300008006603	0	38	-1.0	-44.57	316.14	-1.21	-45.78
COC[C@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300008006604	0	42	-1.0	-44.07	332.98	3.37	-40.70
COC[C@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300008006605	0	33	-1.0	-46.25	310.01	2.72	-43.53
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300008006606	0	51	-1.0	-48.51	395.89	5.58	-42.93
COC[C@H](NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008006607	0	40	-1.0	-47.81	338.50	2.35	-45.46
COC[C@H](NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300008006608	0	34	-1.0	-46.51	317.47	-0.75	-47.26
COC[C@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300008006609	0	41	-1.0	-47.67	326.02	1.84	-45.83
COC[C@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300008006610	0	40	-1.0	-44.47	348.04	3.35	-41.12
COC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300008006611	0	33	-1.0	-47.87	315.68	2.21	-45.66
COC[C@H](NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008006612	0	33	-1.0	-46.37	303.74	0.96	-45.41
COC[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300008006613	0	33	-1.0	-47.61	311.68	1.04	-46.57
COC[C@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300008006614	0	35	-1.0	-50.02	309.59	1.36	-48.66
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300008006615	0	36	-1.0	-52.76	321.81	3.19	-49.57
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300008006616	0	38	-1.0	-44.25	345.06	1.87	-42.38
COC[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008006617	0	42	-1.0	-52.53	354.30	3.65	-48.88
COC[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008006618	0	40	-1.0	-50.93	358.53	4.33	-46.60
COC[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300008006619	0	35	-1.0	-48.87	300.27	3.25	-45.62
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300008006620	0	30	-1.0	-46.30	296.41	0.28	-46.02
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006621	0	40	-1.0	-48.06	351.19	3.05	-45.01
CCN1C=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C(C2CC2)=N1	REAL300008006622	0	39	-1.0	-50.54	345.17	2.11	-48.43
COC[C@H](NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300008006623	0	33	-1.0	-51.21	306.13	0.80	-50.41
COC[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300008006624	0	35	-1.0	-46.39	330.75	4.20	-42.19
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008006625	0	39	-1.0	-47.22	359.02	5.35	-41.87
COC[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300008006626	0	28	-1.0	-44.77	295.44	-0.60	-45.37
CCC1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CC=C1Br	REAL300008006627	0	35	-1.0	-44.38	327.14	3.29	-41.09
COC[C@H](NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300008006628	0	42	-1.0	-47.43	352.96	2.57	-44.86
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300008006629	0	43	-1.0	-45.87	354.78	2.00	-43.87
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300008006630	0	35	-1.0	-57.07	326.94	4.25	-52.82
COC[C@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300008006631	0	37	-1.0	-50.04	316.72	-0.93	-50.97
COC[C@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300008006632	0	35	-1.0	-47.45	331.03	1.22	-46.23
COC[C@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300008006633	0	44	-1.0	-47.83	370.00	1.80	-46.03
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300008006634	0	32	-1.0	-44.02	294.88	-0.96	-44.98
COC[C@H](NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300008006635	0	35	-1.0	-45.99	315.17	-1.15	-47.14
COC[C@H](NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300008006636	0	38	-1.0	-47.95	330.80	1.58	-46.37
COC[C@H](NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300008006637	0	38	-1.0	-49.15	332.17	1.08	-48.07
COC[C@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300008006638	0	39	-1.0	-48.30	324.19	-1.25	-49.55
COC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008006639	0	34	-1.0	-42.77	316.48	3.53	-39.24
COC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300008006640	0	40	-1.0	-50.15	332.48	2.42	-47.73
COC[C@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300008006641	0	36	-1.0	-46.10	316.82	1.61	-44.49
COC[C@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300008006642	0	36	-1.0	-51.16	319.07	2.71	-48.45
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300008006643	0	31	-1.0	-47.67	291.70	1.03	-46.64
COC[C@H](NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300008006644	0	34	-1.0	-51.54	302.03	1.79	-49.75
COC[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300008006645	0	38	-1.0	-47.54	331.11	1.17	-46.37
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300008006646	0	43	-1.0	-48.22	377.69	4.98	-43.24
COC[C@H](NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008006647	0	34	-1.0	-54.46	295.28	2.69	-51.77
COC[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300008006648	0	32	-1.0	-41.60	299.71	1.14	-40.46
COC[C@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300008006649	0	37	-1.0	-45.02	321.92	-2.88	-47.90
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300008006650	0	36	-1.0	-47.62	312.96	2.03	-45.59
COC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300008006651	0	35	-1.0	-42.82	315.17	-0.15	-42.97
COC[C@H](NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300008006652	0	34	-1.0	-49.26	305.33	1.81	-47.45
CCOC1=CC=CN=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006653	0	35	-1.0	-53.23	312.18	0.72	-52.51
COC[C@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008006654	0	37	-1.0	-53.05	309.12	2.95	-50.10
COC[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300008006655	0	31	-1.0	-50.08	288.84	1.28	-48.80
COC[C@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300008006656	0	36	-1.0	-47.67	325.05	1.81	-45.86
COC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300008006657	0	42	-1.0	-49.02	356.45	3.43	-45.59
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300008006658	0	31	-1.0	-40.53	289.38	4.54	-35.99
CC[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300008006659	0	32	-1.0	-42.93	280.13	3.53	-39.40
CC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008006660	0	34	-1.0	-53.96	317.00	0.58	-53.38
CC[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300008006661	0	32	-1.0	-39.86	300.04	2.82	-37.04
CC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300008006662	0	39	-1.0	-44.89	326.24	3.08	-41.81
CC[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008006663	0	44	-1.0	-43.11	355.91	6.84	-36.27
CC[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008006664	0	34	-1.0	-46.87	300.78	2.21	-44.66
CC[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008006665	0	28	-1.0	-43.78	273.05	3.79	-39.99
CC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008006666	0	28	-1.0	-41.49	277.59	3.68	-37.81
CC[C@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006667	0	33	-1.0	-48.78	294.83	5.52	-43.26
CC[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008006668	0	34	-1.0	-40.94	313.53	5.00	-35.94
CC[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300008006669	0	38	-1.0	-44.66	334.81	-0.46	-45.12
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300008006670	0	39	-1.0	-42.96	336.66	4.88	-38.08
CC[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008006671	0	37	-1.0	-53.85	339.08	1.23	-52.62
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300008006672	0	38	-1.0	-44.11	313.96	3.82	-40.29
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008006673	0	33	-1.0	-41.29	294.29	3.38	-37.91
CC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008006674	0	31	-1.0	-40.61	299.92	4.37	-36.24
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300008006675	0	45	-1.0	-43.12	392.05	2.21	-40.91
CC[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300008006676	0	37	-1.0	-51.58	328.26	4.38	-47.20
CC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300008006677	0	41	-1.0	-50.06	354.98	5.84	-44.22
CC[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300008006678	0	36	-1.0	-52.50	320.52	2.44	-50.06
CC[C@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300008006679	0	34	-1.0	-41.75	319.90	4.14	-37.61
CC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300008006680	0	36	-1.0	-53.08	325.87	2.72	-50.36
CC[C@H](NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300008006681	0	36	-1.0	-41.64	317.96	2.83	-38.81
CC[C@H](NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300008006682	0	31	-1.0	-42.33	295.81	4.27	-38.06
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300008006683	0	34	-1.0	-43.51	310.67	5.88	-37.63
CC[C@H](NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300008006684	0	38	-1.0	-43.91	351.76	7.11	-36.80
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300008006685	0	33	-1.0	-38.14	301.79	5.04	-33.10
CC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OCCOC)C(Cl)=C1)C(=O)[O-]	REAL300008006686	0	39	-1.0	-43.05	376.92	3.83	-39.22
CC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300008006687	0	32	-1.0	-44.35	299.51	2.68	-41.67
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300008006688	0	35	-1.0	-43.99	304.50	4.63	-39.36
CC[C@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300008006689	0	43	-1.0	-44.68	348.38	4.35	-40.33
CC[C@H](NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300008006690	0	39	-1.0	-46.07	321.49	2.87	-43.20
CC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008006693	0	33	-1.0	-38.98	316.19	4.75	-34.23
CC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300008006694	0	39	-1.0	-43.20	318.77	3.99	-39.21
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300008006695	0	39	-1.0	-44.36	347.66	0.17	-44.19
CC[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008006696	0	46	-1.0	-42.76	343.38	4.76	-38.00
CC[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300008006697	0	36	-1.0	-50.64	300.27	4.64	-46.00
CC[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006698	0	36	-1.0	-51.14	316.31	4.88	-46.26
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300008006699	0	46	-1.0	-42.23	377.18	5.69	-36.54
CC[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008006700	0	39	-1.0	-46.45	333.46	1.61	-44.84
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300008006701	0	42	-1.0	-41.97	357.63	4.32	-37.65
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300008006702	0	42	-1.0	-45.04	372.45	4.30	-40.74
CC[C@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300008006703	0	44	-1.0	-39.96	354.29	4.41	-35.55
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300008006704	0	43	-1.0	-40.91	360.92	4.34	-36.57
CC[C@H](NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008006705	0	35	-1.0	-43.28	324.53	3.37	-39.91
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(OC)=C1	REAL300008006706	0	46	-1.0	-45.80	388.23	1.17	-44.63
CC[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008006707	0	36	-1.0	-43.91	314.35	0.82	-43.09
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300008006708	0	32	-1.0	-43.78	307.11	2.99	-40.79
CC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008006709	0	32	-1.0	-39.64	281.42	3.13	-36.51
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300008006710	0	34	-1.0	-42.76	311.84	3.82	-38.94
CC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300008006711	0	34	-1.0	-38.59	304.04	4.81	-33.78
CC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300008006712	0	34	-1.0	-39.54	303.91	4.82	-34.72
CC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008006713	0	34	-1.0	-41.05	310.72	4.57	-36.48
CC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008006714	0	35	-1.0	-46.44	320.30	3.64	-42.80
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C1C	REAL300008006715	0	55	-1.0	-45.24	439.79	7.50	-37.74
CC[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300008006716	0	42	-1.0	-40.19	374.53	1.45	-38.74
CC[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008006717	0	36	-1.0	-43.21	328.35	5.20	-38.01
CC[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008006718	0	31	-1.0	-42.69	299.92	4.37	-38.32
CC[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008006719	0	31	-1.0	-43.72	291.91	4.27	-39.45
CC[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008006720	0	35	-1.0	-55.50	318.72	0.92	-54.58
CC[C@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300008006721	0	31	-1.0	-40.94	296.82	4.34	-36.60
CC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300008006722	0	31	-1.0	-41.22	286.81	4.44	-36.78
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300008006723	0	32	-1.0	-42.63	306.21	3.04	-39.59
CC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300008006724	0	36	-1.0	-41.53	312.00	3.03	-38.50
CC[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008006725	0	31	-1.0	-47.29	299.91	2.15	-45.14
CC[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008006726	0	39	-1.0	-46.48	333.73	4.32	-42.16
CC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008006727	0	31	-1.0	-48.12	283.64	2.41	-45.71
CC[C@H](NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300008006728	0	31	-1.0	-42.21	301.65	4.71	-37.50
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300008006729	0	40	-1.0	-52.55	359.96	2.29	-50.26
CC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C(=O)[O-]	REAL300008006730	0	45	-1.0	-48.79	390.83	2.75	-46.04
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300008006731	0	45	-1.0	-51.33	399.20	1.57	-49.76
CC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008006732	0	36	-1.0	-42.13	335.26	-0.14	-42.27
CC[C@H](NS(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1)C(=O)[O-]	REAL300008006733	0	42	-1.0	-48.40	389.35	0.66	-47.74
CC[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC)C(=O)[O-]	REAL300008006734	0	43	-1.0	-45.78	365.07	0.66	-45.12
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(F)=C1	REAL300008006735	0	42	-1.0	-46.70	369.42	1.03	-45.67
CC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008006736	0	39	-1.0	-51.75	331.44	3.44	-48.31
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1F	REAL300008006737	0	42	-1.0	-41.87	378.23	1.52	-40.35
CC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300008006738	0	43	-1.0	-49.03	351.25	3.86	-45.17
CC[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300008006739	0	39	-1.0	-45.82	354.45	0.69	-45.13
CC[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008006740	0	43	-1.0	-45.20	367.79	3.48	-41.72
CC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008006741	0	40	-1.0	-47.71	339.73	3.35	-44.36
CC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300008006742	0	37	-1.0	-52.72	338.11	1.51	-51.21
CC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300008006743	0	38	-1.0	-47.10	328.78	0.38	-46.72
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1Br	REAL300008006744	0	35	-1.0	-44.53	328.07	3.96	-40.57
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008006745	0	42	-1.0	-47.37	364.52	6.12	-41.25
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008006746	0	32	-1.0	-39.65	290.19	3.85	-35.80
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008006747	0	34	-1.0	-41.36	334.53	1.16	-40.20
CC[C@H](NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300008006748	0	35	-1.0	-45.23	323.66	3.61	-41.62
CC[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008006749	0	42	-1.0	-46.20	368.94	5.04	-41.16
CC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300008006750	0	35	-1.0	-41.54	307.54	4.05	-37.49
CC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300008006751	0	40	-1.0	-46.81	347.01	4.60	-42.21
CC[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300008006752	0	35	-1.0	-46.46	315.39	-2.27	-48.73
CC[C@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008006753	0	34	-1.0	-48.19	306.71	4.67	-43.52
CC[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008006754	0	31	-1.0	-42.39	309.68	5.00	-37.39
CC[C@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008006755	0	34	-1.0	-43.11	317.24	5.83	-37.28
CC[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008006756	0	31	-1.0	-43.56	309.63	4.95	-38.61
CC[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008006757	0	34	-1.0	-45.54	308.54	5.74	-39.80
CC[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008006758	0	34	-1.0	-43.11	317.32	4.86	-38.25
CC[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008006759	0	39	-1.0	-45.09	336.02	4.37	-40.72
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008006760	0	42	-1.0	-41.06	350.36	6.53	-34.53
CC[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008006761	0	41	-1.0	-48.76	362.85	4.60	-44.16
CC[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008006762	0	39	-1.0	-45.11	351.54	0.05	-45.06
CC[C@H](NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300008006763	0	37	-1.0	-45.61	320.98	5.98	-39.63
CC[C@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300008006764	0	39	-1.0	-43.23	328.65	3.68	-39.55
CC[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008006765	0	34	-1.0	-44.39	316.33	4.97	-39.42
CC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300008006766	0	35	-1.0	-42.40	313.71	3.60	-38.80
CC[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008006767	0	37	-1.0	-51.71	339.32	1.26	-50.45
CC[C@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300008006768	0	32	-1.0	-42.78	311.51	4.54	-38.24
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](CC)C(=O)[O-]	REAL300008006769	0	40	-1.0	-47.73	330.17	3.51	-44.22
CC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008006770	0	36	-1.0	-44.97	327.44	1.63	-43.34
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C12	REAL300008006771	0	35	-1.0	-45.80	317.19	0.81	-44.99
CC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008006772	0	39	-1.0	-47.52	352.86	2.89	-44.63
CC[C@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300008006773	0	34	-1.0	-42.57	321.24	5.92	-36.65
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(CC)=C1	REAL300008006774	0	46	-1.0	-42.85	356.25	7.67	-35.18
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC)C(=O)[O-]	REAL300008006775	1	43	-1.0	-50.48	375.21	0.14	-50.34
CC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008006776	0	34	-1.0	-41.71	324.91	1.16	-40.55
CC[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008006777	0	37	-1.0	-44.95	319.73	6.70	-38.25
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300008006778	0	35	-1.0	-44.41	302.67	3.23	-41.18
CC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008006779	0	37	-1.0	-47.08	313.83	4.45	-42.63
CC[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008006781	0	36	-1.0	-46.93	325.39	4.38	-42.55
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300008006782	0	35	-1.0	-41.04	325.92	3.28	-37.76
CC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008006784	0	28	-1.0	-39.03	286.62	3.24	-35.79
CC[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008006785	0	41	-1.0	-43.54	343.71	6.34	-37.20
CC[C@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008006786	0	39	-1.0	-43.77	333.42	3.72	-40.05
CC[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008006787	0	37	-1.0	-47.23	312.85	0.17	-47.06
CC[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008006788	0	31	-1.0	-44.96	290.22	3.51	-41.45
CC[C@H](NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300008006789	0	40	-1.0	-44.91	337.08	4.70	-40.21
CC[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008006790	0	39	-1.0	-57.09	324.78	0.11	-56.98
CC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C(=O)[O-]	REAL300008006791	0	43	-1.0	-50.48	377.42	6.30	-44.18
CC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300008006792	0	47	-1.0	-46.87	397.82	3.85	-43.02
CCC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008006793	0	36	-1.0	-47.32	318.86	4.91	-42.41
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008006794	0	28	-1.0	-40.93	277.60	3.69	-37.24
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300008006795	0	33	-1.0	-41.70	297.19	4.60	-37.10
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC)C(=O)[O-]	REAL300008006796	0	35	-1.0	-40.34	307.03	4.57	-35.77
CC[C@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300008006797	0	43	-1.0	-42.64	341.38	6.14	-36.50
CC[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008006798	0	31	-1.0	-41.10	295.03	4.06	-37.04
CC[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008006799	0	31	-1.0	-42.69	273.56	4.37	-38.32
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008006800	0	34	-1.0	-43.71	309.56	3.77	-39.94
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300008006801	0	44	-1.0	-47.90	382.40	0.60	-47.30
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300008006802	0	45	-1.0	-49.29	393.05	2.78	-46.51
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008006803	0	39	-1.0	-49.36	351.90	1.06	-48.30
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300008006804	0	32	-1.0	-41.95	303.95	3.00	-38.95
CC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008006805	0	34	-1.0	-38.83	334.10	5.08	-33.75
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300008006806	0	31	-1.0	-40.52	293.53	4.21	-36.31
CC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300008006807	0	42	-1.0	-45.54	364.16	6.54	-39.00
CC[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008006808	0	32	-1.0	-41.05	302.28	2.85	-38.20
CC[C@H](NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300008006809	0	43	-1.0	-46.70	329.72	6.14	-40.56
CC[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008006810	0	37	-1.0	-49.56	319.13	3.00	-46.56
CC[C@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300008006811	0	44	-1.0	-44.13	342.59	5.47	-38.66
CC[C@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300008006812	0	35	-1.0	-47.32	329.47	5.42	-41.90
CC[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008006813	0	33	-1.0	-47.38	300.50	4.26	-43.12
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300008006814	0	32	-1.0	-40.37	287.71	3.78	-36.59
CC[C@H](NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300008006815	0	46	-1.0	-43.97	357.88	6.93	-37.04
CC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008006816	0	31	-1.0	-40.39	295.03	4.06	-36.33
CC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300008006817	0	36	-1.0	-44.51	297.55	2.16	-42.35
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300008006818	0	36	-1.0	-47.13	315.04	2.27	-44.86
CC[C@H](NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300008006819	0	43	-1.0	-42.45	357.50	6.54	-35.91
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1OCC	REAL300008006820	0	42	-1.0	-47.46	358.74	4.11	-43.35
CC[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008006821	0	33	-1.0	-49.04	310.18	-1.95	-50.99
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300008006822	0	36	-1.0	-40.91	310.96	5.04	-35.87
CC[C@H](NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300008006823	0	36	-1.0	-50.78	301.43	4.80	-45.98
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006824	0	34	-1.0	-47.83	297.44	3.74	-44.09
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300008006825	0	32	-1.0	-40.74	283.14	3.68	-37.06
CC[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008006826	0	33	-1.0	-49.94	310.48	-1.98	-51.92
CC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008006827	0	40	-1.0	-49.09	364.96	0.94	-48.15
CC[C@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300008006828	0	36	-1.0	-45.90	324.23	4.44	-41.46
CC[C@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300008006829	0	36	-1.0	-47.74	312.29	4.36	-43.38
CC[C@H](NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006830	0	36	-1.0	-48.65	307.04	5.65	-43.00
CC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008006831	0	39	-1.0	-49.94	351.80	1.06	-48.88
CC[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008006832	0	40	-1.0	-54.71	341.88	2.43	-52.28
CC[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008006833	0	34	-1.0	-54.03	317.00	0.58	-53.45
CC[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008006834	0	38	-1.0	-46.30	319.57	6.86	-39.44
CC[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008006835	0	38	-1.0	-45.06	328.23	6.44	-38.62
CC[C@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008006836	0	42	-1.0	-45.48	345.25	5.10	-40.38
CC[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008006837	0	29	-1.0	-47.09	267.52	1.44	-45.65
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300008006838	0	32	-1.0	-40.42	283.14	3.68	-36.74
CC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300008006839	0	43	-1.0	-44.79	346.74	5.85	-38.94
CC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300008006840	0	38	-1.0	-44.57	325.57	3.91	-40.66
CC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006841	0	33	-1.0	-42.90	305.82	5.41	-37.49
CC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008006842	0	39	-1.0	-48.52	361.80	6.46	-42.06
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300008006843	0	34	-1.0	-39.86	296.31	3.53	-36.33
CC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008006844	0	39	-1.0	-42.30	359.45	6.39	-35.91
CC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300008006845	0	43	-1.0	-45.54	372.26	5.17	-40.37
CC[C@H](NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300008006846	0	55	-1.0	-44.35	414.89	9.02	-35.33
CC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300008006847	0	44	-1.0	-48.55	364.95	6.33	-42.22
CC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008006848	0	31	-1.0	-40.13	310.55	4.72	-35.41
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300008006849	0	38	-1.0	-47.25	324.56	4.80	-42.45
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300008006850	0	46	-1.0	-45.81	393.43	3.06	-42.75
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1)C(=O)[O-]	REAL300008006851	0	44	-1.0	-43.61	373.82	0.67	-42.94
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008006852	0	33	-1.0	-38.46	293.99	4.48	-33.98
CC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008006853	0	33	-1.0	-43.22	291.55	4.42	-38.80
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CC)C(=O)[O-]	REAL300008006854	0	36	-1.0	-40.85	312.52	5.38	-35.47
CC[C@H](NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300008006855	0	38	-1.0	-44.07	332.87	3.58	-40.49
CC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300008006856	0	38	-1.0	-45.35	329.53	3.98	-41.37
CC[C@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300008006857	0	44	-1.0	-43.71	368.20	5.39	-38.32
CC[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008006858	0	42	-1.0	-43.95	350.95	5.29	-38.66
CC[C@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300008006859	0	41	-1.0	-43.14	348.89	4.81	-38.33
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300008006860	0	38	-1.0	-43.16	328.79	4.12	-39.04
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300008006861	0	32	-1.0	-41.95	299.57	2.89	-39.06
CC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300008006862	0	32	-1.0	-43.76	309.32	3.16	-40.60
CC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300008006863	0	41	-1.0	-45.63	345.65	4.66	-40.97
CC[C@H](NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300008006864	0	39	-1.0	-45.40	341.27	2.56	-42.84
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008006865	0	31	-1.0	-39.94	290.27	4.55	-35.39
CC[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300008006866	0	36	-1.0	-48.23	305.13	6.04	-42.19
CC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300008006867	0	37	-1.0	-53.33	329.71	1.46	-51.87
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300008006868	0	40	-1.0	-48.80	365.31	0.91	-47.89
CC[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008006869	0	38	-1.0	-46.70	328.25	6.44	-40.26
CC[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008006870	0	31	-1.0	-39.40	312.09	4.75	-34.65
CC[C@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300008006871	0	34	-1.0	-46.61	335.76	3.62	-42.99
CC[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300008006872	0	48	-1.0	-43.93	390.89	6.68	-37.25
CC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300008006873	0	36	-1.0	-46.82	320.18	0.73	-46.09
CC[C@H](NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300008006874	0	38	-1.0	-44.37	311.92	3.92	-40.45
CC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008006875	0	39	-1.0	-46.78	338.27	7.15	-39.63
CC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300008006876	0	38	-1.0	-43.83	318.50	3.97	-39.86
CC[C@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300008006877	0	36	-1.0	-47.73	301.76	4.24	-43.49
CC[C@H](NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006878	0	33	-1.0	-53.66	306.11	3.97	-49.69
CC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008006879	0	35	-1.0	-41.88	324.96	3.72	-38.16
CC[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008006880	0	42	-1.0	-45.24	367.56	6.36	-38.88
CC[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008006881	0	38	-1.0	-47.28	341.93	4.66	-42.62
CC[C@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300008006882	0	50	-1.0	-41.93	388.36	5.88	-36.05
CC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008006883	0	36	-1.0	-44.57	329.85	-0.23	-44.80
CC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008006884	0	43	-1.0	-53.64	378.24	2.19	-51.45
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C2=CC=CC=C12	REAL300008006885	0	41	-1.0	-48.09	347.11	5.70	-42.39
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CC)C(=O)[O-]	REAL300008006886	0	38	-1.0	-44.50	309.73	4.38	-40.12
CC[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008006887	0	33	-1.0	-51.97	302.37	3.20	-48.77
CC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008006888	0	35	-1.0	-47.26	314.60	4.15	-43.11
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300008006889	0	42	-1.0	-44.88	362.77	3.55	-41.33
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300008006890	0	44	-1.0	-42.96	371.79	5.68	-37.28
CC[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300008006891	0	32	-1.0	-40.90	312.33	4.56	-36.34
CC[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008006892	0	36	-1.0	-53.54	318.51	4.28	-49.26
CC[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008006893	0	33	-1.0	-44.06	304.56	3.24	-40.82
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(C)=C1	REAL300008006894	0	38	-1.0	-43.30	318.90	4.11	-39.19
CC[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008006895	0	32	-1.0	-43.43	275.05	3.05	-40.38
CC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300008006896	0	46	-1.0	-52.86	393.43	3.05	-49.81
CC[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008006897	0	34	-1.0	-42.98	317.36	4.73	-38.25
CC[C@H](NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300008006898	0	39	-1.0	-40.18	320.16	4.90	-35.28
CC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008006899	0	34	-1.0	-47.63	298.48	2.72	-44.91
CC[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300008006900	0	40	-1.0	-47.52	349.97	5.04	-42.48
CC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300008006901	0	34	-1.0	-40.89	308.46	4.55	-36.34
CC[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300008006902	0	34	-1.0	-44.93	329.12	3.81	-41.12
CC[C@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008006903	0	37	-1.0	-46.57	321.13	4.67	-41.90
CC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300008006904	0	36	-1.0	-45.32	320.37	2.76	-42.56
CC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008006905	0	39	-1.0	-49.65	333.17	4.27	-45.38
CC[C@H](NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300008006906	0	36	-1.0	-41.60	316.37	3.15	-38.45
CC[C@H](NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300008006907	0	41	-1.0	-49.35	377.38	5.24	-44.11
CC[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300008006908	0	36	-1.0	-49.09	316.29	3.74	-45.35
CC[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008006909	0	31	-1.0	-45.76	304.54	4.63	-41.13
CC[C@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300008006910	0	40	-1.0	-42.51	340.51	1.95	-40.56
CC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300008006911	0	39	-1.0	-44.20	361.36	6.46	-37.74
CC[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008006912	0	34	-1.0	-47.21	320.46	3.68	-43.53
CC[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300008006913	0	34	-1.0	-44.88	339.44	4.26	-40.62
CC[C@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300008006914	0	37	-1.0	-49.12	330.44	2.09	-47.03
CC[C@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008006915	0	31	-1.0	-46.57	290.84	1.86	-44.71
CC[C@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300008006916	0	38	-1.0	-47.09	336.01	4.82	-42.27
CC[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008006917	0	36	-1.0	-43.41	327.82	4.16	-39.25
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300008006918	0	33	-1.0	-39.82	300.92	4.34	-35.48
CC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300008006919	0	39	-1.0	-54.18	344.04	3.84	-50.34
CC[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008006920	0	30	-1.0	-46.41	288.31	2.55	-43.86
CC[C@H](NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300008006921	0	37	-1.0	-46.12	321.33	5.97	-40.15
CC[C@H](NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008006922	0	34	-1.0	-40.43	313.53	5.01	-35.42
CC[C@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008006923	0	40	-1.0	-48.02	330.51	3.61	-44.41
CC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008006924	0	30	-1.0	-42.43	291.80	2.39	-40.04
CC[C@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300008006925	0	36	-1.0	-51.09	309.49	3.60	-47.49
CC[C@H](NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008006926	0	36	-1.0	-42.98	312.73	5.08	-37.90
CC[C@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006927	0	36	-1.0	-51.20	308.99	6.02	-45.18
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300008006928	0	36	-1.0	-42.66	312.98	5.10	-37.56
CC[C@H](NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008006929	0	38	-1.0	-43.95	329.63	3.83	-40.12
CC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008006930	0	37	-1.0	-44.80	329.29	4.71	-40.09
CC[C@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300008006931	0	36	-1.0	-46.91	313.03	1.64	-45.27
CC[C@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300008006932	0	34	-1.0	-42.62	293.60	2.54	-40.08
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300008006933	0	32	-1.0	-42.70	301.82	2.93	-39.77
CC[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008006934	0	36	-1.0	-50.66	302.50	4.64	-46.02
CC[C@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008006935	0	36	-1.0	-39.76	310.86	5.30	-34.46
CC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300008006936	0	38	-1.0	-47.41	318.72	4.87	-42.54
CC[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300008006937	0	34	-1.0	-48.54	299.89	4.89	-43.65
CC[C@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300008006938	0	35	-1.0	-50.52	312.30	2.82	-47.70
CC[C@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300008006939	0	30	-1.0	-47.32	271.88	2.87	-44.45
CC[C@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300008006940	0	37	-1.0	-45.39	340.28	4.50	-40.89
CC[C@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300008006941	0	35	-1.0	-47.34	319.15	0.89	-46.45
CC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300008006942	0	37	-1.0	-51.41	304.84	3.70	-47.71
CC[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300008006943	0	31	-1.0	-42.82	298.50	4.26	-38.56
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1	REAL300008006944	0	53	-1.0	-43.59	436.63	7.99	-35.60
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC)C(=O)[O-]	REAL300008006945	0	38	-1.0	-40.92	331.01	5.14	-35.78
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C1	REAL300008006946	0	41	-1.0	-43.53	344.08	4.70	-38.83
CC[C@H](NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300008006947	0	44	-1.0	-41.42	343.92	3.83	-37.59
CC[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300008006948	0	42	-1.0	-43.89	371.52	6.38	-37.51
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1C(C)C	REAL300008006949	0	47	-1.0	-44.12	385.51	6.08	-38.04
CCC1=NC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=CN1CC1CC1	REAL300008006950	0	41	-1.0	-54.42	351.68	5.33	-49.09
CC[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008006951	0	36	-1.0	-44.84	316.37	5.45	-39.39
CC[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300008006952	0	41	-1.0	-44.62	358.50	5.36	-39.26
CC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300008006953	0	31	-1.0	-42.50	297.91	1.69	-40.81
CC[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008006954	0	39	-1.0	-45.62	354.68	7.13	-38.49
CC[C@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300008006955	0	38	-1.0	-51.30	322.67	6.47	-44.83
CC[C@H](NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300008006956	0	48	-1.0	-47.15	411.64	7.97	-39.18
CCC1=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C(C)C=C1OC	REAL300008006957	0	41	-1.0	-43.96	339.39	4.54	-39.42
CC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008006958	0	34	-1.0	-39.18	325.26	4.90	-34.28
CC[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300008006959	0	37	-1.0	-47.89	306.13	6.15	-41.74
CC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300008006960	0	37	-1.0	-43.62	323.21	1.59	-42.03
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1C(C)C	REAL300008006961	0	44	-1.0	-45.43	366.27	5.31	-40.12
CC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300008006962	0	40	-1.0	-41.88	332.26	5.27	-36.61
CC[C@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008006963	0	47	-1.0	-42.46	379.34	7.55	-34.91
CC[C@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300008006964	0	38	-1.0	-45.70	311.44	3.03	-42.67
CC[C@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300008006965	0	40	-1.0	-41.25	322.95	3.26	-37.99
CC[C@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300008006966	0	38	-1.0	-47.28	323.36	3.45	-43.83
CC[C@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300008006967	0	31	-1.0	-41.11	286.49	1.91	-39.20
CC[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008006968	0	35	-1.0	-46.33	313.21	3.17	-43.16
CCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1C(C)C	REAL300008006969	0	50	-1.0	-44.62	409.26	6.89	-37.73
CC[C@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008006970	0	32	-1.0	-43.48	304.94	4.77	-38.71
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1C(C)(C)C	REAL300008006971	0	50	-1.0	-44.74	398.07	6.75	-37.99
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1CC	REAL300008006972	0	44	-1.0	-44.72	370.85	5.58	-39.14
CC[C@H](NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300008006973	0	34	-1.0	-40.45	299.36	5.14	-35.31
CC[C@H](NS(=O)(=O)C1=CC=C(OCCOC)C(Br)=C1)C(=O)[O-]	REAL300008006974	0	39	-1.0	-47.96	361.69	3.23	-44.73
CC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008006975	0	34	-1.0	-40.01	314.58	4.94	-35.07
CC[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008006976	0	32	-1.0	-45.41	302.45	4.69	-40.72
CC[C@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008006977	0	44	-1.0	-48.56	369.69	5.87	-42.69
CC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300008006978	0	43	-1.0	-45.13	382.96	6.89	-38.24
CC[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300008006979	0	38	-1.0	-43.02	320.90	3.54	-39.48
CC[C@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300008006980	0	39	-1.0	-44.98	315.16	1.41	-43.57
CC[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300008006981	0	34	-1.0	-45.84	320.89	3.97	-41.87
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1C(C)C	REAL300008006982	0	53	-1.0	-44.52	430.76	7.67	-36.85
CC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300008006983	0	44	-1.0	-43.74	351.93	4.99	-38.75
CC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300008006984	0	38	-1.0	-42.53	317.20	4.55	-37.98
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C1C(C)C	REAL300008006985	0	51	-1.0	-48.87	421.75	5.53	-43.34
CC[C@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008006986	0	36	-1.0	-44.28	324.98	2.74	-41.54
CC[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300008006987	0	34	-1.0	-48.00	306.52	3.60	-44.40
CC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300008006988	0	37	-1.0	-42.74	308.25	5.31	-37.43
CC[C@H](NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300008006989	0	36	-1.0	-49.05	312.20	2.88	-46.17
CC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300008006990	0	41	-1.0	-46.86	341.00	3.92	-42.94
CC[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300008006991	0	40	-1.0	-48.83	334.29	3.70	-45.13
CCCCN1C=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(C)=N1	REAL300008006992	0	40	-1.0	-46.76	344.67	3.77	-42.99
CC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300008006993	0	32	-1.0	-46.77	295.55	2.65	-44.12
CC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300008006994	0	34	-1.0	-41.48	309.07	4.95	-36.53
CC[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300008006995	0	34	-1.0	-40.25	321.16	4.13	-36.12
CC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300008006996	0	38	-1.0	-46.84	327.04	3.44	-43.40
CC[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300008006997	0	46	-1.0	-43.27	362.69	6.87	-36.40
CC[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300008006998	0	34	-1.0	-40.97	327.51	4.94	-36.03
CC[C@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300008006999	0	38	-1.0	-47.01	330.29	3.71	-43.30
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300008007000	0	39	-1.0	-40.36	334.74	5.75	-34.61
COC1=CC=C(F)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011699	0	38	-1.0	-48.05	310.50	3.95	-44.10
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011700	0	45	-1.0	-51.64	373.72	4.14	-47.50
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1C	REAL300008011701	0	45	-1.0	-52.26	375.45	1.01	-51.25
CC(C)(CNS(=O)(=O)N1CCC2(CCCCC2)CC1)CC(=O)[O-]	REAL300008011702	0	52	-1.0	-45.61	370.66	5.73	-39.88
CC1=NC2=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=CC=C2C=C1	REAL300008011703	0	42	-1.0	-53.03	336.81	5.73	-47.30
CC(C)(CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])CC(=O)[O-]	REAL300008011704	0	42	-1.0	-55.67	348.51	5.94	-49.73
CC(C)(CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)CC(=O)[O-]	REAL300008011705	0	45	-1.0	-49.00	360.74	2.59	-46.41
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011706	0	48	-1.0	-50.88	397.85	5.19	-45.69
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011707	0	48	-1.0	-49.20	391.09	5.26	-43.94
CCCN1C=NC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011708	0	40	-1.0	-52.24	330.90	4.80	-47.44
COCCOCCOCCS(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011709	0	48	-1.0	-51.87	392.06	1.36	-50.51
CC(COC1CCCC1)CS(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011710	0	50	-1.0	-49.18	384.40	5.42	-43.76
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011711	0	41	-1.0	-46.63	351.81	4.35	-42.28
CC(C)(CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)CC(=O)[O-]	REAL300008011712	0	42	-1.0	-48.50	341.62	1.79	-46.71
COC1=CC(Br)=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011713	0	38	-1.0	-46.56	334.38	3.97	-42.59
CC(C)(CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)CC(=O)[O-]	REAL300008011714	0	38	-1.0	-46.55	320.26	4.22	-42.33
COC1=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008011715	0	40	-1.0	-49.19	339.11	4.80	-44.39
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011716	0	40	-1.0	-45.50	337.04	5.94	-39.56
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011717	0	40	-1.0	-47.12	338.19	5.88	-41.24
CC1=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300008011718	0	40	-1.0	-45.74	338.02	5.56	-40.18
CC(C)C1=CC=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011719	0	43	-1.0	-47.10	337.55	6.16	-40.94
CC(C)(CNS(=O)(=O)CCCN1CCOCC1)CC(=O)[O-]	REAL300008011720	0	46	-1.0	-50.22	357.26	1.03	-49.19
CCOC1=CC=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011721	0	41	-1.0	-48.35	334.95	4.28	-44.07
COCCN1C=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=N1	REAL300008011722	0	41	-1.0	-49.60	343.33	1.67	-47.93
CC(C)(CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)CC(=O)[O-]	REAL300008011723	0	41	-1.0	-51.90	347.96	4.59	-47.31
CC(C)(CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)CC(=O)[O-]	REAL300008011724	0	42	-1.0	-53.53	357.06	6.23	-47.30
CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2N=C1)CC(=O)[O-]	REAL300008011725	0	39	-1.0	-49.91	324.78	4.42	-45.49
CC(C)(CNS(=O)(=O)CC1=CC=CC(Br)=C1)CC(=O)[O-]	REAL300008011726	0	37	-1.0	-50.02	328.63	5.38	-44.64
CC(C)(CNS(=O)(=O)CC1=CC=CC=C1Br)CC(=O)[O-]	REAL300008011727	0	37	-1.0	-49.29	324.12	5.33	-43.96
CC(C)(CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)CC(=O)[O-]	REAL300008011728	0	41	-1.0	-59.82	348.21	1.91	-57.91
CC1=CC(Br)=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011729	0	37	-1.0	-46.30	326.30	5.33	-40.97
CC1=C(Br)C=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011730	0	37	-1.0	-45.95	317.02	5.36	-40.59
COCC1=CC=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011731	0	41	-1.0	-46.72	329.91	4.18	-42.54
COC1=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CC=C1Br	REAL300008011732	0	38	-1.0	-46.39	333.51	4.02	-42.37
COC1=CC(OC)=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1Cl	REAL300008011733	0	42	-1.0	-48.37	349.65	3.76	-44.61
CC(C)(CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)CC(=O)[O-]	REAL300008011734	0	37	-1.0	-52.12	327.54	3.11	-49.01
CC(C)(CNS(=O)(=O)C1=CN(CC(F)F)N=C1)CC(=O)[O-]	REAL300008011735	0	37	-1.0	-50.17	322.65	2.90	-47.27
CC(C)(CNS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)CC(=O)[O-]	REAL300008011736	0	45	-1.0	-47.37	361.04	5.30	-42.07
CC(C)(CNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)CC(=O)[O-]	REAL300008011737	0	37	-1.0	-50.76	317.58	3.04	-47.72
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011738	0	45	-1.0	-52.57	336.85	2.13	-50.44
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011739	0	46	-1.0	-53.61	387.25	3.27	-50.34
CSC1=CC=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011740	0	38	-1.0	-48.83	307.92	4.23	-44.60
CC(C)(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)CC(=O)[O-]	REAL300008011741	0	42	-1.0	-51.47	362.55	0.83	-50.64
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011742	0	48	-1.0	-51.45	402.72	1.84	-49.61
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011743	0	45	-1.0	-58.75	364.40	4.02	-54.73
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1F	REAL300008011744	0	45	-1.0	-50.53	384.01	1.72	-48.81
CCC1=CC=C(CS(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011745	0	43	-1.0	-49.71	350.22	6.21	-43.50
CC(C)(CNS(=O)(=O)CCC1=CC=CS1)CC(=O)[O-]	REAL300008011746	0	37	-1.0	-48.63	319.07	4.65	-43.98
CC(C)(CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)CC(=O)[O-]	REAL300008011747	0	49	-1.0	-50.58	397.34	4.49	-46.09
CC(C)(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)CC(=O)[O-]	REAL300008011748	0	46	-1.0	-53.20	354.26	2.86	-50.34
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011749	0	43	-1.0	-54.04	365.75	2.47	-51.57
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011750	0	44	-1.0	-55.94	364.80	1.40	-54.54
CC1=CC=C(CS(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1C	REAL300008011751	0	43	-1.0	-50.16	345.75	5.97	-44.19
CCOC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1Br	REAL300008011752	0	41	-1.0	-47.27	355.35	4.95	-42.32
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300008011753	0	48	-1.0	-49.07	391.76	7.11	-41.96
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)CC(=O)[O-]	REAL300008011754	0	38	-1.0	-46.34	330.58	4.67	-41.67
COC1=CC=C(Br)C(CS(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011755	0	41	-1.0	-50.20	353.53	4.63	-45.57
CC(C)(CNS(=O)(=O)N1CCOC(C)(C)C1)CC(=O)[O-]	REAL300008011756	0	43	-1.0	-45.91	329.79	2.25	-43.66
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C2S1	REAL300008011757	0	48	-1.0	-47.95	396.58	6.00	-41.95
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011758	0	41	-1.0	-47.64	343.56	5.06	-42.58
CC(C)N1N=CC2=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CC=C21	REAL300008011759	0	46	-1.0	-49.22	374.30	5.58	-43.64
CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011760	0	41	-1.0	-56.54	347.43	-1.20	-57.74
CC1=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300008011761	0	40	-1.0	-47.57	337.35	5.32	-42.25
CC(C)(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)CC(=O)[O-]	REAL300008011762	0	37	-1.0	-46.38	339.22	5.99	-40.39
CC1=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008011763	0	40	-1.0	-46.53	347.42	6.80	-39.73
CC(C)(CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)CC(=O)[O-]	REAL300008011764	0	37	-1.0	-47.78	326.34	5.45	-42.33
CC(C)(CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)CC(=O)[O-]	REAL300008011765	0	40	-1.0	-50.26	341.30	6.92	-43.34
CC(C)(CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)CC(=O)[O-]	REAL300008011766	0	40	-1.0	-48.51	344.60	5.84	-42.67
CC(C)(CNS(=O)(=O)CCC1=CC=C2OCCC2=C1)CC(=O)[O-]	REAL300008011767	0	45	-1.0	-51.04	364.73	5.39	-45.65
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)CC(=O)[O-]	REAL300008011768	0	48	-1.0	-47.75	390.47	7.43	-40.32
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011769	0	47	-1.0	-53.31	391.00	5.62	-47.69
CC(C)(CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)CC(=O)[O-]	REAL300008011770	0	45	-1.0	-55.68	383.59	1.12	-54.56
CC1=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008011771	0	43	-1.0	-47.29	354.65	7.04	-40.25
CC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1N(C)C	REAL300008011772	0	45	-1.0	-46.68	358.48	4.72	-41.96
CC(C)(CNS(=O)(=O)CCC1=CC=CC=C1Br)CC(=O)[O-]	REAL300008011773	0	40	-1.0	-49.27	345.03	5.99	-43.28
CC(C)(CNS(=O)(=O)C1=C2OCCCN2N=C1)CC(=O)[O-]	REAL300008011774	0	39	-1.0	-50.23	316.43	0.99	-49.24
CC(C)(CNS(=O)(=O)CCOCC1CCCC1)CC(=O)[O-]	REAL300008011775	0	47	-1.0	-47.97	368.32	4.51	-43.46
COC1=CC(C)=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1Cl	REAL300008011776	0	41	-1.0	-47.92	343.87	4.84	-43.08
CC(C)(CNS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)CC(=O)[O-]	REAL300008011777	0	43	-1.0	-60.38	368.03	2.28	-58.10
CSC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1Cl	REAL300008011778	0	38	-1.0	-47.13	338.79	5.52	-41.61
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011779	0	46	-1.0	-47.85	357.41	4.53	-43.32
CC(C)(CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)CC(=O)[O-]	REAL300008011780	0	42	-1.0	-50.59	354.74	2.61	-47.98
CCC1=NOC2=NC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C12	REAL300008011781	0	41	-1.0	-50.64	344.82	1.76	-48.88
CC(C)(CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)CC(=O)[O-]	REAL300008011782	0	45	-1.0	-49.36	380.10	3.88	-45.48
CN1N=CC2=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CN=C21	REAL300008011783	0	39	-1.0	-49.67	327.93	3.18	-46.49
CCC1=CC(CC)=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C(CC)=C1	REAL300008011784	0	52	-1.0	-45.52	383.79	8.81	-36.71
CC(C)(CNS(=O)(=O)C1=CN2CCCCC2=N1)CC(=O)[O-]	REAL300008011785	0	41	-1.0	-53.39	329.36	4.08	-49.31
CC(C)(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)CC(=O)[O-]	REAL300008011786	0	40	-1.0	-47.11	352.19	2.14	-44.97
CC(C)(CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)CC(=O)[O-]	REAL300008011787	0	43	-1.0	-54.75	350.11	7.82	-46.93
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C(C)=C1F	REAL300008011788	0	41	-1.0	-47.99	332.80	4.29	-43.70
CC(C)(CNS(=O)(=O)CC1(C)CCCCC1)CC(=O)[O-]	REAL300008011789	0	46	-1.0	-47.49	333.42	5.56	-41.93
CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)CC(=O)[O-]	REAL300008011790	0	43	-1.0	-48.08	345.63	5.48	-42.60
CC(C)(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)CC(=O)[O-]	REAL300008011792	0	42	-1.0	-48.68	353.03	5.32	-43.36
COCC1=CC(Cl)=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011793	0	41	-1.0	-47.14	355.38	4.28	-42.86
CC1=CC=C(CS(=O)(=O)NCC(C)(C)CC(=O)[O-])C(F)=C1	REAL300008011794	0	40	-1.0	-50.80	334.07	5.47	-45.33
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)CC(=O)[O-]	REAL300008011796	0	34	-1.0	-45.65	316.15	4.24	-41.41
CC(C)(CNS(=O)(=O)CCC1CC2=CC=CC=C2C1)CC(=O)[O-]	REAL300008011797	0	47	-1.0	-50.34	372.33	7.34	-43.00
CC(C)(C)C1=CC(CS(=O)(=O)NCC(C)(C)CC(=O)[O-])=NO1	REAL300008011798	0	45	-1.0	-51.65	365.46	4.77	-46.88
CC(C)(CNS(=O)(=O)CC1CCCS(=O)(=O)C1)CC(=O)[O-]	REAL300008011799	0	43	-1.0	-58.02	344.72	1.23	-56.79
CC(C)(CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)CC(=O)[O-]	REAL300008011800	0	37	-1.0	-47.67	319.75	4.50	-43.17
CC1=C(CCS(=O)(=O)NCC(C)(C)CC(=O)[O-])SC=N1	REAL300008011801	0	39	-1.0	-49.99	332.36	3.28	-46.71
CC(C)(CNS(=O)(=O)CC12CCC(CC1)C2)CC(=O)[O-]	REAL300008011802	0	44	-1.0	-47.98	328.25	5.51	-42.47
COC1=CC=C2C=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])CCC2=C1	REAL300008011803	0	46	-1.0	-48.05	367.51	5.75	-42.30
CC(C)(CNS(=O)(=O)CC12CCC(CC1)CC2)CC(=O)[O-]	REAL300008011804	0	47	-1.0	-47.86	341.00	6.07	-41.79
CC(C)(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)CC(=O)[O-]	REAL300008011805	0	45	-1.0	-57.53	356.82	1.17	-56.36
CC(C)(CNS(=O)(=O)CC1CCCCC1(F)F)CC(=O)[O-]	REAL300008011806	0	43	-1.0	-47.82	336.63	5.20	-42.62
CC(C)(CNS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)CC(=O)[O-]	REAL300008011807	0	41	-1.0	-48.44	334.27	6.18	-42.26
CCC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008011808	0	42	-1.0	-50.84	346.00	5.87	-44.97
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300008011809	0	34	-1.0	-45.65	300.32	4.56	-41.09
CC(C)(CNS(=O)(=O)C1=CC=C(Br)C=C1)CC(=O)[O-]	REAL300008011810	0	34	-1.0	-45.57	304.88	4.67	-40.90
CC(C)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)CC(=O)[O-]	REAL300008011811	0	36	-1.0	-47.42	311.81	4.72	-42.70
CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)CC(=O)[O-]	REAL300008011812	0	40	-1.0	-48.26	329.54	6.33	-41.93
CC(C)(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)CC(=O)[O-]	REAL300008011813	0	36	-1.0	-49.85	311.81	4.72	-45.13
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011814	0	39	-1.0	-50.31	326.57	5.62	-44.69
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011815	0	38	-1.0	-47.37	313.07	3.35	-44.02
CC(C)(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])CC(=O)[O-]	REAL300008011816	0	36	-1.0	-53.47	300.99	5.55	-47.92
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011817	0	41	-1.0	-47.28	347.25	5.42	-41.86
CCOC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011818	0	41	-1.0	-47.05	334.93	4.27	-42.78
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1C	REAL300008011819	0	46	-1.0	-45.86	344.15	6.63	-39.23
CC1=CC(C)=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C(C)=C1	REAL300008011820	0	43	-1.0	-45.69	331.67	6.23	-39.46
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011821	0	49	-1.0	-46.85	374.55	7.28	-39.57
CC(C)(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)CC(=O)[O-]	REAL300008011822	0	37	-1.0	-47.04	322.66	5.06	-41.98
CC(C)(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)CC(=O)[O-]	REAL300008011823	0	37	-1.0	-48.82	308.55	5.62	-43.20
CC(C)(CNS(=O)(=O)C1=CC=CC(Cl)=C1)CC(=O)[O-]	REAL300008011824	0	34	-1.0	-46.45	300.33	4.56	-41.89
CC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011825	0	39	-1.0	-49.80	324.05	4.44	-45.36
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008011826	0	40	-1.0	-53.12	339.10	4.80	-48.32
CC(C)(C)C1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011827	0	46	-1.0	-46.46	359.79	6.37	-40.09
CC(C)C1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011828	0	43	-1.0	-46.49	343.81	5.98	-40.51
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011829	0	45	-1.0	-51.44	378.32	2.09	-49.35
CCCC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011830	0	43	-1.0	-46.59	347.98	6.27	-40.32
COC1=CC=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011831	0	38	-1.0	-48.93	304.16	3.88	-45.05
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1Br	REAL300008011832	0	38	-1.0	-47.54	333.49	4.02	-43.52
CC1=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CC=C1Br	REAL300008011833	0	37	-1.0	-45.57	323.09	5.24	-40.33
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C2)=C1	REAL300008011834	0	48	-1.0	-47.71	393.70	7.56	-40.15
CC(C)(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)CC(=O)[O-]	REAL300008011835	0	38	-1.0	-45.80	329.57	3.84	-41.96
CC1=C(C)C(C)=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C(C)=C1C	REAL300008011836	0	49	-1.0	-46.53	353.25	6.91	-39.62
CC(C)(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)CC(=O)[O-]	REAL300008011837	0	43	-1.0	-48.50	346.41	3.99	-44.51
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011838	0	50	-1.0	-48.44	380.22	6.18	-42.26
CC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008011839	0	39	-1.0	-49.75	327.80	5.24	-44.51
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011840	0	38	-1.0	-47.50	325.40	4.50	-43.00
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011841	0	52	-1.0	-45.41	385.90	7.86	-37.55
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)CC(=O)[O-]	REAL300008011842	0	37	-1.0	-45.99	322.33	5.04	-40.95
CC(C)(CNS(=O)(=O)C1=CC=C2CCCCC2=C1)CC(=O)[O-]	REAL300008011843	0	44	-1.0	-47.02	346.30	6.54	-40.48
COC1=CC=C(OC)C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011844	0	42	-1.0	-49.90	333.56	3.16	-46.74
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1OC	REAL300008011845	0	42	-1.0	-48.95	342.31	3.26	-45.69
CC(C)(CNS(=O)(=O)C1=CC=C2CCCC2=C1)CC(=O)[O-]	REAL300008011846	0	41	-1.0	-47.25	329.13	5.96	-41.29
CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2CC1)CC(=O)[O-]	REAL300008011847	0	42	-1.0	-47.30	338.05	6.45	-40.85
CC(C)(CNS(=O)(=O)C1=CC=C2OCCC2=C1)CC(=O)[O-]	REAL300008011848	0	39	-1.0	-47.90	319.50	3.91	-43.99
CC(C)CCC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011849	0	49	-1.0	-46.57	387.04	7.56	-39.01
CCOC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1OCC	REAL300008011850	0	48	-1.0	-48.64	386.02	5.10	-43.54
CC(C)(CNS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)CC(=O)[O-]	REAL300008011851	0	39	-1.0	-52.91	337.82	-0.99	-53.90
CC1=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300008011852	0	42	-1.0	-48.87	347.99	5.90	-42.97
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1C	REAL300008011853	0	42	-1.0	-49.56	343.52	6.16	-43.40
CC1=CC2=CC=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C2N=C1	REAL300008011854	0	42	-1.0	-52.60	337.15	5.81	-46.79
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300008011855	0	40	-1.0	-51.61	330.43	4.84	-46.77
COC1=CC(Cl)=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011856	0	38	-1.0	-46.61	320.83	4.40	-42.21
CC(C)(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)CC(=O)[O-]	REAL300008011857	0	39	-1.0	-53.75	337.77	-0.99	-54.74
CC(C)(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)CC(=O)[O-]	REAL300008011858	0	46	-1.0	-52.88	392.60	1.90	-50.98
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011859	0	42	-1.0	-48.70	351.37	5.62	-43.08
CC(C)(CNS(=O)(=O)N1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300008011860	0	43	-1.0	-46.45	336.23	5.20	-41.25
CC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C2=CC=CN=C12	REAL300008011861	0	42	-1.0	-49.14	339.85	5.35	-43.79
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1C	REAL300008011862	0	42	-1.0	-51.76	340.14	6.77	-44.99
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011863	0	45	-1.0	-52.54	379.08	2.05	-50.49
CC(C)(CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)CC(=O)[O-]	REAL300008011864	0	46	-1.0	-57.00	369.52	3.39	-53.61
CC(C)(CNS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)CC(=O)[O-]	REAL300008011865	0	40	-1.0	-55.17	344.28	1.57	-53.60
CC(C)(CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)CC(=O)[O-]	REAL300008011866	0	44	-1.0	-45.90	338.58	7.14	-38.76
CC1CC(C)CN(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C1	REAL300008011867	0	45	-1.0	-45.60	332.73	4.34	-41.26
CC(C)(CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)CC(=O)[O-]	REAL300008011868	0	40	-1.0	-49.29	324.62	6.41	-42.88
CC(C)(CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)CC(=O)[O-]	REAL300008011869	0	44	-1.0	-48.06	357.76	7.46	-40.60
CC1=CC=C(F)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011870	0	37	-1.0	-47.05	305.52	4.92	-42.13
CN(C)C1=CC=CC2=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=CC=C12	REAL300008011871	0	48	-1.0	-47.87	378.03	6.27	-41.60
CC(C)(CNS(=O)(=O)C1=CC=CC2=NSN=C21)CC(=O)[O-]	REAL300008011872	0	35	-1.0	-51.10	301.92	2.45	-48.65
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011873	0	38	-1.0	-47.59	320.83	4.40	-43.19
COC1=CC=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011874	0	38	-1.0	-48.45	313.08	3.35	-45.10
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011875	0	49	-1.0	-46.38	374.02	6.84	-39.54
CC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1Cl	REAL300008011876	0	37	-1.0	-46.84	319.05	5.16	-41.68
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011877	0	44	-1.0	-46.92	352.87	4.90	-42.02
CC(C)(CNS(=O)(=O)CC1=CC=CC(Cl)=C1)CC(=O)[O-]	REAL300008011878	0	37	-1.0	-50.07	324.07	5.28	-44.79
CC(C)(CNS(=O)(=O)C1=CC=CC2=NON=C21)CC(=O)[O-]	REAL300008011879	0	35	-1.0	-52.59	294.43	2.77	-49.82
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])CC(=O)[O-]	REAL300008011880	0	39	-1.0	-49.28	339.84	6.54	-42.74
CC(C)(CNS(=O)(=O)C1=CC=CC2=CC=CN=C21)CC(=O)[O-]	REAL300008011881	0	39	-1.0	-52.94	315.80	5.17	-47.77
CC(C)(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)CC(=O)[O-]	REAL300008011882	0	45	-1.0	-49.11	389.08	7.44	-41.67
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011883	0	40	-1.0	-47.17	332.32	4.55	-42.62
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1F	REAL300008011884	0	38	-1.0	-48.34	319.30	3.42	-44.92
CC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1F	REAL300008011885	0	37	-1.0	-47.34	310.31	4.76	-42.58
CC(C)(CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)CC(=O)[O-]	REAL300008011886	0	45	-1.0	-46.88	388.99	7.42	-39.46
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C2)C=C1	REAL300008011887	0	49	-1.0	-48.12	401.79	6.19	-41.93
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C(C(C)C)=C1	REAL300008011888	0	61	-1.0	-45.04	441.85	9.91	-35.13
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C2=CC=CC=C12	REAL300008011889	0	50	-1.0	-48.67	392.74	7.32	-41.35
CC(C)(CNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)CC(=O)[O-]	REAL300008011890	0	37	-1.0	-50.08	339.26	5.73	-44.35
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C2=CC=CC=C12	REAL300008011891	0	44	-1.0	-49.10	352.94	5.76	-43.34
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011892	0	39	-1.0	-46.66	326.52	5.62	-41.04
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011893	0	39	-1.0	-48.81	321.69	5.37	-43.44
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011894	0	42	-1.0	-49.77	343.50	6.51	-43.26
CC(C)CC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011895	0	46	-1.0	-46.54	364.79	6.74	-39.80
COCCC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011896	0	44	-1.0	-47.49	360.15	4.56	-42.93
COCCN(CCOC)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011897	0	46	-1.0	-45.72	357.41	1.28	-44.44
CC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011898	0	37	-1.0	-46.51	315.85	5.39	-41.12
COC1=C(C)C=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1C	REAL300008011899	0	44	-1.0	-47.09	357.16	4.94	-42.15
CC(C)CCOC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011900	0	50	-1.0	-46.88	395.51	6.38	-40.50
CC(C)(CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)CC(=O)[O-]	REAL300008011901	0	48	-1.0	-46.68	378.23	6.27	-40.41
CC(C)COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011902	0	47	-1.0	-47.00	376.55	5.77	-41.23
CCCOC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011903	0	44	-1.0	-47.07	356.44	5.08	-41.99
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1Cl	REAL300008011904	0	38	-1.0	-47.63	329.10	3.91	-43.72
CC(C)(CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)CC(=O)[O-]	REAL300008011905	0	38	-1.0	-48.10	338.87	4.18	-43.92
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1C	REAL300008011906	0	41	-1.0	-47.57	333.16	4.09	-43.48
CC1=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CC=C1OC(C)C	REAL300008011907	0	47	-1.0	-47.11	372.95	5.64	-41.47
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C(C)=C1	REAL300008011908	0	41	-1.0	-47.23	327.76	4.26	-42.97
COCCOC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011909	0	45	-1.0	-49.67	368.57	3.55	-46.12
CC(C)(CNS(=O)(=O)CC1=CC=CC=C1F)CC(=O)[O-]	REAL300008011910	0	37	-1.0	-50.93	312.64	4.80	-46.13
CC1=CC(Br)=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011911	0	37	-1.0	-45.29	319.59	5.57	-39.72
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1C	REAL300008011912	0	42	-1.0	-52.06	332.86	6.93	-45.13
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011913	0	43	-1.0	-55.87	359.04	2.48	-53.39
CC(C)(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)CC(=O)[O-]	REAL300008011914	0	46	-1.0	-51.62	392.61	1.89	-49.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011915	0	42	-1.0	-52.00	360.19	0.22	-51.78
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011916	0	42	-1.0	-52.52	316.56	1.28	-51.24
CC1=NC(C)=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])S1	REAL300008011917	0	36	-1.0	-46.59	308.82	2.61	-43.98
CC(C)(CNS(=O)(=O)C1=CSC2=CC=CC=C12)CC(=O)[O-]	REAL300008011918	0	37	-1.0	-46.91	309.56	4.93	-41.98
COC1=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CC=C1F	REAL300008011919	0	38	-1.0	-47.11	319.32	3.43	-43.68
CC(C)(CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300008011920	0	44	-1.0	-48.82	357.79	7.46	-41.36
CC(C)(CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)CC(=O)[O-]	REAL300008011921	0	37	-1.0	-48.98	340.81	5.77	-43.21
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])S2)=CS1	REAL300008011922	0	40	-1.0	-48.39	363.03	4.61	-43.78
CC(C)(CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)CC(=O)[O-]	REAL300008011923	0	54	-1.0	-46.65	418.15	7.67	-38.98
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011924	0	42	-1.0	-52.36	337.15	5.82	-46.54
CNC(=O)C1=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CN1C	REAL300008011925	0	42	-1.0	-51.35	347.47	1.70	-49.65
COC1=CC(C)=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C(C)=C1	REAL300008011926	0	44	-1.0	-46.46	339.14	4.84	-41.62
CC(C)(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)CC(=O)[O-]	REAL300008011927	0	45	-1.0	-48.54	367.79	8.17	-40.37
COC1=CC(C)=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1C	REAL300008011928	0	44	-1.0	-47.33	348.69	4.88	-42.45
CC1=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300008011929	0	42	-1.0	-48.13	329.52	5.23	-42.90
CC(C)(CNS(=O)(=O)C1=CC=CC2=CN=CC=C21)CC(=O)[O-]	REAL300008011930	0	39	-1.0	-50.58	319.92	4.61	-45.97
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C2	REAL300008011931	0	47	-1.0	-51.06	383.40	7.89	-43.17
CCN1C=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300008011932	0	39	-1.0	-53.94	333.60	4.94	-49.00
CC(C)(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)CC(=O)[O-]	REAL300008011933	0	41	-1.0	-48.67	354.50	4.74	-43.93
CC(C)(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)CC(=O)[O-]	REAL300008011934	0	48	-1.0	-48.22	394.84	7.33	-40.89
CCC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011935	0	42	-1.0	-53.51	346.67	5.32	-48.19
CC(C)(CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)CC(=O)[O-]	REAL300008011936	0	44	-1.0	-49.84	369.56	5.61	-44.23
CC(C)(CNS(=O)(=O)C1=CN=C2NC=CC=C12)CC(=O)[O-]	REAL300008011937	0	37	-1.0	-60.45	311.77	3.25	-57.20
CC(C)CCN(CCC(C)C)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011938	0	56	-1.0	-45.90	417.78	6.88	-39.02
CC(C)(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)CC(=O)[O-]	REAL300008011939	0	42	-1.0	-54.10	360.66	0.67	-53.43
CC(C)(CNS(=O)(=O)CC1=CC=CC(F)=C1)CC(=O)[O-]	REAL300008011940	0	37	-1.0	-50.69	313.75	4.83	-45.86
CCOC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C2=CC=CC=C12	REAL300008011941	0	47	-1.0	-48.79	374.79	6.69	-42.10
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011942	0	44	-1.0	-48.67	347.37	5.46	-43.21
CC(C)(CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)CC(=O)[O-]	REAL300008011943	0	39	-1.0	-57.24	331.86	4.23	-53.01
CC(C)(CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)CC(=O)[O-]	REAL300008011944	0	41	-1.0	-50.48	344.15	5.17	-45.31
CCOCCOC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011945	0	48	-1.0	-49.05	390.41	4.51	-44.54
CCCCCOC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011946	0	50	-1.0	-46.91	399.44	6.64	-40.27
CC(C)(CNS(=O)(=O)C1=CC=CC2=C1CCCC2)CC(=O)[O-]	REAL300008011947	0	44	-1.0	-47.08	339.27	6.74	-40.34
CC(C)(CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)CC(=O)[O-]	REAL300008011948	0	40	-1.0	-50.19	331.96	5.87	-44.32
CC(C)(CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)CC(=O)[O-]	REAL300008011949	0	38	-1.0	-46.03	339.96	5.51	-40.52
CC(C)(CNS(=O)(=O)C1=CC=C2COCC2=C1)CC(=O)[O-]	REAL300008011950	0	39	-1.0	-47.57	319.55	3.35	-44.22
CC(C)(CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)CC(=O)[O-]	REAL300008011951	0	42	-1.0	-54.65	347.22	5.31	-49.34
CC(C)(CNS(=O)(=O)C1CCS(=O)(=O)CC1)CC(=O)[O-]	REAL300008011952	0	40	-1.0	-57.49	327.56	0.50	-56.99
CC(C)(CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)CC(=O)[O-]	REAL300008011953	0	39	-1.0	-53.66	331.85	4.23	-49.43
CCOC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C(C)=C1	REAL300008011954	0	44	-1.0	-46.98	349.66	5.18	-41.80
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011955	0	42	-1.0	-53.33	360.21	0.21	-53.12
CC(C)(CNS(=O)(=O)C1=CC=CC=C1OC(F)F)CC(=O)[O-]	REAL300008011956	0	38	-1.0	-48.44	313.91	4.15	-44.29
CSC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011957	0	38	-1.0	-46.94	323.78	5.07	-41.87
CC(C)(CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)CC(=O)[O-]	REAL300008011958	0	40	-1.0	-50.98	346.40	5.79	-45.19
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011959	0	45	-1.0	-48.23	353.49	5.82	-42.41
CCN1C=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])N=C1C	REAL300008011960	0	40	-1.0	-52.60	329.12	3.84	-48.76
CC(C)(CNS(=O)(=O)C1=CC=CC2=C1OCCO2)CC(=O)[O-]	REAL300008011961	0	40	-1.0	-48.93	318.02	3.60	-45.33
CC(C)(CNS(=O)(=O)C1=CC=CC2=NC=CC=C21)CC(=O)[O-]	REAL300008011962	0	39	-1.0	-49.09	319.73	4.52	-44.57
CC(C)(CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)CC(=O)[O-]	REAL300008011963	0	46	-1.0	-49.80	377.30	6.03	-43.77
CC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300008011964	0	40	-1.0	-47.48	338.02	5.57	-41.91
CC(C)(CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)CC(=O)[O-]	REAL300008011965	0	40	-1.0	-49.03	356.41	4.79	-44.24
CC(C)(CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)CC(=O)[O-]	REAL300008011966	0	43	-1.0	-49.91	348.39	5.65	-44.26
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C12	REAL300008011967	0	42	-1.0	-49.54	349.89	3.78	-45.76
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011968	0	41	-1.0	-50.35	352.24	4.65	-45.70
COCC1=CC=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011969	0	41	-1.0	-48.37	338.65	3.77	-44.60
CC(C)(CNS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)CC(=O)[O-]	REAL300008011970	0	45	-1.0	-50.13	354.82	5.32	-44.81
CC(C)(CNS(=O)(=O)CC1=CC=CC=C1Cl)CC(=O)[O-]	REAL300008011971	0	37	-1.0	-49.58	320.92	5.21	-44.37
CC(C)(CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)CC(=O)[O-]	REAL300008011972	0	46	-1.0	-60.65	380.18	2.55	-58.10
CC(C)(CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)CC(=O)[O-]	REAL300008011973	0	41	-1.0	-49.80	353.33	4.56	-45.24
CC(C)(CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)CC(=O)[O-]	REAL300008011974	0	42	-1.0	-50.94	345.42	4.70	-46.24
CC(C)(CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)CC(=O)[O-]	REAL300008011975	0	37	-1.0	-49.04	334.25	5.66	-43.38
CC1CC2=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CC=C2O1	REAL300008011976	0	42	-1.0	-47.71	340.64	4.66	-43.05
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC(C)(C)CC(=O)[O-]	REAL300008011977	0	46	-1.0	-45.50	340.55	7.22	-38.28
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011978	0	46	-1.0	-52.44	371.52	3.05	-49.39
CC(C)(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)CC(=O)[O-]	REAL300008011979	0	45	-1.0	-48.38	389.00	7.41	-40.97
CC(C)(CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)CC(=O)[O-]	REAL300008011980	0	40	-1.0	-49.72	350.00	4.72	-45.00
CC(C)(CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)CC(=O)[O-]	REAL300008011981	0	40	-1.0	-48.75	366.73	5.24	-43.51
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C2)=CO1	REAL300008011982	0	43	-1.0	-51.39	359.98	3.12	-48.27
CN1C=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C(C(F)(F)F)=N1	REAL300008011983	0	37	-1.0	-50.62	323.08	3.01	-47.61
CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2O1)CC(=O)[O-]	REAL300008011984	0	37	-1.0	-49.75	313.34	4.43	-45.32
CC(C)(CNS(=O)(=O)C1=CC=C2OCOC2=C1)CC(=O)[O-]	REAL300008011985	0	37	-1.0	-48.31	309.63	2.71	-45.60
COC1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=N1	REAL300008011986	0	37	-1.0	-47.21	310.76	0.73	-46.48
CC(C)(CNS(=O)(=O)C1=CN=C2CCCN12)CC(=O)[O-]	REAL300008011987	0	38	-1.0	-52.50	305.66	3.26	-49.24
CC(C)(CNS(=O)(=O)C1=CC=C2OCCCC2=C1)CC(=O)[O-]	REAL300008011988	0	42	-1.0	-47.86	337.29	4.68	-43.18
CC(C)(CNS(=O)(=O)C1CC2=CC=CC=C2C1)CC(=O)[O-]	REAL300008011989	0	41	-1.0	-48.71	322.63	5.61	-43.10
CC1=CC=C(N2C=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=N2)C=C1	REAL300008011990	0	44	-1.0	-49.61	365.55	5.84	-43.77
CC1CC2=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CC(Cl)=C2O1	REAL300008011991	0	42	-1.0	-47.39	357.36	5.16	-42.23
CC1=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008011992	0	39	-1.0	-47.16	327.81	5.23	-41.93
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=N1	REAL300008011993	0	45	-1.0	-53.34	371.32	4.81	-48.53
CC(C)(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)CC(=O)[O-]	REAL300008011994	0	36	-1.0	-48.50	315.58	3.53	-44.97
CN(C)C1=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300008011995	0	42	-1.0	-48.13	335.07	4.46	-43.67
CC1=CC2=CC=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])C=C2C=C1	REAL300008011996	0	43	-1.0	-48.16	350.88	6.98	-41.18
COC1=C(S(=O)(=O)NCC(C)(C)CC(=O)[O-])SC=C1	REAL300008011997	0	35	-1.0	-51.28	301.59	2.20	-49.08
CN(C)C1=CC=CC(S(=O)(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300008011998	0	42	-1.0	-47.98	336.10	4.46	-43.52
CC(C)(CNS(=O)(=O)C1=CC=CC2=C1OCC2)CC(=O)[O-]	REAL300008011999	0	39	-1.0	-49.82	313.28	3.92	-45.90
CC(C)(CNS(=O)(=O)CC1=NOC2=CC=CC=C21)CC(=O)[O-]	REAL300008012000	0	39	-1.0	-54.61	330.69	4.11	-50.50
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020258	0	33	-1.0	-62.75	287.57	4.56	-58.19
CC1=C(Br)C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008020259	0	34	-1.0	-41.24	314.66	5.84	-35.40
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020260	0	40	-1.0	-64.11	336.11	4.83	-59.28
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300008020261	0	40	-1.0	-62.71	348.79	1.77	-60.94
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008020262	0	47	-1.0	-58.59	344.08	6.49	-52.10
CC1=NC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=CC=C2C=C1	REAL300008020263	0	37	-1.0	-73.89	314.49	6.23	-67.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008020264	0	37	-1.0	-63.44	317.80	6.12	-57.32
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008020265	0	40	-1.0	-52.64	330.24	2.62	-50.02
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020266	0	43	-1.0	-68.53	374.45	5.78	-62.75
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020267	0	43	-1.0	-65.89	361.41	5.97	-59.92
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020268	0	45	-1.0	-45.47	353.53	5.61	-39.86
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300008020269	0	44	-1.0	-64.43	365.33	5.77	-58.66
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020270	0	36	-1.0	-47.94	321.17	4.48	-43.46
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008020271	0	37	-1.0	-52.57	311.45	2.04	-50.53
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020272	0	33	-1.0	-47.85	303.39	4.07	-43.78
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008020273	0	33	-1.0	-56.95	297.42	4.82	-52.13
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008020274	0	35	-1.0	-55.51	312.97	5.42	-50.09
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020275	0	35	-1.0	-45.40	301.86	5.73	-39.67
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020276	0	35	-1.0	-58.88	304.57	5.97	-52.91
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300008020277	0	35	-1.0	-56.05	311.88	6.19	-49.86
COCCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300008020278	0	36	-1.0	-45.80	312.85	1.70	-44.10
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008020279	0	36	-1.0	-61.65	319.65	5.53	-56.12
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300008020280	0	56	-1.0	-44.83	432.78	8.50	-36.33
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300008020281	0	43	-1.0	-60.31	368.50	2.60	-57.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008020282	0	37	-1.0	-63.69	330.48	7.00	-56.69
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008020283	0	34	-1.0	-56.68	293.74	4.41	-52.27
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008020284	0	32	-1.0	-64.54	302.06	6.16	-58.38
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300008020285	0	32	-1.0	-64.00	297.48	6.11	-57.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008020286	0	36	-1.0	-74.53	317.31	2.03	-72.50
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020287	0	32	-1.0	-49.47	295.23	5.43	-44.04
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020288	0	32	-1.0	-59.24	283.71	5.48	-53.76
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300008020289	0	33	-1.0	-56.40	307.34	4.65	-51.75
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300008020290	0	37	-1.0	-62.21	326.70	4.37	-57.84
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008020291	0	32	-1.0	-43.98	297.06	3.16	-40.82
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008020292	0	32	-1.0	-44.61	291.05	2.99	-41.62
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300008020293	0	40	-1.0	-51.71	330.07	5.41	-46.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008020294	0	32	-1.0	-46.47	295.64	3.36	-43.11
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1I	REAL300008020295	0	32	-1.0	-57.72	302.78	6.32	-51.40
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020296	0	41	-1.0	-62.59	359.00	4.21	-58.38
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020297	0	46	-1.0	-61.75	394.20	4.40	-57.35
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020298	0	33	-1.0	-53.00	284.72	4.98	-48.02
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020299	0	46	-1.0	-70.31	398.23	3.50	-66.81
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300008020300	0	37	-1.0	-62.02	336.38	1.46	-60.56
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300008020301	0	43	-1.0	-55.90	388.38	1.82	-54.08
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(OC)=C1	REAL300008020302	0	44	-1.0	-59.05	376.15	1.74	-57.31
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300008020303	0	43	-1.0	-52.65	379.54	2.55	-50.10
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020304	0	40	-1.0	-86.99	342.27	4.33	-82.66
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300008020305	0	43	-1.0	-60.57	379.35	3.14	-57.43
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300008020306	0	44	-1.0	-77.85	363.61	5.76	-72.09
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300008020307	0	40	-1.0	-60.79	357.85	2.35	-58.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008020308	0	44	-1.0	-58.14	371.18	5.12	-53.02
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008020309	0	41	-1.0	-68.43	352.28	4.28	-64.15
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020310	0	38	-1.0	-70.49	339.62	3.10	-67.39
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020311	0	39	-1.0	-69.92	341.93	2.02	-67.90
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300008020312	0	36	-1.0	-60.78	329.19	5.58	-55.20
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300008020313	0	43	-1.0	-60.74	365.65	7.74	-53.00
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008020314	0	33	-1.0	-56.96	307.76	5.28	-51.68
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300008020315	0	35	-1.0	-57.93	335.80	3.12	-54.81
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020316	0	36	-1.0	-52.22	322.93	4.80	-47.42
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2S1	REAL300008020317	0	43	-1.0	-51.24	365.54	6.10	-45.14
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020318	0	36	-1.0	-62.56	320.71	5.68	-56.88
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300008020319	0	41	-1.0	-51.66	343.21	5.70	-45.96
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020320	0	36	-1.0	-65.77	320.86	-0.43	-66.20
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008020321	0	35	-1.0	-46.68	299.32	5.24	-41.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008020322	0	32	-1.0	-48.17	308.66	6.14	-42.03
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008020323	0	35	-1.0	-63.15	319.24	7.76	-55.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300008020324	0	32	-1.0	-63.14	304.55	6.31	-56.83
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008020325	0	35	-1.0	-52.08	307.11	6.74	-45.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008020326	0	35	-1.0	-61.45	316.33	6.77	-54.68
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008020327	0	40	-1.0	-49.47	334.16	5.57	-43.90
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008020328	0	43	-1.0	-66.03	366.95	8.02	-58.01
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020329	0	42	-1.0	-63.66	361.84	6.53	-57.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008020330	0	40	-1.0	-66.00	357.02	1.88	-64.12
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008020331	0	38	-1.0	-62.29	322.70	7.87	-54.42
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1N(C)C	REAL300008020332	0	40	-1.0	-59.76	332.05	5.32	-54.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008020333	0	35	-1.0	-50.45	315.55	6.21	-44.24
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008020334	0	34	-1.0	-55.92	293.00	1.18	-54.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCOCC1CCCC1	REAL300008020335	0	42	-1.0	-47.71	337.75	4.68	-43.03
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300008020336	0	36	-1.0	-51.15	310.09	4.52	-46.63
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020337	0	38	-1.0	-69.51	341.47	3.06	-66.45
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300008020338	0	33	-1.0	-60.70	312.63	6.15	-54.55
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020339	0	41	-1.0	-50.00	318.84	4.11	-45.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008020340	0	37	-1.0	-52.19	323.90	2.64	-49.55
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C12	REAL300008020341	0	36	-1.0	-52.10	314.00	1.79	-50.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008020342	0	40	-1.0	-51.53	349.20	3.90	-47.63
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CN=C21	REAL300008020343	0	34	-1.0	-52.64	296.96	3.19	-49.45
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008020344	0	35	-1.0	-59.41	324.64	7.57	-51.84
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(CC)=C1	REAL300008020345	0	47	-1.0	-43.76	342.86	8.19	-35.57
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020346	1	44	-1.0	-51.33	369.23	1.52	-49.81
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008020347	0	35	-1.0	-44.53	321.29	2.24	-42.29
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008020348	0	38	-1.0	-72.48	322.53	8.50	-63.98
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1F	REAL300008020349	0	36	-1.0	-59.17	298.05	4.72	-54.45
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008020350	0	38	-1.0	-61.57	317.66	6.31	-55.26
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008020352	0	37	-1.0	-57.00	326.85	5.98	-51.02
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020353	0	36	-1.0	-49.50	324.41	4.38	-45.12
CC1=CC=C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300008020354	0	35	-1.0	-63.57	307.48	6.25	-57.32
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008020356	0	29	-1.0	-41.99	285.63	4.38	-37.61
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008020357	0	42	-1.0	-62.79	343.72	8.35	-54.44
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=NO1	REAL300008020358	0	40	-1.0	-67.75	338.88	5.55	-62.20
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008020359	0	38	-1.0	-55.38	314.39	1.40	-53.98
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008020360	0	32	-1.0	-48.68	289.18	4.66	-44.02
CC1=C(CCS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])SC=N1	REAL300008020361	0	34	-1.0	-48.08	302.18	3.48	-44.60
COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])CCC2=C1	REAL300008020362	0	41	-1.0	-61.01	341.34	6.39	-54.62
CC(C)(CCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])S(C)(=O)=O	REAL300008020363	0	40	-1.0	-69.57	330.25	1.94	-67.63
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300008020364	0	38	-1.0	-60.27	309.18	6.04	-54.23
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C12	REAL300008020365	0	44	-1.0	-57.58	376.00	7.33	-50.25
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C12	REAL300008020366	0	48	-1.0	-52.91	394.11	4.84	-48.07
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008020367	0	37	-1.0	-56.54	319.83	6.53	-50.01
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008020368	0	29	-1.0	-55.94	276.59	5.61	-50.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008020369	0	31	-1.0	-54.12	283.53	5.66	-48.46
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008020370	0	35	-1.0	-62.17	303.30	6.98	-55.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008020371	0	31	-1.0	-41.88	280.79	4.83	-37.05
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020372	0	34	-1.0	-59.69	293.74	5.63	-54.06
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008020373	0	31	-1.0	-77.98	275.44	6.35	-71.63
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020374	0	36	-1.0	-63.05	323.95	6.04	-57.01
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300008020375	0	41	-1.0	-59.92	314.87	7.18	-52.74
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020376	0	44	-1.0	-61.60	341.61	7.27	-54.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008020377	0	32	-1.0	-57.02	296.20	5.68	-51.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008020378	0	32	-1.0	-51.41	277.66	5.44	-45.97
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008020379	0	35	-1.0	-57.55	312.96	5.42	-52.13
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020380	0	41	-1.0	-59.36	331.54	7.31	-52.05
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020381	0	46	-1.0	-60.10	392.09	4.71	-55.39
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020382	0	40	-1.0	-60.72	350.84	2.99	-57.73
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300008020383	0	33	-1.0	-61.13	307.33	4.65	-56.48
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300008020384	0	35	-1.0	-43.40	330.39	6.17	-37.23
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300008020385	0	32	-1.0	-57.03	296.93	5.86	-51.17
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)=C1	REAL300008020386	0	43	-1.0	-57.61	365.40	8.51	-49.10
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008020387	0	33	-1.0	-56.22	301.28	4.78	-51.44
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300008020388	0	44	-1.0	-60.63	328.09	7.62	-53.01
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008020389	0	38	-1.0	-59.75	320.25	4.62	-55.13
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020390	0	45	-1.0	-65.32	357.41	6.81	-58.51
CN1C=C(Br)C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300008020391	0	36	-1.0	-50.55	327.96	6.56	-43.99
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008020392	0	34	-1.0	-65.82	301.64	5.87	-59.95
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020393	0	33	-1.0	-62.29	302.47	5.11	-57.18
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020394	0	47	-1.0	-49.77	350.79	7.74	-42.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008020395	0	32	-1.0	-56.21	296.06	5.70	-50.51
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008020396	0	39	-1.0	-61.01	320.17	7.17	-53.84
COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020397	0	37	-1.0	-65.83	310.65	3.78	-62.05
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300008020398	0	37	-1.0	-61.45	316.18	3.87	-57.58
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008020399	0	37	-1.0	-60.41	309.78	7.39	-53.02
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020400	0	44	-1.0	-59.58	358.79	8.50	-51.08
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OCC	REAL300008020401	0	43	-1.0	-59.29	359.89	5.72	-53.57
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020402	0	34	-1.0	-61.92	309.52	-0.05	-61.97
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300008020403	0	37	-1.0	-66.54	310.72	6.60	-59.94
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=C2N=C1	REAL300008020404	0	37	-1.0	-72.82	314.30	6.31	-66.51
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008020405	0	35	-1.0	-77.10	306.61	5.51	-71.59
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020406	0	33	-1.0	-49.00	298.09	4.63	-44.37
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020407	0	34	-1.0	-62.95	311.62	-0.36	-63.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008020408	0	41	-1.0	-66.95	366.46	2.53	-64.42
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020409	0	37	-1.0	-61.62	324.60	6.22	-55.40
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008020410	0	38	-1.0	-48.07	307.85	5.53	-42.54
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CN=C12	REAL300008020411	0	37	-1.0	-62.25	307.94	5.45	-56.80
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300008020412	0	37	-1.0	-58.92	308.38	7.01	-51.91
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020413	0	40	-1.0	-61.79	353.04	2.68	-59.11
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008020414	0	41	-1.0	-73.40	343.37	4.03	-69.37
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020415	0	35	-1.0	-64.93	318.14	2.20	-62.73
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008020416	0	39	-1.0	-52.17	316.99	7.63	-44.54
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008020417	0	35	-1.0	-67.00	292.87	6.51	-60.49
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008020418	0	39	-1.0	-60.27	329.49	8.40	-51.87
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=CC=C12	REAL300008020419	0	43	-1.0	-53.36	343.82	6.08	-47.28
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008020420	0	30	-1.0	-50.21	280.09	2.61	-47.60
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020421	0	33	-1.0	-62.41	297.91	5.01	-57.40
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020422	0	44	-1.0	-59.41	345.74	7.78	-51.63
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300008020423	0	32	-1.0	-57.57	292.89	5.79	-51.78
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020424	0	39	-1.0	-59.21	324.55	5.84	-53.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008020425	0	34	-1.0	-72.00	316.21	7.23	-64.77
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008020426	0	34	-1.0	-72.81	292.97	5.66	-67.15
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008020427	0	40	-1.0	-58.42	360.97	8.41	-50.01
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020428	0	35	-1.0	-46.46	309.59	4.78	-41.68
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300008020429	0	33	-1.0	-61.85	293.14	4.05	-57.80
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008020430	0	40	-1.0	-56.80	360.72	8.35	-48.45
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300008020431	0	44	-1.0	-57.97	373.48	7.13	-50.84
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(C)C)=C1	REAL300008020432	0	56	-1.0	-60.48	414.68	10.64	-49.84
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008020433	0	45	-1.0	-55.27	358.51	7.13	-48.14
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008020434	0	32	-1.0	-43.65	308.67	5.91	-37.74
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008020435	0	39	-1.0	-54.79	318.71	5.58	-49.21
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300008020436	0	45	-1.0	-54.82	372.23	1.81	-53.01
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020437	0	34	-1.0	-54.03	291.59	6.04	-47.99
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020438	0	34	-1.0	-55.58	287.37	5.86	-49.72
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020439	0	37	-1.0	-52.27	311.62	6.49	-45.78
CC(C)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020440	0	41	-1.0	-59.69	336.49	7.67	-52.02
COCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020441	0	39	-1.0	-59.58	331.90	5.50	-54.08
COCCN(CCOC)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020442	0	41	-1.0	-51.83	325.50	3.09	-48.74
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020443	0	32	-1.0	-49.16	281.32	5.19	-43.97
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300008020444	0	39	-1.0	-58.42	328.88	5.87	-52.55
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020445	0	45	-1.0	-57.83	367.20	7.32	-50.51
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008020446	0	43	-1.0	-58.79	349.33	7.18	-51.61
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020447	0	42	-1.0	-58.05	348.24	6.71	-51.34
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020448	0	39	-1.0	-58.06	328.13	6.01	-52.05
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300008020449	0	33	-1.0	-61.10	302.95	4.54	-56.56
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008020450	0	33	-1.0	-59.41	312.70	4.81	-54.60
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300008020451	0	42	-1.0	-59.54	346.79	6.27	-53.27
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020452	0	40	-1.0	-60.34	340.26	4.49	-55.85
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020453	0	32	-1.0	-56.29	284.66	5.98	-50.31
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300008020454	0	37	-1.0	-45.99	296.65	6.51	-39.48
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020455	0	38	-1.0	-66.57	326.24	2.48	-64.09
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008020456	0	41	-1.0	-61.28	366.39	2.54	-58.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300008020457	0	32	-1.0	-61.83	287.77	5.80	-56.03
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300008020458	0	33	-1.0	-56.37	293.15	4.05	-52.32
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008020459	0	39	-1.0	-65.35	331.66	8.09	-57.26
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008020460	0	32	-1.0	-61.47	314.13	6.57	-54.90
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])S2)=CS1	REAL300008020461	0	35	-1.0	-52.10	332.49	4.75	-47.35
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008020462	0	49	-1.0	-57.77	389.87	8.61	-49.16
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN1C	REAL300008020463	0	37	-1.0	-50.22	317.04	1.75	-48.47
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300008020464	0	39	-1.0	-57.61	307.78	5.68	-51.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008020465	0	40	-1.0	-53.78	336.73	8.28	-45.50
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300008020466	0	39	-1.0	-60.44	315.06	4.99	-55.45
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008020467	0	37	-1.0	-60.75	302.12	6.20	-54.55
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008020468	0	34	-1.0	-67.11	287.93	4.74	-62.37
CCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008020469	0	34	-1.0	-76.33	309.95	5.27	-71.06
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008020470	0	36	-1.0	-58.99	326.21	5.68	-53.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008020471	0	43	-1.0	-59.24	366.55	8.27	-50.97
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020472	0	37	-1.0	-64.77	315.66	5.43	-59.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008020473	0	39	-1.0	-47.02	339.07	5.66	-41.36
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020474	0	51	-1.0	-46.52	387.64	7.14	-39.38
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020475	0	37	-1.0	-66.01	328.85	1.70	-64.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300008020476	0	44	-1.0	-50.03	374.55	3.28	-46.75
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008020477	0	42	-1.0	-54.72	340.56	6.50	-48.22
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020478	0	39	-1.0	-66.45	323.96	6.06	-60.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008020479	0	34	-1.0	-76.51	305.77	4.84	-71.67
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008020480	0	36	-1.0	-50.51	313.66	5.21	-45.30
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020481	0	43	-1.0	-60.30	362.11	5.45	-54.85
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020482	0	45	-1.0	-57.88	371.13	7.58	-50.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008020483	0	39	-1.0	-66.02	314.88	7.30	-58.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008020484	0	33	-1.0	-57.12	311.67	6.45	-50.67
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008020485	0	37	-1.0	-72.52	320.66	6.08	-66.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008020486	0	34	-1.0	-59.89	303.58	5.17	-54.72
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300008020487	0	39	-1.0	-49.40	315.97	4.90	-44.50
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008020488	0	33	-1.0	-52.68	291.14	4.37	-48.31
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020489	0	33	-1.0	-58.15	295.49	6.01	-52.14
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008020490	0	35	-1.0	-45.97	315.48	5.93	-40.04
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020491	0	40	-1.0	-62.52	330.05	6.67	-55.85
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008020492	0	35	-1.0	-64.88	295.57	4.27	-60.61
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008020493	0	34	-1.0	-61.99	287.81	4.62	-57.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008020494	0	41	-1.0	-63.04	351.09	6.67	-56.37
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300008020495	0	35	-1.0	-56.95	311.88	6.20	-50.75
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008020496	0	35	-1.0	-63.78	328.13	5.77	-58.01
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008020497	0	38	-1.0	-59.14	322.28	6.26	-52.88
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C12	REAL300008020498	0	37	-1.0	-47.72	319.00	3.89	-43.83
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=C2O1	REAL300008020499	0	40	-1.0	-53.07	329.46	5.40	-47.67
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300008020500	0	32	-1.0	-64.88	294.25	5.99	-58.89
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300008020501	0	37	-1.0	-62.22	331.08	4.48	-57.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300008020502	0	42	-1.0	-56.77	373.66	6.33	-50.44
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008020503	0	37	-1.0	-57.17	314.34	4.96	-52.21
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008020504	0	32	-1.0	-62.74	307.78	6.43	-56.31
CC1CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300008020505	0	37	-1.0	-51.52	309.44	4.76	-46.76
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020506	0	41	-1.0	-41.90	297.67	6.84	-35.06
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020507	0	41	-1.0	-66.72	335.52	3.48	-63.24
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008020508	0	40	-1.0	-59.09	362.42	8.43	-50.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008020509	0	35	-1.0	-59.11	321.72	5.70	-53.41
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008020510	0	35	-1.0	-63.55	338.45	6.22	-57.33
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)=CO1	REAL300008020511	0	38	-1.0	-65.75	333.81	3.76	-61.99
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300008020512	0	32	-1.0	-69.38	300.73	3.31	-66.07
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008020513	0	37	-1.0	-61.09	311.05	5.33	-55.76
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=N2)C=C1	REAL300008020514	0	39	-1.0	-50.32	335.07	5.89	-44.43
CC1CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300008020515	0	37	-1.0	-56.78	331.17	5.80	-50.98
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008020516	0	34	-1.0	-55.20	304.33	5.98	-49.22
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300008020517	0	40	-1.0	-54.13	340.85	4.85	-49.28
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008020518	0	31	-1.0	-52.96	284.65	3.55	-49.41
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2C=C1	REAL300008020519	0	38	-1.0	-61.95	324.74	7.62	-54.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008020520	0	34	-1.0	-70.61	304.12	4.88	-65.73
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008020521	0	35	-1.0	-61.19	319.00	6.85	-54.34
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300008020522	0	41	-1.0	-61.28	331.53	5.23	-56.05
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008020523	0	31	-1.0	-48.20	288.18	3.38	-44.82
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020524	0	37	-1.0	-69.11	309.30	5.32	-63.79
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020525	0	37	-1.0	-59.32	309.52	6.12	-53.20
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300008020526	0	37	-1.0	-46.63	303.51	6.97	-39.66
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008020527	0	37	-1.0	-53.78	311.55	5.98	-47.80
COC1=CC=C(CCS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020528	0	39	-1.0	-62.73	331.77	5.63	-57.10
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300008020529	0	38	-1.0	-60.13	328.31	6.65	-53.48
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(OC)=C1	REAL300008020530	0	37	-1.0	-61.77	314.30	3.60	-58.17
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-])OCO2	REAL300008020531	0	35	-1.0	-57.91	289.37	4.03	-53.88
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300008020532	0	33	-1.0	-56.41	302.95	4.54	-51.87
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008020533	0	37	-1.0	-73.48	304.71	6.58	-66.90
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1CC	REAL300008020534	0	41	-1.0	-61.78	334.48	7.25	-54.53
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020535	0	37	-1.0	-44.34	302.99	6.13	-38.21
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020536	0	39	-1.0	-62.57	312.87	6.56	-56.01
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020537	0	30	-1.0	-47.78	272.77	2.12	-45.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008020538	0	35	-1.0	-52.47	292.32	5.78	-46.69
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(C)=C1F	REAL300008020539	0	35	-1.0	-55.99	302.34	6.33	-49.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008020540	0	36	-1.0	-62.19	313.35	4.45	-57.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008020541	0	31	-1.0	-54.07	286.02	3.77	-50.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008020542	0	32	-1.0	-62.34	297.47	6.08	-56.26
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300008020543	0	32	-1.0	-57.01	292.90	5.78	-51.23
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008020544	0	35	-1.0	-64.79	300.79	5.14	-59.65
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)=N1	REAL300008020545	0	38	-1.0	-60.02	341.54	6.46	-53.56
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008020546	0	37	-1.0	-67.61	304.34	5.84	-61.77
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008020547	0	36	-1.0	-66.04	322.53	2.55	-63.49
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008020548	0	38	-1.0	-60.93	315.20	5.18	-55.75
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008020549	0	32	-1.0	-48.38	296.62	5.45	-42.93
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020550	0	54	-1.0	-57.85	435.63	9.92	-47.93
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020551	0	39	-1.0	-63.53	345.37	6.81	-56.72
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020552	0	42	-1.0	-49.06	342.65	5.81	-43.25
COC(CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C1CCCC1	REAL300008020553	0	42	-1.0	-50.98	326.94	4.31	-46.67
COC(CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])C1CCCCC1	REAL300008020554	0	45	-1.0	-51.12	344.70	5.25	-45.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008020555	0	43	-1.0	-62.64	374.90	8.03	-54.61
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300008020556	0	48	-1.0	-60.61	388.89	7.73	-52.88
CCC1=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN1CC1CC1	REAL300008020557	0	42	-1.0	-52.65	348.04	5.83	-46.82
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008020558	0	32	-1.0	-57.10	295.06	4.51	-52.59
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008020559	0	37	-1.0	-60.52	314.16	6.49	-54.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008020560	0	42	-1.0	-56.94	356.97	7.16	-49.78
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020561	0	32	-1.0	-52.33	294.68	3.56	-48.77
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008020562	0	40	-1.0	-59.65	358.04	8.78	-50.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008020563	0	39	-1.0	-57.21	315.46	7.34	-49.87
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300008020564	0	49	-1.0	-51.72	405.66	8.95	-42.77
CCC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(C)C=C1OC	REAL300008020565	0	42	-1.0	-62.95	335.73	6.13	-56.82
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008020566	0	35	-1.0	-55.15	326.54	6.87	-48.28
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300008020567	0	31	-1.0	-54.13	278.00	3.37	-50.76
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008020568	0	38	-1.0	-65.59	307.14	8.09	-57.50
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300008020569	0	38	-1.0	-46.54	321.85	2.71	-43.83
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020570	0	33	-1.0	-57.55	287.72	4.93	-52.62
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300008020571	0	45	-1.0	-61.03	367.39	6.93	-54.10
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300008020572	0	41	-1.0	-56.64	335.65	6.94	-49.70
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008020573	0	48	-1.0	-62.50	380.63	9.57	-52.93
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020574	0	39	-1.0	-57.05	315.43	4.69	-52.36
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300008020575	0	41	-1.0	-51.55	324.07	4.46	-47.09
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008020576	0	39	-1.0	-52.78	320.91	4.40	-48.38
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020577	0	32	-1.0	-40.79	276.79	2.95	-37.84
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020578	0	36	-1.0	-65.07	315.35	4.97	-60.10
C=CCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020579	0	39	-1.0	-59.51	332.54	7.77	-51.74
CCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300008020580	0	51	-1.0	-58.79	410.40	8.51	-50.28
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008020581	0	33	-1.0	-47.51	304.50	6.02	-41.49
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300008020582	0	51	-1.0	-59.24	401.47	8.39	-50.85
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1CC	REAL300008020583	0	45	-1.0	-60.26	371.99	7.19	-53.07
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020584	0	35	-1.0	-45.75	291.53	5.97	-39.78
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020585	0	35	-1.0	-62.21	316.43	6.83	-55.38
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008020586	0	33	-1.0	-50.05	298.49	5.81	-44.24
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020587	0	45	-1.0	-46.57	360.14	6.65	-39.92
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008020588	0	34	-1.0	-70.17	287.87	4.68	-65.49
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300008020589	0	44	-1.0	-57.32	384.17	8.85	-48.47
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008020590	0	39	-1.0	-58.76	321.68	5.24	-53.52
CC1(C)COC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=NN2C1	REAL300008020591	0	40	-1.0	-55.42	331.09	2.29	-53.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008020592	0	35	-1.0	-59.47	324.28	5.59	-53.88
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300008020593	0	54	-1.0	-58.79	431.90	9.29	-49.50
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300008020594	0	45	-1.0	-62.00	353.25	6.12	-55.88
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020595	0	39	-1.0	-64.35	324.34	5.98	-58.37
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300008020596	0	52	-1.0	-62.74	422.87	7.15	-55.59
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=C2O1	REAL300008020597	0	37	-1.0	-54.43	312.36	4.88	-49.55
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300008020598	0	37	-1.0	-50.99	321.80	3.77	-47.22
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008020599	0	35	-1.0	-63.74	309.71	5.18	-58.56
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020600	0	34	-1.0	-59.58	286.19	3.50	-56.08
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008020601	0	32	-1.0	-49.30	288.02	5.50	-43.80
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1F	REAL300008020602	0	38	-1.0	-57.87	304.10	6.96	-50.91
COC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1OC	REAL300008020603	0	37	-1.0	-60.22	308.08	4.89	-55.33
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300008020604	0	42	-1.0	-63.06	337.30	5.21	-57.85
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020605	0	41	-1.0	-52.14	322.28	4.42	-47.72
CCCCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=N1	REAL300008020606	0	41	-1.0	-49.57	340.52	4.89	-44.68
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008020607	0	33	-1.0	-61.17	294.54	4.57	-56.60
CN1N=NC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=CC=C21	REAL300008020608	0	34	-1.0	-55.29	300.04	2.69	-52.60
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300008020609	0	35	-1.0	-59.09	304.89	6.13	-52.96
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008020610	0	35	-1.0	-56.30	324.68	6.01	-50.29
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300008020611	0	39	-1.0	-62.67	320.45	4.74	-57.93
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020612	0	47	-1.0	-63.01	363.88	8.00	-55.01
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008020613	0	35	-1.0	-56.75	328.64	6.55	-50.20
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008020614	0	39	-1.0	-55.27	327.05	4.74	-50.53
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008020615	0	33	-1.0	-63.09	291.83	5.80	-57.29
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008020616	0	40	-1.0	-65.02	350.27	7.46	-57.56
COC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008020617	0	38	-1.0	-79.80	322.85	5.90	-73.90
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020618	0	38	-1.0	-56.44	299.54	4.14	-52.30
CC(C)(C)N1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300008020619	0	38	-1.0	-54.27	317.57	3.79	-50.48
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300008020620	0	34	-1.0	-56.25	308.38	4.49	-51.76
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008020621	0	32	-1.0	-43.95	297.99	5.24	-38.71
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020622	0	40	-1.0	-64.57	337.13	6.19	-58.38
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008020623	0	40	-1.0	-62.26	324.02	8.07	-54.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008020624	0	35	-1.0	-58.34	318.68	5.93	-52.41
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020625	0	39	-1.0	-56.46	351.53	5.76	-50.70
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008020626	0	29	-1.0	-47.99	271.69	4.31	-43.68
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008020627	0	39	-1.0	-58.30	323.09	5.21	-53.09
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020628	0	38	-1.0	-50.55	313.82	3.98	-46.57
CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020629	0	43	-1.0	-60.23	325.09	5.91	-54.32
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300008020630	0	43	-1.0	-62.57	347.27	3.46	-59.11
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020631	0	35	-1.0	-60.09	310.65	6.21	-53.88
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008020632	0	33	-1.0	-52.93	291.81	3.74	-49.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008020633	0	44	-1.0	-59.42	352.50	7.48	-51.94
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300008020634	0	40	-1.0	-74.57	323.71	6.79	-67.78
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008020635	0	37	-1.0	-45.56	308.44	4.37	-41.19
CCOCC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020636	0	39	-1.0	-52.61	329.49	4.85	-47.76
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008020637	0	32	-1.0	-52.48	312.30	6.20	-46.28
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020638	0	39	-1.0	-48.51	324.58	5.48	-43.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008020639	0	42	-1.0	-52.87	339.45	5.02	-47.85
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008020640	0	40	-1.0	-58.14	343.99	7.84	-50.30
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC(C)=C1Br	REAL300008020641	0	35	-1.0	-56.56	313.01	6.73	-49.83
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008020642	0	38	-1.0	-55.86	308.10	6.76	-49.10
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008020643	0	39	-1.0	-60.50	328.51	5.79	-54.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008020644	0	33	-1.0	-47.46	309.07	6.12	-41.34
O=C([O-])[C@H]1CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008020645	0	33	-1.0	-45.84	309.09	6.12	-39.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300008020646	0	34	-1.0	-69.35	299.26	-1.07	-70.42
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008020647	0	31	-1.0	-48.90	283.48	3.55	-45.35
CC1=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008020648	0	38	-1.0	-48.72	319.30	3.07	-45.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008020649	0	46	-1.0	-49.40	330.00	7.10	-42.30
CS(=O)(=O)CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020650	0	37	-1.0	-58.36	323.50	1.05	-57.31
CC1(C)CCC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])OC1	REAL300008020651	0	42	-1.0	-46.99	327.73	4.36	-42.63
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008020652	0	33	-1.0	-65.35	304.98	3.87	-61.48
O=C([O-])[C@H]1CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008020653	0	39	-1.0	-64.30	338.94	7.69	-56.61
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008020654	0	38	-1.0	-67.64	309.16	2.45	-65.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008020655	0	42	-1.0	-62.71	324.53	6.82	-55.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008020656	0	33	-1.0	-48.88	296.89	5.50	-43.38
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300008020657	0	51	-1.0	-61.02	387.20	8.87	-52.15
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020658	0	40	-1.0	-60.26	331.78	6.07	-54.19
COC1=CSC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1OC	REAL300008020659	0	34	-1.0	-65.41	311.08	2.89	-62.52
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008020660	0	41	-1.0	-59.34	316.61	5.32	-54.02
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020661	0	40	-1.0	-45.71	326.24	6.00	-39.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008020662	0	33	-1.0	-57.67	301.81	5.50	-52.17
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300008020663	0	33	-1.0	-62.63	295.43	4.24	-58.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008020664	0	33	-1.0	-58.39	302.93	4.32	-54.07
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020665	0	35	-1.0	-59.28	299.39	4.55	-54.73
CN1C=CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300008020666	0	36	-1.0	-58.08	306.19	5.93	-52.15
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008020667	0	38	-1.0	-47.99	331.48	4.65	-43.34
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020668	0	42	-1.0	-55.22	337.75	6.27	-48.95
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008020669	0	40	-1.0	-60.06	346.13	7.52	-52.54
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020670	0	35	-1.0	-74.87	298.24	6.42	-68.45
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008020671	0	30	-1.0	-47.48	296.81	3.10	-44.38
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020672	0	40	-1.0	-57.13	336.23	5.78	-51.35
CCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C2CC2)=N1	REAL300008020673	0	39	-1.0	-62.76	328.10	5.22	-57.54
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300008020674	0	33	-1.0	-47.06	285.18	3.34	-43.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008020675	0	35	-1.0	-59.66	320.08	7.47	-52.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008020676	0	39	-1.0	-50.62	343.52	8.09	-42.53
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008020677	0	28	-1.0	-54.46	282.63	2.99	-51.47
CCC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300008020678	0	35	-1.0	-57.31	316.48	6.55	-50.76
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020679	0	42	-1.0	-55.12	342.02	6.15	-48.97
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020680	0	43	-1.0	-65.72	357.80	5.00	-60.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008020681	0	35	-1.0	-51.50	307.92	6.79	-44.71
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020682	0	37	-1.0	-47.93	298.57	1.97	-45.96
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300008020683	0	35	-1.0	-50.63	317.44	3.98	-46.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008020684	0	44	-1.0	-58.74	357.18	5.37	-53.37
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020685	0	32	-1.0	-58.91	295.79	2.36	-56.55
COC1=NC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300008020686	0	35	-1.0	-56.43	304.77	2.10	-54.33
CC(C)CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300008020687	0	38	-1.0	-45.66	316.07	4.24	-41.42
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020688	0	38	-1.0	-51.20	314.83	3.64	-47.56
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008020689	0	39	-1.0	-59.92	319.59	2.85	-57.07
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008020690	0	34	-1.0	-60.53	313.12	6.55	-53.98
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])N=C1	REAL300008020691	0	40	-1.0	-52.18	327.13	4.90	-47.28
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008020692	0	36	-1.0	-57.72	313.34	5.80	-51.92
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008020693	0	31	-1.0	-51.93	282.90	3.42	-48.51
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=NN1C(C)C	REAL300008020694	0	38	-1.0	-55.69	315.36	3.92	-51.77
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008020695	0	43	-1.0	-59.27	364.06	8.53	-50.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008020696	0	34	-1.0	-67.32	294.77	5.09	-62.23
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300008020697	0	32	-1.0	-43.03	278.85	3.92	-39.11
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020698	0	37	-1.0	-64.98	315.62	0.50	-64.48
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(F)F)=C1	REAL300008020699	0	36	-1.0	-65.14	311.11	5.05	-60.09
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020700	0	35	-1.0	-48.12	318.32	2.46	-45.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008020701	0	34	-1.0	-60.34	286.26	5.04	-55.30
CCOC1=CC=CN=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300008020702	0	35	-1.0	-51.18	291.90	3.68	-47.50
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300008020703	0	37	-1.0	-72.46	310.71	6.20	-66.26
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008020704	0	31	-1.0	-68.40	287.56	3.75	-64.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008020705	0	36	-1.0	-63.34	323.90	5.84	-57.50
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300008020706	0	42	-1.0	-67.53	339.39	6.58	-60.95
CC(C)OC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCOC1	REAL300008020707	0	43	-1.0	-48.62	355.75	2.68	-45.94
CC(C)OC1(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCOC1	REAL300008020708	0	43	-1.0	-53.66	347.97	3.20	-50.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(OC(C)C)CCOC1	REAL300008020709	0	46	-1.0	-54.99	360.05	4.23	-50.76
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(OC(C)C)CCOC1	REAL300008020710	0	47	-1.0	-57.03	375.00	2.62	-54.41
CC1=CC=C(S(=O)(=O)NCC2(OC(C)C)CCOC2)C=C1C(=O)[O-]	REAL300008020711	0	46	-1.0	-50.23	369.56	3.39	-46.84
CC(C)OC1(CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)CCOC1	REAL300008020712	0	40	-1.0	-47.39	328.61	3.01	-44.38
CC(C)OC1(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCOC1	REAL300008020713	0	43	-1.0	-53.66	347.97	3.20	-50.46
CC(C)OC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCOC1	REAL300008020714	0	43	-1.0	-48.62	355.75	2.68	-45.94
CC(C)OC1(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])CCOC1	REAL300008020715	0	43	-1.0	-50.54	334.00	4.24	-46.30
CC(C)OC1(CNS(=O)(=O)C2=CNC(C(=O)[O-])=C2)CCOC1	REAL300008020716	0	41	-1.0	-51.66	336.49	0.93	-50.73
CC(C)OC1(CNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)CCOC1	REAL300008020717	0	43	-1.0	-51.85	359.18	0.95	-50.90
CC(C)OC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)CCOC1	REAL300008020718	0	40	-1.0	-47.21	346.85	1.95	-45.26
CC(C)OC1(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])CCOC1	REAL300008020719	0	40	-1.0	-53.74	330.15	-0.19	-53.93
CC(C)OC1(CNS(=O)(=O)N2CCCC(C(=O)[O-])C2)CCOC1	REAL300008020720	0	48	-1.0	-50.27	369.86	1.86	-48.41
CC(C)OC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCOC1	REAL300008020721	0	48	-1.0	-46.89	370.73	1.86	-45.03
CC(C)OC1(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])CCOC1	REAL300008020722	0	43	-1.0	-50.54	334.00	4.24	-46.30
CC(C)OC1(CNS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])CCOC1	REAL300008020723	0	43	-1.0	-44.35	351.32	4.73	-39.62
CC(C)OC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)CCOC1	REAL300008020724	0	40	-1.0	-48.71	332.73	1.58	-47.13
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(OC(C)C)CCOC2)O1	REAL300008020725	0	43	-1.0	-49.74	350.96	2.05	-47.69
CC(C)OC1(CNS(=O)(=O)CCCC(=O)[O-])CCOC1	REAL300008020726	0	42	-1.0	-52.23	333.65	1.83	-50.40
CC(C)OC1(CNS(=O)(=O)N2CCCC2C(=O)[O-])CCOC1	REAL300008020727	0	45	-1.0	-48.10	352.28	1.60	-46.50
CC(C)OC1(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCOC1	REAL300008020728	0	46	-1.0	-58.62	376.62	3.59	-55.03
CC(C)OC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCOC1	REAL300008020729	0	48	-1.0	-46.89	370.73	1.86	-45.03
CC(C)OC1(CNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)CCOC1	REAL300008020730	0	46	-1.0	-58.76	376.72	3.57	-55.19
CC(C)OC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)CCOC1	REAL300008020731	0	40	-1.0	-48.71	332.73	1.58	-47.13
CC(C)OC1(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCOC1	REAL300008020732	0	47	-1.0	-48.76	389.72	2.98	-45.78
CC(C)OC1(CNS(=O)(=O)CCCC(=O)[O-])CCOC1	REAL300008020733	0	42	-1.0	-52.23	333.65	1.83	-50.40
CC(C)OC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)CCOC1	REAL300008020734	0	40	-1.0	-50.08	341.15	2.24	-47.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(OC(C)C)CCOC2)=C1C	REAL300008020735	0	49	-1.0	-55.51	385.68	4.20	-51.31
CC1=CC=CC(S(=O)(=O)NCC2(OC(C)C)CCOC2)=C1C(=O)[O-]	REAL300008020736	0	46	-1.0	-55.00	359.77	4.33	-50.67
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(OC(C)C)CCOC2)=C1	REAL300008020737	0	50	-1.0	-54.75	409.66	2.52	-52.23
CC(C)OC1(CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)CCOC1	REAL300008020738	0	40	-1.0	-52.94	346.24	1.84	-51.10
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1(OC(C)C)CCOC1	REAL300008020739	0	46	-1.0	-50.60	364.74	3.48	-47.12
CC(C)OC1(CNS(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)CCOC1	REAL300008020740	0	46	-1.0	-53.58	367.92	5.34	-48.24
CC(C)OC1(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CCOC1	REAL300008020741	0	46	-1.0	-49.31	380.82	3.48	-45.83
CC(C)OC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)CCOC1	REAL300008020742	0	40	-1.0	-49.48	339.23	0.88	-48.60
CC(C)OC1(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCOC1	REAL300008020743	0	46	-1.0	-52.38	370.14	3.98	-48.40
CC1=C(S(=O)(=O)NCC2(OC(C)C)CCOC2)C=C(C(=O)[O-])O1	REAL300008020744	0	43	-1.0	-52.46	349.35	2.43	-50.03
CC(C)OC1(CNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)CCOC1	REAL300008020745	0	42	-1.0	-47.46	339.98	1.51	-45.95
CC(C)OC1(CNS(=O)(=O)C2=CSN=C2C(=O)[O-])CCOC1	REAL300008020746	0	39	-1.0	-53.15	330.66	1.11	-52.04
CC(C)OC1(CNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)CCOC1	REAL300008020747	0	39	-1.0	-57.14	336.77	0.37	-56.77
CC(C)OC1(CNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])CCOC1	REAL300008020748	0	42	-1.0	-55.92	340.94	1.70	-54.22
CC(C)OC1(CNS(=O)(=O)CCCCCC(=O)[O-])CCOC1	REAL300008020749	0	48	-1.0	-53.62	376.65	3.40	-50.22
CC(C)OC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)CCOC1	REAL300008020750	0	42	-1.0	-50.82	343.85	1.42	-49.40
CC(C)OC1(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CCOC1	REAL300008020751	0	43	-1.0	-49.07	371.33	3.32	-45.75
COC1=CC=C(S(=O)(=O)NCC2(OC(C)C)CCOC2)C=C1C(=O)[O-]	REAL300008020752	0	47	-1.0	-59.34	375.26	3.27	-56.07
CC1=CC(S(=O)(=O)NCC2(OC(C)C)CCOC2)=CC=C1C(=O)[O-]	REAL300008020753	0	46	-1.0	-48.55	364.61	3.74	-44.81
CC(C)OC1(CNS(=O)(=O)N(C)CCC(=O)[O-])CCOC1	REAL300008020754	0	44	-1.0	-50.48	353.36	1.01	-49.47
CC(C)OC1(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)CCOC1	REAL300008020755	0	48	-1.0	-52.83	377.29	3.74	-49.09
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(OC(C)C)CCOC2)=C1	REAL300008020756	0	50	-1.0	-54.75	409.66	2.52	-52.23
CC(C)OC1(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CCOC1	REAL300008020757	0	43	-1.0	-49.07	371.33	3.32	-45.75
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1(OC(C)C)CCOC1	REAL300008020758	0	43	-1.0	-48.32	342.53	3.96	-44.36
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(OC(C)C)CCOC1	REAL300008020759	0	46	-1.0	-48.86	380.91	4.20	-44.66
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3(OC(C)C)CCOC3)C=C21	REAL300008020760	0	49	-1.0	-51.59	394.91	4.55	-47.04
CC(C)OC1(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCOC1	REAL300008020761	0	46	-1.0	-58.62	376.62	3.59	-55.03
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(OC(C)C)CCOC1	REAL300008020762	0	47	-1.0	-57.03	375.00	2.62	-54.41
CC1=CC=C(S(=O)(=O)NCC2(OC(C)C)CCOC2)C=C1C(=O)[O-]	REAL300008020763	0	46	-1.0	-50.23	369.56	3.39	-46.84
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(OC(C)C)CCOC1	REAL300008020764	0	46	-1.0	-54.99	360.05	4.23	-50.76
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(OC(C)C)CCOC1	REAL300008020765	0	47	-1.0	-45.72	380.10	3.34	-42.38
CC(C)OC1(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)CCOC1	REAL300008020766	0	46	-1.0	-49.23	354.50	3.25	-45.98
CC(C)OC1(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCOC1	REAL300008020767	0	46	-1.0	-52.38	370.14	3.98	-48.40
COC1=C(S(=O)(=O)NCC2(OC(C)C)CCOC2)SC(C(=O)[O-])=C1	REAL300008020768	0	44	-1.0	-47.24	366.53	1.50	-45.74
CC(C)OC1(CNS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)CCOC1	REAL300008020769	0	48	-1.0	-49.56	384.78	3.88	-45.68
CC(C)OC1(CNS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)CCOC1	REAL300008020770	0	50	-1.0	-54.16	401.90	4.56	-49.60
CCC1=C(S(=O)(=O)NCC2(OC(C)C)CCOC2)C=C(C(=O)[O-])O1	REAL300008020771	0	46	-1.0	-51.74	376.83	2.79	-48.95
CC(C)OC1(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CCOC1	REAL300008020772	0	45	-1.0	-47.04	369.98	4.41	-42.63
CC(C)OC1(CNS(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)CCOC1	REAL300008020773	0	46	-1.0	-52.15	385.83	4.71	-47.44
CC(C)OC1(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])CCOC1	REAL300008020774	0	45	-1.0	-39.51	362.17	4.91	-34.60
CC1=NC=C(S(=O)(=O)NCC2(OC(C)C)CCOC2)C=C1C(=O)[O-]	REAL300008020775	0	45	-1.0	-45.02	364.69	1.54	-43.48
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1(OC(C)C)CCOC1	REAL300008020776	0	47	-1.0	-49.12	375.02	2.62	-46.50
COC1=CC(S(=O)(=O)NCC2(OC(C)C)CCOC2)=CC=C1C(=O)[O-]	REAL300008020777	0	47	-1.0	-54.28	375.26	3.28	-51.00
COC1=CC=C(S(=O)(=O)NCC2(OC(C)C)CCOC2)C(CC(=O)[O-])=C1	REAL300008020778	0	50	-1.0	-58.15	396.16	3.03	-55.12
CC(C)OC1(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)CCOC1	REAL300008020779	0	46	-1.0	-50.89	382.17	3.62	-47.27
CC(C)OC1(CNS(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)CCOC1	REAL300008020780	0	52	-1.0	-47.22	401.13	4.84	-42.38
CC(C)OC1(CNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CCOC1	REAL300008020781	0	43	-1.0	-49.85	339.23	1.50	-48.35
CC(C)OC1(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CCOC1	REAL300008020782	0	49	-1.0	-51.62	388.40	5.08	-46.54
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2(OC(C)C)CCOC2)=C1	REAL300008020783	0	43	-1.0	-49.69	350.69	2.18	-47.51
CC(C)OC1(CNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)CCOC1	REAL300008020784	0	43	-1.0	-49.80	360.49	3.59	-46.21
CC(C)OC1(CNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)CCOC1	REAL300008020785	0	40	-1.0	-59.40	331.08	1.56	-57.84
CC(C)OC1(CNS(=O)(=O)C2(C(=O)[O-])CCC2)CCOC1	REAL300008020786	0	43	-1.0	-47.69	333.41	1.86	-45.83
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2(OC(C)C)CCOC2)=C1	REAL300008020787	0	47	-1.0	-51.01	371.09	3.05	-47.96
CC(C)OC1(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])CCOC1	REAL300008020788	0	40	-1.0	-53.74	330.15	-0.19	-53.93
CC(C)OC1(CNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)CCOC1	REAL300008020789	0	43	-1.0	-49.85	339.23	1.50	-48.35
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(OC(C)C)CCOC1	REAL300008020791	0	50	-1.0	-52.12	398.92	3.00	-49.12
CC(C)OC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CCOC1	REAL300008020792	0	42	-1.0	-50.37	347.86	1.14	-49.23
CC(C)OC1(CNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])CCOC1	REAL300008020793	0	46	-1.0	-56.52	358.03	4.48	-52.04
CC(C)OC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCOC1	REAL300008020794	0	40	-1.0	-46.40	354.25	1.46	-44.94
CC(C)OC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)CCOC1	REAL300008020795	0	49	-1.0	-50.87	385.57	5.07	-45.80
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(OC(C)C)CCOC1	REAL300008020796	0	50	-1.0	-56.46	396.62	3.33	-53.13
COC1=CC=C(S(=O)(=O)NCC2(OC(C)C)CCOC2)C(C(=O)[O-])=C1	REAL300008020797	0	47	-1.0	-51.51	364.19	3.53	-47.98
CC(C)OC1(CNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)CCOC1	REAL300008020798	0	42	-1.0	-56.98	350.67	1.04	-55.94
CC(C)OC1(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)CCOC1	REAL300008020799	0	40	-1.0	-44.73	335.96	-0.87	-45.60
CC(C)OC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)CCOC1	REAL300008020800	0	43	-1.0	-54.18	349.48	0.96	-53.22
CC(C)OC1(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)CCOC1	REAL300008020801	0	49	-1.0	-52.94	400.48	5.06	-47.88
CC(C)OC1(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCOC1	REAL300008020802	0	43	-1.0	-54.28	345.04	1.87	-52.41
CC(C)OC1(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCOC1	REAL300008020803	0	46	-1.0	-54.00	360.62	2.48	-51.52
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(OC(C)C)CCOC2)S1	REAL300008020804	0	43	-1.0	-50.02	358.05	2.90	-47.12
CC(C)OC1(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])CCOC1	REAL300008020805	0	49	-1.0	-55.87	384.14	5.98	-49.89
CC(C)OC1(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CCOC1	REAL300008020806	0	46	-1.0	-57.48	366.92	3.69	-53.79
CC(C)OC1(CNS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)CCOC1	REAL300008020807	0	46	-1.0	-60.48	380.20	1.57	-58.91
CC(C)OC1(CNS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)CCOC1	REAL300008020808	0	46	-1.0	-45.79	374.60	4.51	-41.28
CC(C)OC1(CNS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])CCOC1	REAL300008020809	0	43	-1.0	-55.19	350.42	2.17	-53.02
CC(C)OC1(CNS(=O)(=O)N2CCCCC2C(=O)[O-])CCOC1	REAL300008020810	0	48	-1.0	-53.10	360.17	2.94	-50.16
CC(C)OC1(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)CCOC1	REAL300008020811	0	40	-1.0	-44.73	335.96	-0.87	-45.60
CC(C)OC1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCOC1	REAL300008020812	0	45	-1.0	-57.35	355.07	1.77	-55.58
CC(C)OC1(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])CCOC1	REAL300008020813	0	40	-1.0	-53.74	330.15	-0.19	-53.93
CC(C)OC1(CNS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)CCOC1	REAL300008020814	0	40	-1.0	-44.16	352.64	3.27	-40.89
CC(C)OC1(CNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CCOC1	REAL300008020815	0	43	-1.0	-58.80	338.57	2.41	-56.39
CC1=CC(S(=O)(=O)NCC2(OC(C)C)CCOC2)=CN=C1C(=O)[O-]	REAL300008020816	0	45	-1.0	-52.22	367.47	1.55	-50.67
CC(C)OC1(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CCOC1	REAL300008020817	0	46	-1.0	-57.48	366.92	3.69	-53.79
CCOC1=CC=C(S(=O)(=O)NCC2(OC(C)C)CCOC2)C=C1C(=O)[O-]	REAL300008020818	0	50	-1.0	-57.97	393.95	4.29	-53.68
CC(C)OC1(CNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)CCOC1	REAL300008020819	0	50	-1.0	-52.61	393.41	5.10	-47.51
CC(C)OC1(CNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])CCOC1	REAL300008020820	0	42	-1.0	-46.97	339.88	1.80	-45.17
CC(C)OC1(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)CCOC1	REAL300008020821	0	48	-1.0	-56.56	396.34	3.19	-53.37
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008020822	0	50	-1.0	-50.12	407.96	9.27	-40.85
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008020823	0	50	-1.0	-54.21	410.33	9.33	-44.88
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008020824	0	53	-1.0	-59.49	415.70	9.69	-49.80
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008020825	0	53	-1.0	-55.45	429.97	10.00	-45.45
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008020826	0	47	-1.0	-49.10	388.10	8.49	-40.61
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008020827	0	50	-1.0	-54.21	410.33	9.33	-44.88
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008020828	0	50	-1.0	-50.12	407.96	9.27	-40.85
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008020829	0	50	-1.0	-64.84	401.25	10.31	-54.53
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008020830	0	48	-1.0	-52.12	398.83	7.07	-45.05
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008020831	0	50	-1.0	-52.47	414.88	7.46	-45.01
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008020832	0	47	-1.0	-47.70	402.94	8.42	-39.28
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008020833	0	47	-1.0	-53.37	382.58	6.22	-47.15
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008020834	0	55	-1.0	-51.26	416.16	8.38	-42.88
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008020835	0	55	-1.0	-47.46	427.02	8.46	-39.00
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008020836	0	50	-1.0	-64.84	401.25	10.31	-54.53
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008020837	0	47	-1.0	-53.99	389.78	7.75	-46.24
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008020838	0	50	-1.0	-51.88	407.97	8.22	-43.66
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)CCCC(=O)[O-]	REAL300008020839	0	49	-1.0	-52.27	394.14	7.91	-44.36
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008020840	0	52	-1.0	-60.37	409.90	8.41	-51.96
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008020841	0	53	-1.0	-59.26	432.26	10.21	-49.05
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008020842	0	55	-1.0	-47.46	427.02	8.46	-39.00
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008020843	0	53	-1.0	-62.35	430.02	9.98	-52.37
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008020844	0	47	-1.0	-53.99	389.78	7.75	-46.24
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)CCCC(=O)[O-]	REAL300008020845	0	49	-1.0	-52.27	394.14	7.91	-44.36
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008020846	0	47	-1.0	-50.61	403.50	8.36	-42.25
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300008020847	0	53	-1.0	-68.56	426.93	10.23	-58.33
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008020848	0	47	-1.0	-52.29	401.98	8.39	-43.90
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300008020849	0	53	-1.0	-49.66	411.48	9.54	-40.12
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008020850	0	53	-1.0	-51.25	430.16	10.03	-41.22
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008020851	0	47	-1.0	-49.41	395.33	7.44	-41.97
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008020852	0	53	-1.0	-53.75	432.49	10.10	-43.65
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008020853	0	50	-1.0	-54.87	409.22	8.34	-46.53
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008020854	0	49	-1.0	-48.79	403.41	7.46	-41.33
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008020855	0	46	-1.0	-69.83	385.86	7.65	-62.18
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008020856	0	46	-1.0	-55.97	380.09	6.61	-49.36
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008020857	0	49	-1.0	-67.93	398.00	8.48	-59.45
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)CCCCCC(=O)[O-]	REAL300008020858	0	55	-1.0	-52.45	437.14	9.47	-42.98
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008020859	0	49	-1.0	-51.85	403.84	7.47	-44.38
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300008020860	0	53	-1.0	-48.58	426.33	9.88	-38.70
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)N(C)CCC(=O)[O-]	REAL300008020861	0	51	-1.0	-51.81	406.69	7.47	-44.34
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300008020862	0	50	-1.0	-51.26	402.64	9.32	-41.94
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008020863	0	53	-1.0	-59.26	432.26	10.21	-49.05
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008020864	0	53	-1.0	-55.45	429.97	10.00	-45.45
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008020865	0	53	-1.0	-59.49	415.70	9.69	-49.80
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008020866	0	53	-1.0	-51.20	419.74	9.26	-41.94
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008020867	0	53	-1.0	-53.75	432.49	10.10	-43.65
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300008020868	0	53	-1.0	-54.22	426.13	8.82	-45.40
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300008020869	0	52	-1.0	-47.11	419.31	7.99	-39.12
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008020870	0	50	-1.0	-50.78	397.40	7.46	-43.32
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008020871	0	50	-1.0	-55.06	407.75	8.35	-46.71
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008020872	0	47	-1.0	-54.59	383.62	8.02	-46.57
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008020873	0	50	-1.0	-59.41	375.20	8.54	-50.87
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008020874	0	47	-1.0	-53.37	382.58	6.22	-47.15
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008020875	0	50	-1.0	-50.78	397.40	7.46	-43.32
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008020876	0	49	-1.0	-48.27	406.53	7.46	-40.81
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008020877	0	53	-1.0	-57.20	421.17	10.42	-46.78
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008020878	0	49	-1.0	-54.56	406.39	7.57	-46.99
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008020879	0	47	-1.0	-44.26	393.80	5.59	-38.67
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008020880	0	50	-1.0	-54.22	407.63	6.95	-47.27
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008020881	0	50	-1.0	-54.46	391.58	8.29	-46.17
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008020882	0	53	-1.0	-55.50	409.81	8.90	-46.60
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300008020883	0	50	-1.0	-50.63	420.39	9.02	-41.61
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008020884	0	53	-1.0	-46.64	413.34	9.68	-36.96
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008020885	0	50	-1.0	-56.11	394.39	8.65	-47.46
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008020886	0	55	-1.0	-54.97	413.11	8.98	-45.99
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008020887	0	47	-1.0	-44.26	393.80	5.59	-38.67
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008020888	0	52	-1.0	-49.13	405.38	7.72	-41.41
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008020889	0	47	-1.0	-53.37	382.58	6.22	-47.15
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008020890	0	50	-1.0	-62.69	379.69	8.67	-54.02
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300008020891	0	52	-1.0	-51.82	417.74	8.00	-43.82
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008020892	0	53	-1.0	-46.64	413.34	9.68	-36.96
CCCCN(CC1=C(C)OC(C)=C1C)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008020893	0	49	-1.0	-60.38	394.64	8.28	-52.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020894	0	39	-1.0	-58.44	304.16	6.45	-51.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020895	0	40	-1.0	-57.84	320.99	5.93	-51.91
CC1=CC=C(S(=O)(=O)N2CCCC23CCC3)C=C1C(=O)[O-]	REAL300008020896	0	39	-1.0	-52.75	309.40	6.44	-46.31
O=C([O-])C1=C(S(=O)(=O)N2CCCC23CCC3)C=CS1	REAL300008020897	0	33	-1.0	-50.77	270.74	5.37	-45.40
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC23CCC3)S1	REAL300008020898	0	33	-1.0	-48.78	277.43	4.93	-43.85
O=C([O-])C1CCCN(S(=O)(=O)N2CCCC23CCC3)C1	REAL300008020899	0	41	-1.0	-50.16	313.27	5.12	-45.04
O=C([O-])C1CCN(S(=O)(=O)N2CCCC23CCC3)CC1	REAL300008020900	0	41	-1.0	-51.63	310.20	4.96	-46.67
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020901	0	36	-1.0	-61.24	306.81	7.64	-53.60
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCC23CCC3)C=C1	REAL300008020902	0	39	-1.0	-56.69	320.34	6.75	-49.94
O=C([O-])C1CCN(S(=O)(=O)N2CCCC23CCC3)CC1	REAL300008020903	0	41	-1.0	-51.63	310.20	4.96	-46.67
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020904	0	39	-1.0	-59.07	312.63	6.63	-52.44
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCCC23CCC3)C=C1	REAL300008020905	0	40	-1.0	-47.85	324.43	6.16	-41.69
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020906	0	40	-1.0	-45.57	332.23	6.97	-38.60
O=C([O-])C1=CSC(S(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020907	0	33	-1.0	-50.72	279.28	4.85	-45.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC23CCC3)=C1C	REAL300008020908	0	42	-1.0	-51.54	331.31	7.47	-44.07
CC1=CC=CC(S(=O)(=O)N2CCCC23CCC3)=C1C(=O)[O-]	REAL300008020909	0	39	-1.0	-74.95	316.00	7.08	-67.87
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020910	0	43	-1.0	-55.51	348.48	5.61	-49.90
O=C([O-])C1=CC(S(=O)(=O)N2CCCC23CCC3)=CS1	REAL300008020911	0	33	-1.0	-51.67	276.75	4.80	-46.87
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020912	0	39	-1.0	-59.04	328.83	8.11	-50.93
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020913	0	39	-1.0	-49.02	298.78	6.33	-42.69
O=C([O-])C1=C(S(=O)(=O)N2CCCC23CCC3)C2=CC=CC=C2S1	REAL300008020914	0	39	-1.0	-71.30	312.58	8.08	-63.22
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCC23CCC3)C=C1	REAL300008020915	0	39	-1.0	-46.64	315.58	6.66	-39.98
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC23CCC3)C=C1[N+](=O)[O-]	REAL300008020916	0	41	-1.0	-43.37	331.67	6.93	-36.44
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020917	0	39	-1.0	-48.79	315.58	6.66	-42.13
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020918	0	32	-1.0	-53.40	269.51	3.80	-49.60
O=C([O-])C1=C(S(=O)(=O)N2CCCC23CCC3)SC=N1	REAL300008020919	0	32	-1.0	-68.55	270.23	3.48	-65.07
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020920	0	36	-1.0	-47.47	310.19	6.39	-41.08
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020921	0	36	-1.0	-47.57	314.75	6.50	-41.07
COC1=CC=C(S(=O)(=O)N2CCCC23CCC3)C=C1C(=O)[O-]	REAL300008020922	0	40	-1.0	-60.05	320.67	5.97	-54.08
CC1=CC(S(=O)(=O)N2CCCC23CCC3)=CC=C1C(=O)[O-]	REAL300008020923	0	39	-1.0	-47.88	309.41	6.44	-41.44
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CCCC34CCC4)C=CC=C21	REAL300008020924	0	41	-1.0	-56.69	330.96	6.61	-50.08
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020925	0	43	-1.0	-55.51	348.48	5.61	-49.90
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020926	0	36	-1.0	-47.47	310.19	6.39	-41.08
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020927	0	36	-1.0	-66.43	286.69	6.37	-60.06
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020928	0	39	-1.0	-45.56	328.51	7.36	-38.20
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCCC34CCC4)C=C21	REAL300008020929	0	42	-1.0	-50.18	340.38	7.22	-42.96
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCC23CCC3)C=C1	REAL300008020930	0	39	-1.0	-56.69	320.34	6.75	-49.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020931	0	40	-1.0	-57.84	320.99	5.93	-51.91
CC1=CC=C(S(=O)(=O)N2CCCC23CCC3)C=C1C(=O)[O-]	REAL300008020932	0	39	-1.0	-52.75	309.40	6.44	-46.31
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020933	0	39	-1.0	-58.44	304.16	6.45	-51.99
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020934	0	40	-1.0	-48.02	327.23	6.13	-41.89
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020935	0	39	-1.0	-48.79	315.58	6.66	-42.13
COC1=C(S(=O)(=O)N2CCCC23CCC3)SC(C(=O)[O-])=C1	REAL300008020936	0	37	-1.0	-48.62	320.46	5.00	-43.62
CC1=C(Br)C=C(S(=O)(=O)N2CCCC23CCC3)C=C1C(=O)[O-]	REAL300008020937	0	39	-1.0	-49.37	331.31	7.05	-42.32
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCCC34CCC4)=CC=C2O1	REAL300008020938	0	41	-1.0	-48.48	330.25	6.56	-41.92
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC23CCC3)C=C1C(F)(F)F	REAL300008020939	0	39	-1.0	-46.60	323.49	6.71	-39.89
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCCC34CCC4)C=C2)CC1	REAL300008020940	0	43	-1.0	-52.55	331.26	7.64	-44.91
CCC1=C(S(=O)(=O)N2CCCC23CCC3)C=C(C(=O)[O-])O1	REAL300008020941	0	39	-1.0	-53.92	309.63	5.64	-48.28
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020942	0	38	-1.0	-62.40	318.31	7.79	-54.61
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CCCC34CCC4)=CC=C2S1	REAL300008020943	0	39	-1.0	-50.00	331.28	7.38	-42.62
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020944	0	38	-1.0	-53.74	318.27	7.79	-45.95
CC1=NC=C(S(=O)(=O)N2CCCC23CCC3)C=C1C(=O)[O-]	REAL300008020945	0	38	-1.0	-47.75	304.96	4.62	-43.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020946	0	40	-1.0	-49.36	321.03	5.96	-43.40
COC1=CC(S(=O)(=O)N2CCCC23CCC3)=CC=C1C(=O)[O-]	REAL300008020947	0	40	-1.0	-53.66	320.64	5.98	-47.68
COC1=CC=C(S(=O)(=O)N2CCCC23CCC3)C(CC(=O)[O-])=C1	REAL300008020948	0	43	-1.0	-67.63	341.70	6.47	-61.16
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCC23CCC3)C=C1F	REAL300008020949	0	39	-1.0	-50.84	320.86	6.73	-44.11
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020950	0	39	-1.0	-46.75	324.14	6.76	-39.99
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCCC23CCC3)C=C1	REAL300008020951	0	45	-1.0	-50.61	348.31	7.56	-43.05
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCCC34CCC4)C=CC=C12	REAL300008020952	0	42	-1.0	-54.15	335.14	8.40	-45.75
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020953	0	36	-1.0	-61.35	311.37	7.74	-53.61
O=C([O-])C1=CC(S(=O)(=O)N2CCCC23CCC3)=CC=C1Cl	REAL300008020954	0	36	-1.0	-52.04	305.92	6.30	-45.74
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020955	0	40	-1.0	-66.30	319.46	6.45	-59.85
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N2CCCC23CCC3)=C1OC	REAL300008020956	0	48	-1.0	-50.88	379.66	7.23	-43.65
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020958	0	43	-1.0	-48.84	346.21	6.20	-42.64
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCCC12CCC2	REAL300008020959	0	39	-1.0	-58.82	311.55	7.23	-51.59
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020960	0	33	-1.0	-46.87	294.17	4.59	-42.28
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC23CCC3)C2=CC=CC=C12	REAL300008020961	0	42	-1.0	-51.34	319.75	7.80	-43.54
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020962	0	43	-1.0	-57.53	341.98	6.83	-50.70
COC1=CC=C(S(=O)(=O)N2CCCC23CCC3)C(C(=O)[O-])=C1	REAL300008020963	0	40	-1.0	-70.56	319.53	6.42	-64.14
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CCCC34CCC4)C=C2C=C1	REAL300008020964	0	42	-1.0	-50.87	339.24	8.15	-42.72
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC23CCC3)S1	REAL300008020965	0	36	-1.0	-50.99	304.36	5.61	-45.38
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020966	0	42	-1.0	-56.61	318.36	8.38	-48.23
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCCC23CCC3)=C1	REAL300008020967	0	39	-1.0	-43.78	325.94	7.46	-36.32
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020968	0	39	-1.0	-66.09	312.86	7.24	-58.85
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1CCCC13CCC3)=C2	REAL300008020969	0	36	-1.0	-48.47	315.99	6.42	-42.05
O=C([O-])C1=NC(S(=O)(=O)N2CCCC23CCC3)=C2C=CC=CN21	REAL300008020970	0	39	-1.0	-69.70	325.34	4.83	-64.87
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCCC34CCC4)=C2C=C1	REAL300008020971	0	39	-1.0	-45.87	325.51	7.43	-38.44
O=C([O-])C1CCCCN1S(=O)(=O)N1CCCC12CCC2	REAL300008020972	0	41	-1.0	-54.89	291.32	5.32	-49.57
O=C([O-])C1=C(S(=O)(=O)N2CCCC23CCC3)C=C(Cl)S1	REAL300008020973	0	33	-1.0	-57.82	301.18	6.37	-51.45
CC1=CC(S(=O)(=O)N2CCCC23CCC3)=CN=C1C(=O)[O-]	REAL300008020974	0	38	-1.0	-50.50	306.07	4.66	-45.84
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCC12CCC2	REAL300008020975	0	39	-1.0	-66.09	312.86	7.24	-58.85
CCOC1=CC=C(S(=O)(=O)N2CCCC23CCC3)C=C1C(=O)[O-]	REAL300008020976	0	43	-1.0	-59.09	342.34	6.90	-52.19
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCCC34CCC4)C=C2C1	REAL300008020977	0	43	-1.0	-48.71	338.49	7.77	-40.94
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCCC34CCC4)C=C2C=C1	REAL300008020978	0	41	-1.0	-53.66	335.11	6.28	-47.38
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008020979	0	45	-1.0	-49.69	375.29	9.07	-40.62
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008020980	0	45	-1.0	-52.49	375.00	9.08	-43.41
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008020981	0	42	-1.0	-63.65	364.73	8.90	-54.75
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008020982	0	45	-1.0	-52.49	375.00	9.08	-43.41
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008020983	0	45	-1.0	-49.69	375.29	9.07	-40.62
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008020984	0	45	-1.0	-69.93	368.87	10.20	-59.73
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008020985	0	43	-1.0	-50.35	364.86	6.81	-43.54
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008020986	0	45	-1.0	-51.63	380.96	7.22	-44.41
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008020987	0	42	-1.0	-48.38	368.81	8.26	-40.12
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008020988	0	42	-1.0	-52.77	355.15	6.32	-46.45
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008020989	0	45	-1.0	-69.93	368.87	10.20	-59.73
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008020990	0	42	-1.0	-50.39	361.67	7.50	-42.89
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C3=CC=C(Cl)C=C3)C2(C)C)O1	REAL300008020991	0	45	-1.0	-49.94	382.18	8.08	-41.86
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)CCCC(=O)[O-]	REAL300008020992	0	44	-1.0	-52.18	363.97	7.82	-44.36
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008020993	0	47	-1.0	-62.23	376.40	8.20	-54.03
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008020994	0	42	-1.0	-50.39	361.67	7.50	-42.89
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)CCCC(=O)[O-]	REAL300008020995	0	44	-1.0	-52.18	363.97	7.82	-44.36
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008020996	0	42	-1.0	-49.95	369.86	8.16	-41.79
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008020997	0	42	-1.0	-51.28	367.82	8.16	-43.12
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008020998	0	42	-1.0	-49.60	361.23	7.23	-42.37
CC1=C(S(=O)(=O)N2CCC(C3=CC=C(Cl)C=C3)C2(C)C)C=C(C(=O)[O-])O1	REAL300008020999	0	45	-1.0	-55.91	378.76	8.19	-47.72
CC1(C)C(C2=CC=C(Cl)C=C2)CCN1S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008021000	0	44	-1.0	-49.33	370.57	7.26	-42.07
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021429	0	33	-1.0	-58.17	295.72	3.49	-54.68
CC1=C(Br)C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008021430	0	34	-1.0	-46.87	319.61	5.46	-41.41
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021431	0	40	-1.0	-60.85	351.20	3.73	-57.12
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C	REAL300008021432	0	40	-1.0	-52.74	352.70	0.56	-52.18
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008021433	0	47	-1.0	-47.20	343.81	5.39	-41.81
CC1=NC2=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300008021434	0	37	-1.0	-63.82	319.38	5.05	-58.77
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008021435	0	37	-1.0	-58.09	322.33	5.64	-52.45
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008021436	0	40	-1.0	-50.19	338.48	2.14	-48.05
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021437	0	43	-1.0	-61.16	383.07	4.73	-56.43
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021438	0	43	-1.0	-61.22	378.13	4.89	-56.33
COCCOCCOCCS(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021439	0	43	-1.0	-51.02	366.02	1.07	-49.95
CC(COC1CCCC1)CS(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021440	0	45	-1.0	-44.51	358.23	5.12	-39.39
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300008021441	0	44	-1.0	-60.88	384.03	4.95	-55.93
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021442	0	36	-1.0	-45.69	329.38	3.91	-41.78
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008021443	0	37	-1.0	-48.91	317.02	1.56	-47.35
COC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021444	0	33	-1.0	-46.10	311.62	3.52	-42.58
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008021445	0	33	-1.0	-54.52	305.48	3.75	-50.77
COC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008021446	0	35	-1.0	-46.31	316.22	4.31	-42.00
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021447	0	35	-1.0	-41.31	307.61	5.51	-35.80
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021448	0	35	-1.0	-40.09	307.27	5.53	-34.56
CC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300008021449	0	35	-1.0	-44.47	315.27	5.11	-39.36
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CCCN1CCOCC1	REAL300008021450	0	41	-1.0	-45.98	331.16	0.73	-45.25
COCCN1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=N1	REAL300008021451	0	36	-1.0	-49.95	317.78	1.41	-48.54
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008021452	0	36	-1.0	-52.99	325.06	4.11	-48.88
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1C	REAL300008021453	0	56	-1.0	-51.33	446.27	8.09	-43.24
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1F	REAL300008021454	0	43	-1.0	-49.50	381.17	1.99	-47.51
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008021455	0	37	-1.0	-47.76	334.31	5.76	-42.00
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008021456	0	34	-1.0	-49.09	301.91	3.92	-45.17
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008021457	0	32	-1.0	-45.27	302.51	5.09	-40.18
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1Br	REAL300008021458	0	32	-1.0	-46.75	298.04	5.05	-41.70
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008021459	0	36	-1.0	-66.59	322.24	1.65	-64.94
CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021460	0	32	-1.0	-47.26	300.28	5.06	-42.20
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021461	0	32	-1.0	-44.49	286.63	4.95	-39.54
COC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC=C1Br	REAL300008021462	0	33	-1.0	-45.24	307.27	3.74	-41.50
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1Cl	REAL300008021463	0	37	-1.0	-44.63	330.61	3.66	-40.97
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008021464	0	32	-1.0	-54.58	302.00	2.87	-51.71
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008021465	0	32	-1.0	-51.26	297.10	2.65	-48.61
CC1(C)CC2=CC(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])=CC=C2O1	REAL300008021466	0	40	-1.0	-48.60	338.34	4.86	-43.74
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008021467	0	32	-1.0	-54.85	298.06	2.88	-51.97
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021468	0	40	-1.0	-48.93	329.30	2.20	-46.73
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1I	REAL300008021469	0	32	-1.0	-47.75	306.05	5.22	-42.53
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021470	0	41	-1.0	-54.99	364.37	2.79	-52.20
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021471	0	46	-1.0	-50.45	394.15	3.48	-46.97
CSC1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021472	0	33	-1.0	-58.48	293.93	4.92	-53.56
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021473	0	46	-1.0	-53.18	400.29	2.29	-50.89
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1F	REAL300008021474	0	37	-1.0	-50.78	339.64	0.34	-50.44
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])S1	REAL300008021475	0	43	-1.0	-53.66	393.41	1.43	-52.23
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(OC)=C1	REAL300008021476	0	44	-1.0	-47.27	379.21	1.58	-45.69
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(F)=C1	REAL300008021477	0	43	-1.0	-60.10	381.15	2.13	-57.97
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021478	0	43	-1.0	-51.94	379.86	1.37	-50.57
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021479	0	40	-1.0	-58.72	336.07	3.19	-55.53
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1F	REAL300008021480	0	43	-1.0	-49.66	382.60	2.02	-47.64
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300008021481	0	44	-1.0	-48.67	356.50	4.29	-44.38
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1F	REAL300008021482	0	40	-1.0	-49.94	361.10	1.23	-48.71
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008021483	0	44	-1.0	-52.07	371.13	4.20	-47.87
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008021484	0	41	-1.0	-50.49	347.49	3.22	-47.27
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021485	0	38	-1.0	-53.52	339.57	2.18	-51.34
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021486	0	39	-1.0	-67.48	350.01	0.94	-66.54
CCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1Br	REAL300008021487	0	36	-1.0	-49.01	329.14	4.66	-44.35
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300008021488	0	43	-1.0	-48.54	368.99	6.66	-41.88
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008021489	0	33	-1.0	-54.32	315.80	4.21	-50.11
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300008021490	0	35	-1.0	-46.97	337.87	1.89	-45.08
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021491	0	36	-1.0	-48.49	327.45	4.36	-44.13
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C2S1	REAL300008021492	0	43	-1.0	-48.84	370.62	5.74	-43.10
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021493	0	36	-1.0	-44.71	324.55	5.00	-39.71
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])=CC=C21	REAL300008021494	0	41	-1.0	-49.96	348.32	5.31	-44.65
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021495	0	36	-1.0	-53.69	321.39	-1.49	-55.18
CC1=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008021496	0	35	-1.0	-49.25	314.90	4.89	-44.36
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008021497	0	32	-1.0	-45.62	317.00	5.56	-40.06
CC1=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008021498	0	35	-1.0	-44.47	326.00	6.41	-38.06
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300008021499	0	32	-1.0	-47.23	308.60	5.58	-41.65
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008021500	0	35	-1.0	-50.46	312.26	6.54	-43.92
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008021501	0	35	-1.0	-47.39	318.37	5.55	-41.84
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008021502	0	40	-1.0	-47.79	338.60	5.10	-42.69
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008021503	0	43	-1.0	-58.62	376.08	6.98	-51.64
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021504	0	42	-1.0	-53.89	364.81	5.34	-48.55
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008021505	0	40	-1.0	-51.67	357.54	0.83	-50.84
CC1=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008021506	0	38	-1.0	-50.75	326.99	6.50	-44.25
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1N(C)C	REAL300008021507	0	40	-1.0	-46.75	335.31	4.22	-42.53
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300008021508	0	35	-1.0	-45.73	318.99	5.71	-40.02
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008021509	0	34	-1.0	-52.58	288.39	0.83	-51.75
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CCOCC1CCCC1	REAL300008021510	0	42	-1.0	-45.99	342.27	4.23	-41.76
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1Cl	REAL300008021511	0	36	-1.0	-41.38	314.07	4.36	-37.02
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021512	0	38	-1.0	-54.95	341.92	1.99	-52.96
CSC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1Cl	REAL300008021513	0	33	-1.0	-44.89	315.90	5.04	-39.85
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021514	0	41	-1.0	-49.51	325.53	4.05	-45.46
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008021515	0	37	-1.0	-50.75	328.76	2.34	-48.41
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C12	REAL300008021516	0	36	-1.0	-50.66	318.85	1.50	-49.16
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008021517	0	40	-1.0	-50.22	354.08	3.61	-46.61
CN1N=CC2=CC(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])=CN=C21	REAL300008021518	0	34	-1.0	-50.93	305.20	2.73	-48.20
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008021519	0	35	-1.0	-46.75	324.64	6.64	-40.11
CCC1=CC(CC)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(CC)=C1	REAL300008021520	0	47	-1.0	-45.03	353.73	8.27	-36.76
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021521	1	44	-1.0	-55.49	373.33	0.97	-54.52
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008021522	0	35	-1.0	-44.43	326.22	1.86	-42.57
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008021523	0	38	-1.0	-46.52	324.25	7.43	-39.09
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C)=C1F	REAL300008021524	0	36	-1.0	-48.25	303.10	3.76	-44.49
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008021525	0	38	-1.0	-47.11	320.09	5.23	-41.88
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008021527	0	37	-1.0	-49.01	326.98	5.04	-43.97
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021528	0	36	-1.0	-47.12	329.31	4.00	-43.12
CC1=CC=C(CS(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(F)=C1	REAL300008021529	0	35	-1.0	-51.53	307.93	5.19	-46.34
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008021531	0	29	-1.0	-41.56	293.94	3.80	-37.76
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008021532	0	42	-1.0	-46.26	346.08	7.04	-39.22
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=NO1	REAL300008021533	0	40	-1.0	-50.79	339.33	4.50	-46.29
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008021534	0	38	-1.0	-54.45	318.66	0.95	-53.50
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008021535	0	32	-1.0	-46.33	294.23	4.26	-42.07
CC1=C(CCS(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])SC=N1	REAL300008021536	0	34	-1.0	-47.00	306.74	3.00	-44.00
COC1=CC=C2C=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])CCC2=C1	REAL300008021537	0	41	-1.0	-49.32	343.97	5.27	-44.05
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC12CCC(CC1)CC2	REAL300008021538	0	42	-1.0	-45.61	314.99	5.79	-39.82
CC(C)(CCS(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300008021539	0	40	-1.0	-55.32	330.77	0.88	-54.44
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1CCCCC1(F)F	REAL300008021540	0	38	-1.0	-47.78	309.69	4.94	-42.84
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C12	REAL300008021541	0	44	-1.0	-51.13	381.02	7.02	-44.11
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C12	REAL300008021542	0	48	-1.0	-48.45	399.11	4.54	-43.91
CCC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008021543	0	37	-1.0	-44.07	319.97	5.61	-38.46
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008021544	0	29	-1.0	-44.73	282.00	4.20	-40.53
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008021545	0	31	-1.0	-44.45	288.93	4.25	-40.20
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008021546	0	35	-1.0	-50.20	303.39	6.05	-44.15
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008021547	0	31	-1.0	-43.72	285.79	4.45	-39.27
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021548	0	34	-1.0	-39.42	296.84	5.19	-34.23
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008021549	0	31	-1.0	-58.56	270.75	5.23	-53.33
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021550	0	36	-1.0	-57.59	329.65	5.11	-52.48
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1C	REAL300008021551	0	41	-1.0	-46.64	317.95	6.43	-40.21
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021552	0	44	-1.0	-44.10	344.52	6.73	-37.37
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008021553	0	32	-1.0	-43.70	296.58	4.78	-38.92
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008021554	0	32	-1.0	-45.14	279.32	4.29	-40.85
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008021555	0	35	-1.0	-55.11	313.05	4.52	-50.59
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021556	0	41	-1.0	-47.62	333.60	6.09	-41.53
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021557	0	46	-1.0	-51.70	394.19	3.49	-48.21
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021558	0	40	-1.0	-51.98	352.99	1.77	-50.21
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1Br	REAL300008021559	0	33	-1.0	-45.25	310.60	3.54	-41.71
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300008021560	0	35	-1.0	-42.68	338.50	5.60	-37.08
CC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC=C1Br	REAL300008021561	0	32	-1.0	-45.07	296.99	4.95	-40.12
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C2)=C1	REAL300008021562	0	43	-1.0	-48.37	370.80	7.11	-41.26
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008021563	0	33	-1.0	-43.70	306.68	3.36	-40.34
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C)=C1C	REAL300008021564	0	44	-1.0	-48.57	331.08	6.84	-41.73
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008021565	0	38	-1.0	-49.03	320.40	3.72	-45.31
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021566	0	45	-1.0	-59.17	365.47	5.70	-53.47
CN1C=C(Br)C2=CC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C21	REAL300008021567	0	36	-1.0	-51.88	333.02	6.16	-45.72
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008021568	0	34	-1.0	-53.72	301.78	4.97	-48.75
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021569	0	33	-1.0	-57.57	310.61	4.04	-53.53
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021570	0	47	-1.0	-46.11	358.62	7.62	-38.49
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008021571	0	32	-1.0	-44.16	296.14	4.78	-39.38
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008021572	0	39	-1.0	-49.13	320.26	6.26	-42.87
COC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021573	0	37	-1.0	-47.24	313.89	3.24	-44.00
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1OC	REAL300008021574	0	37	-1.0	-48.44	319.42	2.77	-45.67
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008021575	0	37	-1.0	-48.40	312.56	6.21	-42.19
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021576	0	44	-1.0	-47.08	360.85	7.28	-39.80
CCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1OCC	REAL300008021577	0	43	-1.0	-48.31	363.13	4.61	-43.70
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021578	0	34	-1.0	-52.96	311.62	-1.28	-54.24
CC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300008021579	0	37	-1.0	-52.82	319.24	5.50	-47.32
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1C	REAL300008021580	0	37	-1.0	-39.29	314.62	5.75	-33.54
CC1=CC2=CC=CC(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])=C2N=C1	REAL300008021581	0	37	-1.0	-55.04	317.56	5.26	-49.78
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008021582	0	35	-1.0	-57.67	300.29	4.54	-53.13
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021583	0	33	-1.0	-44.47	301.13	4.46	-40.01
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021584	0	34	-1.0	-57.32	314.94	-1.47	-58.79
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008021585	0	41	-1.0	-57.63	369.72	1.43	-56.20
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021586	0	37	-1.0	-48.96	322.50	5.27	-43.69
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008021587	0	38	-1.0	-45.98	313.86	5.05	-40.93
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300008021588	0	37	-1.0	-48.05	310.85	4.97	-43.08
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C	REAL300008021589	0	37	-1.0	-58.14	314.06	6.43	-51.71
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021590	0	40	-1.0	-57.54	353.71	1.73	-55.81
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008021591	0	41	-1.0	-61.77	344.04	3.12	-58.65
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021592	0	35	-1.0	-60.94	321.40	1.10	-59.84
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008021593	0	39	-1.0	-50.23	324.38	7.30	-42.93
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008021594	0	35	-1.0	-49.52	295.34	6.02	-43.50
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008021595	0	39	-1.0	-49.42	334.87	6.98	-42.44
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=CC=C12	REAL300008021596	0	43	-1.0	-48.40	349.07	5.89	-42.51
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008021597	0	30	-1.0	-52.05	280.77	2.22	-49.83
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021598	0	33	-1.0	-57.70	306.05	3.94	-53.76
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021599	0	44	-1.0	-47.52	351.14	6.37	-41.15
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1Cl	REAL300008021600	0	32	-1.0	-48.17	296.17	4.69	-43.48
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021601	0	39	-1.0	-47.40	329.96	4.42	-42.98
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008021602	0	32	-1.0	-45.33	297.95	4.99	-40.34
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008021603	0	34	-1.0	-53.17	309.58	6.24	-46.93
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008021604	0	34	-1.0	-54.08	295.78	4.66	-49.42
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008021605	0	40	-1.0	-50.87	362.93	7.17	-43.70
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021606	0	35	-1.0	-53.33	317.53	4.08	-49.25
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1F	REAL300008021607	0	33	-1.0	-45.46	296.41	2.93	-42.53
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008021608	0	40	-1.0	-46.12	362.80	7.13	-38.99
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300008021609	0	44	-1.0	-48.61	380.61	5.78	-42.83
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C(C)C)=C1	REAL300008021610	0	56	-1.0	-45.38	414.50	9.74	-35.64
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008021611	0	45	-1.0	-49.07	363.95	6.96	-42.11
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008021612	0	32	-1.0	-43.74	313.02	5.43	-38.31
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008021613	0	39	-1.0	-49.29	323.93	5.39	-43.90
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300008021614	0	45	-1.0	-49.59	380.68	1.16	-48.43
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021615	0	34	-1.0	-41.35	297.11	5.18	-36.17
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021616	0	34	-1.0	-51.03	291.82	5.02	-46.01
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021617	0	37	-1.0	-39.38	314.41	6.04	-33.34
CC(C)CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021618	0	41	-1.0	-47.27	341.85	6.26	-41.01
COCCC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021619	0	39	-1.0	-47.55	333.96	4.28	-43.27
COCCN(CCOC)S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021620	0	41	-1.0	-46.02	327.65	0.41	-45.61
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021621	0	32	-1.0	-40.97	285.58	5.03	-35.94
COC1=C(C)C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C	REAL300008021622	0	39	-1.0	-48.41	328.68	4.59	-43.82
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021623	0	45	-1.0	-47.50	372.61	5.89	-41.61
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008021624	0	43	-1.0	-47.55	354.78	5.76	-41.79
CC(C)COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021625	0	42	-1.0	-47.88	353.65	5.29	-42.59
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021626	0	39	-1.0	-47.59	330.23	4.80	-42.79
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1Cl	REAL300008021627	0	33	-1.0	-45.22	306.21	3.43	-41.79
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008021628	0	33	-1.0	-48.19	312.66	3.90	-44.29
CC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300008021629	0	42	-1.0	-48.58	350.17	5.19	-43.39
COCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021630	0	40	-1.0	-50.19	345.67	3.06	-47.13
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021631	0	32	-1.0	-41.47	290.03	5.13	-36.34
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1C	REAL300008021632	0	37	-1.0	-57.74	303.71	6.71	-51.03
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021633	0	38	-1.0	-48.94	329.26	2.05	-46.89
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008021634	0	41	-1.0	-51.87	366.40	1.61	-50.26
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021635	0	37	-1.0	-52.69	337.32	-0.25	-52.94
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021636	0	37	-1.0	-50.35	315.76	1.62	-48.73
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300008021637	0	32	-1.0	-46.73	291.82	5.06	-41.67
COC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC=C1F	REAL300008021638	0	33	-1.0	-45.34	293.07	3.15	-42.19
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008021639	0	39	-1.0	-52.11	334.90	6.99	-45.12
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008021640	0	32	-1.0	-43.93	314.68	5.49	-38.44
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])S2)=CS1	REAL300008021641	0	35	-1.0	-49.29	337.52	4.35	-44.94
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008021642	0	49	-1.0	-47.82	395.28	7.19	-40.63
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021643	0	37	-1.0	-62.67	319.20	5.10	-57.57
CNC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CN1C	REAL300008021644	0	37	-1.0	-50.58	325.21	1.27	-49.31
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C)=C1	REAL300008021645	0	39	-1.0	-46.04	313.14	4.62	-41.42
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008021646	0	40	-1.0	-50.43	341.72	7.87	-42.56
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C	REAL300008021647	0	39	-1.0	-43.92	321.87	4.44	-39.48
CC1=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008021648	0	37	-1.0	-48.70	302.24	4.94	-43.76
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008021649	0	34	-1.0	-51.49	294.84	4.07	-47.42
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-])=C2	REAL300008021650	0	42	-1.0	-55.66	357.38	7.62	-48.04
CCN1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008021651	0	34	-1.0	-61.06	304.05	4.74	-56.32
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008021652	0	36	-1.0	-48.83	331.62	4.26	-44.57
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008021653	0	43	-1.0	-49.25	371.95	6.85	-42.40
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021654	0	37	-1.0	-50.40	320.61	5.05	-45.35
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008021655	0	39	-1.0	-47.56	344.05	5.36	-42.20
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021656	0	51	-1.0	-44.81	391.78	6.58	-38.23
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021657	0	37	-1.0	-49.10	334.68	0.40	-48.70
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300008021658	0	44	-1.0	-50.83	382.65	2.70	-48.13
CCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008021659	0	42	-1.0	-49.06	345.78	6.32	-42.74
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021660	0	39	-1.0	-59.50	332.52	4.99	-54.51
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008021661	0	34	-1.0	-60.57	305.87	3.95	-56.62
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008021662	0	36	-1.0	-52.62	318.65	4.90	-47.72
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021663	0	43	-1.0	-50.00	364.21	4.23	-45.77
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021664	0	45	-1.0	-47.61	376.54	6.15	-41.46
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008021665	0	39	-1.0	-46.51	308.23	6.26	-40.25
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008021666	0	35	-1.0	-47.51	305.83	5.56	-41.95
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008021667	0	33	-1.0	-43.57	317.08	5.03	-38.54
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008021668	0	37	-1.0	-57.85	321.17	5.04	-52.81
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008021669	0	35	-1.0	-50.77	296.73	0.06	-50.71
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008021670	0	34	-1.0	-52.88	305.65	3.94	-48.94
CCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C)=C1	REAL300008021671	0	39	-1.0	-45.15	319.65	4.63	-40.52
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021672	0	37	-1.0	-57.76	334.20	-0.05	-57.81
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008021673	0	33	-1.0	-46.99	294.92	4.04	-42.95
CSC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021674	0	33	-1.0	-48.09	300.89	4.59	-43.50
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008021675	0	35	-1.0	-47.96	320.27	5.49	-42.47
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021676	0	40	-1.0	-45.83	324.92	5.46	-40.37
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008021677	0	35	-1.0	-57.45	301.01	3.46	-53.99
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008021678	0	34	-1.0	-47.69	290.76	4.15	-43.54
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008021679	0	41	-1.0	-49.48	353.72	5.55	-43.93
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300008021680	0	35	-1.0	-48.64	315.27	5.12	-43.52
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008021681	0	35	-1.0	-52.49	330.48	4.54	-47.95
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008021682	0	38	-1.0	-46.84	322.30	5.35	-41.49
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C12	REAL300008021683	0	37	-1.0	-48.00	323.92	3.49	-44.51
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021684	0	36	-1.0	-48.89	326.17	4.38	-44.51
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])=C2O1	REAL300008021685	0	40	-1.0	-50.27	327.99	4.84	-45.43
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300008021686	0	32	-1.0	-46.92	294.81	4.93	-41.99
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300008021687	0	41	-1.0	-58.10	357.30	2.07	-56.03
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008021688	0	36	-1.0	-45.43	327.21	4.28	-41.15
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1Br	REAL300008021689	0	37	-1.0	-44.65	334.99	3.77	-40.88
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300008021690	0	42	-1.0	-52.52	378.62	5.96	-46.56
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008021691	0	37	-1.0	-55.52	315.05	4.39	-51.13
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008021692	0	32	-1.0	-48.77	308.26	5.37	-43.40
CC1CC2=CC(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])=CC=C2O1	REAL300008021693	0	37	-1.0	-48.27	314.47	4.39	-43.88
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021694	0	41	-1.0	-45.19	310.58	6.87	-38.32
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021695	0	41	-1.0	-43.31	343.64	2.43	-40.88
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008021696	0	40	-1.0	-48.35	366.10	6.92	-41.43
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008021697	0	35	-1.0	-48.33	324.55	4.48	-43.85
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008021698	0	35	-1.0	-52.36	340.80	4.99	-47.37
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C2)=CO1	REAL300008021699	0	38	-1.0	-54.30	333.77	2.82	-51.48
CN1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300008021700	0	32	-1.0	-40.37	297.38	2.43	-37.94
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008021701	0	37	-1.0	-48.07	311.21	4.38	-43.69
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=N2)C=C1	REAL300008021702	0	39	-1.0	-49.45	340.06	5.58	-43.87
CC1CC2=CC(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300008021703	0	37	-1.0	-49.12	331.25	4.87	-44.25
CC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008021704	0	34	-1.0	-44.20	301.73	4.95	-39.25
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=N1	REAL300008021705	0	40	-1.0	-53.02	345.79	4.56	-48.46
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008021706	0	31	-1.0	-50.01	289.59	3.26	-46.75
CC1=CC2=CC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C2C=C1	REAL300008021707	0	38	-1.0	-50.12	328.05	6.51	-43.61
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008021708	0	34	-1.0	-53.22	304.56	3.83	-49.39
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008021709	0	35	-1.0	-45.45	322.82	5.61	-39.84
CN1CCCC2=CC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C21	REAL300008021710	0	41	-1.0	-48.87	331.65	4.34	-44.53
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008021711	0	31	-1.0	-42.85	293.10	3.08	-39.77
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021712	0	37	-1.0	-54.63	309.27	4.34	-50.29
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021713	0	37	-1.0	-49.48	312.32	5.67	-43.81
CC1=CC=C(C)C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300008021714	0	37	-1.0	-47.43	312.57	7.00	-40.43
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008021715	0	37	-1.0	-39.94	312.86	5.69	-34.25
COC1=CC=C(CCS(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021716	0	39	-1.0	-47.75	335.59	4.39	-43.36
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])S1	REAL300008021717	0	38	-1.0	-46.32	331.11	5.43	-40.89
COC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC(OC)=C1	REAL300008021718	0	37	-1.0	-50.54	316.43	2.38	-48.16
CC1=CC2=C(C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-])OCO2	REAL300008021719	0	35	-1.0	-43.10	294.88	3.17	-39.93
COC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300008021720	0	33	-1.0	-45.22	302.88	3.63	-41.59
CN1C=NC2=CC(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])=CC=C21	REAL300008021721	0	35	-1.0	-58.78	305.87	5.12	-53.66
CC1=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008021722	0	37	-1.0	-53.33	312.23	5.56	-47.77
CC1=NC2=CC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C2O1	REAL300008021723	0	34	-1.0	-49.49	301.18	1.44	-48.05
CCC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1CC	REAL300008021724	0	41	-1.0	-48.87	334.60	6.35	-42.52
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021725	0	37	-1.0	-43.16	311.14	5.96	-37.20
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021726	0	39	-1.0	-52.46	316.22	5.37	-47.09
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021727	0	30	-1.0	-40.71	277.28	1.76	-38.95
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008021728	0	35	-1.0	-53.14	304.54	4.82	-48.32
CC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300008021729	0	35	-1.0	-45.39	304.42	5.12	-40.27
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008021730	0	36	-1.0	-56.33	316.82	3.35	-52.98
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008021731	0	42	-1.0	-46.82	358.29	5.33	-41.49
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300008021732	0	33	-1.0	-57.35	292.85	3.82	-53.53
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008021733	0	31	-1.0	-60.31	289.03	3.24	-57.07
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008021734	0	32	-1.0	-44.98	297.94	5.00	-39.98
CC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300008021735	0	32	-1.0	-45.13	292.95	4.87	-40.26
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008021736	0	35	-1.0	-58.43	305.65	4.77	-53.66
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C2)=N1	REAL300008021737	0	38	-1.0	-47.75	343.61	5.24	-42.51
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008021738	0	37	-1.0	-50.80	309.01	5.20	-45.60
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008021739	0	36	-1.0	-53.37	322.64	1.63	-51.74
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008021740	0	38	-1.0	-54.60	318.45	4.31	-50.29
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008021741	0	32	-1.0	-45.74	301.15	5.00	-40.74
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021742	0	54	-1.0	-47.57	441.03	8.50	-39.07
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021743	0	39	-1.0	-44.19	348.43	6.20	-37.99
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021744	0	42	-1.0	-46.88	347.57	5.45	-41.43
COC(CS(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-])C1CCCC1	REAL300008021745	0	42	-1.0	-48.08	331.46	3.87	-44.21
COC(CS(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-])C1CCCCC1	REAL300008021746	0	45	-1.0	-47.61	347.18	5.17	-42.44
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008021747	0	43	-1.0	-51.42	374.86	7.12	-44.30
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008021748	0	48	-1.0	-47.16	392.15	6.63	-40.53
CCC1=NC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300008021749	0	42	-1.0	-57.88	352.20	5.58	-52.30
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008021750	0	32	-1.0	-47.64	297.86	3.29	-44.35
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008021751	0	37	-1.0	-50.78	317.16	5.96	-44.82
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008021752	0	42	-1.0	-46.65	354.27	5.95	-40.70
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021753	0	32	-1.0	-42.76	299.46	2.41	-40.35
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008021754	0	40	-1.0	-46.82	358.14	7.88	-38.94
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008021755	0	39	-1.0	-52.54	321.07	7.09	-45.45
CC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300008021756	0	49	-1.0	-47.98	410.53	8.56	-39.42
CCC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C(C)C=C1OC	REAL300008021757	0	42	-1.0	-44.13	339.91	5.29	-38.84
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008021758	0	35	-1.0	-44.06	328.59	5.64	-38.42
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=N1	REAL300008021759	1	31	-1.0	-52.85	284.59	2.45	-50.40
CC1=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008021760	0	38	-1.0	-52.09	308.90	6.92	-45.17
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=N1	REAL300008021761	0	38	-1.0	-47.87	326.77	2.33	-45.54
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021762	0	33	-1.0	-51.45	290.16	4.25	-47.20
CCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008021763	0	45	-1.0	-47.38	370.65	5.83	-41.55
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1F	REAL300008021764	0	41	-1.0	-49.14	338.93	5.83	-43.31
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008021765	0	48	-1.0	-46.83	383.06	8.29	-38.54
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021766	0	39	-1.0	-48.16	314.23	3.77	-44.39
CN1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300008021767	0	41	-1.0	-44.87	323.69	3.42	-41.45
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008021768	0	39	-1.0	-50.01	325.53	4.15	-45.86
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021769	0	32	-1.0	-46.59	284.56	2.53	-44.06
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021770	0	36	-1.0	-49.43	315.84	3.93	-45.50
C=CCCC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021771	0	39	-1.0	-47.45	337.91	6.36	-41.09
CCCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008021772	0	51	-1.0	-47.01	413.65	7.41	-39.60
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008021773	0	33	-1.0	-46.80	306.68	5.50	-41.30
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300008021774	0	51	-1.0	-47.17	401.51	7.47	-39.70
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1CC	REAL300008021775	0	45	-1.0	-48.34	372.11	6.29	-42.05
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021776	0	35	-1.0	-43.53	300.37	5.84	-37.69
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021777	0	35	-1.0	-45.00	316.84	5.75	-39.25
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008021778	0	33	-1.0	-48.37	304.25	5.40	-42.97
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021779	0	45	-1.0	-48.15	376.14	6.40	-41.75
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008021780	0	34	-1.0	-54.41	290.60	4.16	-50.25
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300008021781	0	44	-1.0	-48.09	391.30	7.51	-40.58
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008021782	0	39	-1.0	-46.32	322.63	4.26	-42.06
CC1(C)COC2=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=NN2C1	REAL300008021783	0	40	-1.0	-51.82	326.61	1.92	-49.90
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008021784	0	35	-1.0	-49.55	324.94	4.70	-44.85
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008021785	0	54	-1.0	-46.96	435.15	8.19	-38.77
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C	REAL300008021786	0	45	-1.0	-49.46	356.96	5.55	-43.91
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021787	0	39	-1.0	-57.70	335.48	5.04	-52.66
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008021788	0	52	-1.0	-50.14	426.14	6.05	-44.09
CC1CC2=CC=CC(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])=C2O1	REAL300008021789	0	37	-1.0	-52.89	315.06	4.42	-48.47
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])S1	REAL300008021790	0	37	-1.0	-47.82	330.05	3.28	-44.54
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008021791	0	35	-1.0	-51.11	307.06	4.28	-46.83
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021792	0	34	-1.0	-58.72	303.12	3.20	-55.52
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300008021793	0	33	-1.0	-51.00	314.65	4.10	-46.90
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008021794	0	32	-1.0	-48.25	296.83	5.21	-43.04
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C)=C1F	REAL300008021795	0	38	-1.0	-42.56	308.47	6.03	-36.53
COC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1OC	REAL300008021796	0	37	-1.0	-53.19	312.94	3.92	-49.27
CN1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300008021797	0	42	-1.0	-49.28	341.13	4.56	-44.72
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021798	0	41	-1.0	-51.98	333.61	4.29	-47.69
CCCCN1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C)=N1	REAL300008021799	0	41	-1.0	-49.18	347.53	4.22	-44.96
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008021800	0	33	-1.0	-48.34	299.94	3.15	-45.19
CN1N=NC2=C(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=CC=C21	REAL300008021801	0	34	-1.0	-62.84	300.59	2.30	-60.54
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1Br	REAL300008021802	0	35	-1.0	-41.24	307.79	5.60	-35.64
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008021803	0	35	-1.0	-46.16	326.28	4.94	-41.22
CN1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300008021804	0	39	-1.0	-49.82	327.29	4.11	-45.71
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021805	0	47	-1.0	-48.29	366.11	6.95	-41.34
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008021806	0	35	-1.0	-43.29	328.80	5.66	-37.63
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008021807	0	39	-1.0	-46.63	332.06	4.43	-42.20
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008021808	0	33	-1.0	-44.56	291.30	4.31	-40.25
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008021809	0	40	-1.0	-57.38	356.39	6.62	-50.76
COC1=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008021810	0	38	-1.0	-62.79	320.74	5.01	-57.78
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021811	0	38	-1.0	-46.19	302.31	3.23	-42.96
CC(C)(C)N1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=N1	REAL300008021812	0	38	-1.0	-47.78	322.58	3.51	-44.27
CC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300008021813	0	34	-1.0	-43.16	308.56	3.58	-39.58
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008021814	0	32	-1.0	-42.67	303.06	4.86	-37.81
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021815	0	40	-1.0	-58.46	342.14	5.81	-52.65
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008021816	0	40	-1.0	-48.07	326.73	6.88	-41.19
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008021817	0	35	-1.0	-46.20	320.45	4.83	-41.37
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300008021818	0	36	-1.0	-48.70	310.52	2.12	-46.58
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021819	0	39	-1.0	-46.20	353.60	4.55	-41.65
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008021820	0	29	-1.0	-42.80	274.82	3.68	-39.12
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008021821	0	39	-1.0	-47.36	322.92	4.39	-42.97
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021822	0	38	-1.0	-46.71	311.76	3.42	-43.29
CN(C1CCCCCC1)S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021823	0	43	-1.0	-55.02	327.14	4.49	-50.53
CN1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300008021824	0	43	-1.0	-46.88	350.02	2.76	-44.12
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021825	0	35	-1.0	-51.26	310.78	5.31	-45.95
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008021826	0	33	-1.0	-48.17	296.79	3.36	-44.81
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008021827	0	44	-1.0	-54.59	355.18	6.21	-48.38
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300008021828	0	40	-1.0	-53.89	328.92	6.13	-47.76
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008021829	0	37	-1.0	-47.72	312.26	3.81	-43.91
CCOCC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021830	0	39	-1.0	-52.43	334.46	4.47	-47.96
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008021831	0	32	-1.0	-49.37	317.31	5.80	-43.57
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021832	0	39	-1.0	-50.07	333.06	4.93	-45.14
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008021833	0	42	-1.0	-50.10	344.44	4.74	-45.36
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008021834	0	40	-1.0	-48.38	349.38	6.41	-41.97
CC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300008021835	0	35	-1.0	-45.65	315.09	5.53	-40.12
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008021836	0	32	-1.0	-49.37	317.31	5.80	-43.57
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008021837	0	38	-1.0	-50.21	313.18	6.56	-43.65
CN1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008021838	0	39	-1.0	-47.02	334.59	4.93	-42.09
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008021839	0	33	-1.0	-46.76	311.25	5.61	-41.15
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008021840	0	33	-1.0	-45.11	311.32	5.59	-39.52
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300008021841	0	34	-1.0	-48.13	300.95	-2.30	-50.43
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008021842	0	31	-1.0	-52.62	291.78	2.99	-49.63
CC1=NC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008021843	0	38	-1.0	-56.36	331.18	2.70	-53.66
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008021844	0	46	-1.0	-46.07	334.31	6.64	-39.43
CS(=O)(=O)CCCCS(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021845	0	37	-1.0	-57.23	327.99	0.60	-56.63
CC1(C)CCC(CS(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])OC1	REAL300008021846	0	42	-1.0	-48.42	331.58	4.13	-44.29
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008021847	0	33	-1.0	-49.39	305.43	2.80	-46.59
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008021848	0	39	-1.0	-48.21	339.26	6.62	-41.59
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008021849	0	38	-1.0	-48.99	309.79	1.22	-47.77
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008021850	0	42	-1.0	-45.64	324.99	5.76	-39.88
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008021851	0	33	-1.0	-46.20	305.18	4.94	-41.26
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])=CC=C21	REAL300008021852	0	51	-1.0	-50.09	387.11	7.95	-42.14
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021853	0	40	-1.0	-46.37	331.89	4.80	-41.57
COC1=CSC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1OC	REAL300008021854	0	34	-1.0	-46.48	308.85	1.70	-44.78
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008021855	0	41	-1.0	-45.91	316.13	4.17	-41.74
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021856	0	40	-1.0	-46.31	329.98	5.44	-40.87
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008021857	0	33	-1.0	-46.19	301.55	4.07	-42.12
COC1=CC(F)=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(F)=C1	REAL300008021858	0	33	-1.0	-49.11	293.80	3.33	-45.78
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008021859	0	33	-1.0	-51.60	302.86	3.41	-48.19
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021860	0	35	-1.0	-49.30	301.47	3.70	-45.60
CN1C=CC2=CC(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)[O-])=CC=C21	REAL300008021861	0	36	-1.0	-53.88	311.31	5.55	-48.33
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008021862	0	38	-1.0	-48.74	336.39	4.27	-44.47
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021863	0	42	-1.0	-51.46	351.90	5.91	-45.55
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008021864	0	40	-1.0	-47.36	346.25	6.63	-40.73
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021865	0	35	-1.0	-53.30	292.16	5.19	-48.11
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008021866	0	30	-1.0	-48.72	297.47	2.72	-46.00
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021867	0	40	-1.0	-47.58	341.21	5.40	-42.18
CCN1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300008021868	0	39	-1.0	-50.49	332.64	4.40	-46.09
CC1=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300008021869	0	33	-1.0	-46.50	299.40	3.00	-43.50
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008021870	0	35	-1.0	-46.81	320.09	6.54	-40.27
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008021871	0	39	-1.0	-47.53	351.75	7.52	-40.01
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008021872	0	28	-1.0	-42.59	288.67	1.60	-40.99
CCC1=CC(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC=C1Br	REAL300008021873	0	35	-1.0	-45.11	319.88	5.47	-39.64
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021874	0	42	-1.0	-47.18	340.29	4.66	-42.52
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021875	0	43	-1.0	-60.17	363.01	4.10	-56.07
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008021876	0	35	-1.0	-49.27	312.84	6.53	-42.74
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021877	0	37	-1.0	-48.06	305.70	1.38	-46.68
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300008021878	0	35	-1.0	-48.75	325.65	3.43	-45.32
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008021879	0	44	-1.0	-46.84	359.26	4.15	-42.69
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021880	0	32	-1.0	-53.33	300.89	1.49	-51.84
COC1=NC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1C	REAL300008021881	0	35	-1.0	-45.85	304.87	1.17	-44.68
CC(C)CN1C=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=N1	REAL300008021882	0	38	-1.0	-51.99	325.42	3.90	-48.09
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021883	0	38	-1.0	-48.59	323.23	3.19	-45.40
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008021884	0	39	-1.0	-47.58	320.28	1.57	-46.01
COCC1=CC(CS(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=NO1	REAL300008021885	0	35	-1.0	-48.53	311.80	1.64	-46.89
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008021886	0	34	-1.0	-51.44	308.77	5.46	-45.98
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])N=C1	REAL300008021887	0	40	-1.0	-53.14	329.72	4.18	-48.96
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008021888	0	36	-1.0	-50.78	306.28	4.95	-45.83
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008021889	0	31	-1.0	-51.29	285.52	2.71	-48.58
CC1=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300008021890	0	38	-1.0	-43.17	318.22	3.52	-39.65
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300008021891	0	43	-1.0	-48.01	367.87	7.41	-40.60
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008021892	0	34	-1.0	-51.06	297.94	4.11	-46.95
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)N1CC=C(Br)CC1	REAL300008021893	0	32	-1.0	-43.34	288.52	3.45	-39.89
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021894	0	37	-1.0	-53.16	312.89	-0.47	-53.63
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(C(F)F)=C1	REAL300008021895	0	36	-1.0	-49.69	304.85	3.97	-45.72
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021896	0	35	-1.0	-43.79	321.66	2.15	-41.64
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008021897	0	34	-1.0	-47.14	291.41	4.13	-43.01
CCOC1=CC=CN=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021898	0	35	-1.0	-56.48	300.19	3.10	-53.38
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300008021899	0	37	-1.0	-64.08	315.95	4.99	-59.09
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008021900	0	31	-1.0	-54.07	287.75	2.81	-51.26
O=C([O-])[C@@H]1CC[C@@H]1NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008021901	0	36	-1.0	-50.93	331.99	4.49	-46.44
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300008021902	0	42	-1.0	-60.45	350.44	5.65	-54.80
CCCC(NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300008021903	0	43	-1.0	-53.37	355.44	6.38	-46.99
CCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300008021904	0	38	-1.0	-44.23	309.33	4.58	-39.65
CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300008021905	0	34	-1.0	-55.15	310.48	5.21	-49.94
CCCC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300008021906	0	35	-1.0	-42.81	303.29	4.04	-38.77
CCCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008021907	0	37	-1.0	-59.03	337.45	1.31	-57.72
CCCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300008021908	0	35	-1.0	-49.53	322.76	3.58	-45.95
CCCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300008021909	0	42	-1.0	-56.28	347.47	3.80	-52.48
CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300008021910	0	34	-1.0	-51.53	305.63	5.11	-46.42
CCCC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008021911	0	47	-1.0	-53.09	378.65	7.58	-45.51
CCCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300008021912	0	37	-1.0	-56.35	321.48	2.93	-53.42
CCCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300008021913	0	31	-1.0	-42.83	293.47	4.55	-38.28
CCCC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008021914	0	31	-1.0	-40.91	298.75	4.49	-36.42
CCCC(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008021915	0	36	-1.0	-48.55	310.52	6.13	-42.42
CCCC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008021916	0	37	-1.0	-41.00	335.03	5.77	-35.23
CCCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300008021917	0	41	-1.0	-65.77	360.18	0.32	-65.45
CCCC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300008021918	0	42	-1.0	-52.09	359.36	5.62	-46.47
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300008021919	0	37	-1.0	-53.25	323.29	4.32	-48.93
CCCC(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300008021920	0	38	-1.0	-54.66	332.07	3.50	-51.16
CCCC(NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300008021921	0	37	-1.0	-42.16	324.58	1.44	-40.72
CCCC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008021922	0	40	-1.0	-66.83	362.05	1.97	-64.86
CCCC(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300008021923	0	36	-1.0	-47.84	322.02	-0.21	-48.05
CCCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300008021924	0	41	-1.0	-54.60	334.71	4.51	-50.09
CCCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300008021925	0	36	-1.0	-45.84	334.19	4.28	-41.56
CCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008021926	0	34	-1.0	-55.78	321.92	5.08	-50.70
CCCC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300008021927	0	36	-1.0	-46.29	316.51	4.19	-42.10
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1	REAL300008021928	0	48	-1.0	-59.50	414.80	2.97	-56.53
CCCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300008021929	0	40	-1.0	-50.67	346.20	5.01	-45.66
CCCC(NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300008021930	0	40	-1.0	-51.08	333.69	3.64	-47.44
CCCC(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300008021931	0	40	-1.0	-62.42	342.53	5.07	-57.35
CCCC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300008021932	0	43	-1.0	-44.58	323.63	6.54	-38.04
CCCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300008021933	0	44	-1.0	-58.42	379.11	6.65	-51.77
CCCC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300008021934	0	39	-1.0	-68.35	343.18	3.19	-65.16
CCCC(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300008021935	0	37	-1.0	-51.69	344.78	4.93	-46.76
CCCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300008021936	0	39	-1.0	-43.04	344.34	3.50	-39.54
CCCC(NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300008021937	0	39	-1.0	-41.69	339.47	3.60	-38.09
CCCC(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300008021938	0	34	-1.0	-54.26	316.48	4.94	-49.32
CCCC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300008021939	0	37	-1.0	-52.98	330.73	6.49	-46.49
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300008021940	0	36	-1.0	-50.72	322.79	5.24	-45.48
CCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300008021941	0	35	-1.0	-51.76	322.20	3.43	-48.33
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300008021942	0	38	-1.0	-53.61	341.09	5.16	-48.45
CCCC(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300008021943	0	46	-1.0	-54.68	367.36	4.73	-49.95
CCCC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300008021944	0	34	-1.0	-52.82	308.97	4.66	-48.16
CCCC(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300008021945	0	42	-1.0	-46.39	344.90	3.35	-43.04
CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008021948	0	35	-1.0	-40.75	296.02	3.70	-37.05
CCCC(NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008021949	0	36	-1.0	-42.92	342.55	5.65	-37.27
CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300008021950	0	42	-1.0	-43.44	341.23	4.67	-38.77
CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300008021951	0	42	-1.0	-56.53	368.60	0.75	-55.78
CCCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008021952	0	49	-1.0	-52.63	363.78	5.44	-47.19
CCCC(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300008021953	0	39	-1.0	-50.71	321.86	5.43	-45.28
CCCC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008021954	0	39	-1.0	-52.63	341.29	5.71	-46.92
CCCC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008021955	0	42	-1.0	-45.03	352.70	2.35	-42.68
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300008021956	0	45	-1.0	-42.08	379.22	5.09	-36.99
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300008021957	0	45	-1.0	-43.70	381.32	5.07	-38.63
CCCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300008021958	0	47	-1.0	-40.48	377.19	5.16	-35.32
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300008021959	0	46	-1.0	-41.23	383.34	5.16	-36.07
CCCC(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008021960	0	38	-1.0	-42.96	346.02	4.15	-38.81
CCCC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008021961	0	39	-1.0	-51.45	335.52	1.54	-49.91
CCCC(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300008021962	0	35	-1.0	-43.32	328.59	3.76	-39.56
CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008021963	0	35	-1.0	-39.50	301.36	4.16	-35.34
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300008021964	0	37	-1.0	-49.82	332.26	4.53	-45.29
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300008021965	0	37	-1.0	-50.74	327.16	5.45	-45.29
CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300008021966	0	37	-1.0	-56.01	328.25	5.60	-50.41
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008021967	0	37	-1.0	-49.72	331.17	5.30	-44.42
CCCC(NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300008021968	0	38	-1.0	-44.95	328.80	4.09	-40.86
CCCC(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300008021969	0	38	-1.0	-44.94	335.29	1.43	-43.51
CCCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008021970	0	38	-1.0	-58.33	341.09	4.33	-54.00
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(CCC)C(=O)[O-])=C1C	REAL300008021971	0	58	-1.0	-54.46	462.32	8.26	-46.20
CCCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300008021972	0	45	-1.0	-53.97	397.21	2.21	-51.76
CCCC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008021973	0	39	-1.0	-57.92	350.10	5.95	-51.97
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008021974	0	36	-1.0	-48.37	316.72	4.17	-44.20
CCCC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008021975	0	34	-1.0	-42.72	321.42	5.14	-37.58
CCCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008021976	0	34	-1.0	-55.69	317.41	5.04	-50.65
CCCC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008021977	0	38	-1.0	-65.14	341.65	1.63	-63.51
CCCC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300008021978	0	34	-1.0	-43.06	320.51	5.12	-37.94
CCCC(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300008021979	0	34	-1.0	-51.41	306.72	5.11	-46.30
CCCC(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300008021980	0	38	-1.0	-42.90	317.17	3.75	-39.15
CCCC(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300008021981	0	35	-1.0	-49.98	326.65	3.76	-46.22
CCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300008021982	0	39	-1.0	-41.53	333.37	3.80	-37.73
CCCC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008021983	0	34	-1.0	-47.55	321.76	2.90	-44.65
CCCC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008021984	0	34	-1.0	-46.40	313.47	2.71	-43.69
CCCC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008021985	0	42	-1.0	-45.65	355.24	5.09	-40.56
CCCC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008021986	0	34	-1.0	-48.10	304.77	3.18	-44.92
CCCC(NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300008021987	0	34	-1.0	-53.84	322.09	5.41	-48.43
CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300008021988	0	43	-1.0	-57.61	380.69	2.99	-54.62
CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C(=O)[O-]	REAL300008021989	0	48	-1.0	-55.20	413.55	3.50	-51.70
CCCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300008021990	0	35	-1.0	-57.87	310.53	4.81	-53.06
CCCC(NS(=O)(=O)C1=CC=C(CNS(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300008021991	0	48	-1.0	-64.27	419.68	2.30	-61.97
CCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008021992	0	39	-1.0	-55.53	355.68	0.56	-54.97
CCCC(NS(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1)C(=O)[O-]	REAL300008021993	0	45	-1.0	-60.64	412.79	1.44	-59.20
CCCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC)C(=O)[O-]	REAL300008021994	0	46	-1.0	-62.71	399.83	1.30	-61.41
CCCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300008021995	0	45	-1.0	-57.05	399.13	2.25	-54.80
CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008021996	0	42	-1.0	-50.37	349.37	4.09	-46.28
CCCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C(F)=C1)C(=O)[O-]	REAL300008021997	0	45	-1.0	-54.51	398.89	2.22	-52.29
CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300008021998	0	46	-1.0	-68.14	371.60	4.22	-63.92
CCCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300008021999	0	42	-1.0	-54.74	377.39	1.44	-53.30
CCCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008022000	0	46	-1.0	-56.95	390.49	4.22	-52.73
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022465	0	35	-1.0	-43.10	304.51	3.47	-39.63
CC1=C(Br)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008022466	0	36	-1.0	-47.20	331.66	5.27	-41.93
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022467	0	42	-1.0	-61.45	361.91	3.71	-57.74
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300008022468	0	42	-1.0	-56.94	364.70	0.52	-56.42
CC(C)[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008022469	0	49	-1.0	-53.17	354.49	5.10	-48.07
CC1=NC2=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300008022470	0	39	-1.0	-53.60	335.11	4.87	-48.73
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022471	0	39	-1.0	-60.54	337.46	5.41	-55.13
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008022472	0	42	-1.0	-55.21	350.83	2.09	-53.12
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022473	0	45	-1.0	-46.13	395.66	4.71	-41.42
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022474	0	45	-1.0	-59.80	387.04	4.76	-55.04
COCCOCCOCCS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022475	0	45	-1.0	-57.68	381.18	0.84	-56.84
CC(COC1CCCC1)CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022476	0	47	-1.0	-57.69	373.53	4.89	-52.80
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300008022477	0	46	-1.0	-43.53	392.86	4.99	-38.54
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022478	0	38	-1.0	-51.89	335.45	3.78	-48.11
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008022479	0	39	-1.0	-51.97	326.35	1.21	-50.76
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022480	0	35	-1.0	-52.13	317.63	3.39	-48.74
CC(C)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008022481	0	35	-1.0	-44.16	318.06	3.74	-40.42
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300008022482	0	37	-1.0	-50.14	323.03	4.18	-45.96
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022483	0	37	-1.0	-50.62	321.45	5.41	-45.21
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022484	0	37	-1.0	-55.96	322.08	5.40	-50.56
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300008022485	0	37	-1.0	-49.74	321.31	4.98	-44.76
CC(C)[C@@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300008022486	0	43	-1.0	-56.87	344.47	0.50	-56.37
CCOC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022487	0	38	-1.0	-53.82	318.22	3.70	-50.12
COCCN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300008022488	0	38	-1.0	-51.16	331.45	1.15	-50.01
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008022489	0	38	-1.0	-56.35	331.89	3.99	-52.36
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300008022490	0	58	-1.0	-54.08	452.17	7.96	-46.12
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300008022491	0	45	-1.0	-54.34	377.93	1.40	-52.94
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008022492	0	39	-1.0	-57.71	344.27	5.70	-52.01
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008022493	0	36	-1.0	-52.94	308.71	3.81	-49.13
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008022494	0	34	-1.0	-57.58	311.78	4.80	-52.78
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008022495	0	34	-1.0	-55.43	311.26	4.80	-50.63
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008022496	0	38	-1.0	-65.05	335.57	1.38	-63.67
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022497	0	34	-1.0	-51.43	315.57	4.83	-46.60
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022498	0	34	-1.0	-52.23	302.41	4.66	-47.57
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022499	0	38	-1.0	-53.72	315.64	3.52	-50.20
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300008022500	0	35	-1.0	-50.77	317.42	3.41	-47.36
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300008022501	0	39	-1.0	-57.38	344.72	3.30	-54.08
CC(C)[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008022502	0	34	-1.0	-53.27	317.57	2.63	-50.64
CC(C)[C@@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008022503	0	34	-1.0	-55.30	310.86	2.39	-52.91
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008022504	0	42	-1.0	-53.13	348.40	4.78	-48.35
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008022505	0	34	-1.0	-45.57	306.17	2.60	-42.97
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022506	0	42	-1.0	-59.71	320.14	1.32	-58.39
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1I	REAL300008022507	0	34	-1.0	-51.62	312.88	5.07	-46.55
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022508	0	43	-1.0	-57.32	370.52	2.69	-54.63
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022509	0	48	-1.0	-55.76	404.32	3.15	-52.61
CSC1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022510	0	35	-1.0	-58.44	304.76	4.59	-53.85
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022511	0	48	-1.0	-64.17	413.83	2.03	-62.14
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008022512	0	39	-1.0	-55.58	345.82	0.25	-55.33
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300008022513	0	45	-1.0	-60.53	402.92	1.13	-59.40
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(OC)=C1	REAL300008022514	0	46	-1.0	-48.51	396.46	0.90	-47.61
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300008022515	0	45	-1.0	-50.94	387.51	1.97	-48.97
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022516	0	45	-1.0	-55.49	386.68	1.24	-54.25
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008022517	0	42	-1.0	-63.28	338.37	2.89	-60.39
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300008022518	0	45	-1.0	-54.30	388.77	1.93	-52.37
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300008022519	0	46	-1.0	-68.89	369.52	4.00	-64.89
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300008022520	0	42	-1.0	-55.42	367.93	1.11	-54.31
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008022521	0	46	-1.0	-56.77	384.67	3.96	-52.81
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008022522	0	43	-1.0	-56.03	359.86	3.47	-52.56
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022523	0	40	-1.0	-62.60	349.03	1.89	-60.71
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022524	0	41	-1.0	-66.86	357.01	0.82	-66.04
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Br	REAL300008022525	0	38	-1.0	-53.96	342.68	4.41	-49.55
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300008022526	0	45	-1.0	-56.62	379.09	6.58	-50.04
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008022527	0	35	-1.0	-42.44	324.52	4.20	-38.24
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008022528	0	37	-1.0	-52.34	351.38	1.65	-50.69
COC1=CC=C(Br)C(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022529	0	38	-1.0	-57.79	337.34	4.03	-53.76
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008022530	0	45	-1.0	-52.65	379.83	5.42	-47.23
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022531	0	38	-1.0	-58.11	340.47	4.59	-53.52
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300008022532	0	43	-1.0	-55.16	363.53	5.07	-50.09
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022533	0	38	-1.0	-60.72	331.25	-1.81	-62.53
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300008022534	0	37	-1.0	-51.83	325.15	4.67	-47.16
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008022535	0	34	-1.0	-52.09	327.12	5.49	-46.60
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300008022536	0	37	-1.0	-57.69	336.10	6.36	-51.33
CC(C)[C@@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008022537	0	34	-1.0	-52.44	322.04	5.35	-47.09
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008022538	0	37	-1.0	-58.12	328.70	6.31	-51.81
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008022539	0	37	-1.0	-55.26	331.92	5.30	-49.96
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008022540	0	42	-1.0	-58.01	353.86	4.86	-53.15
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008022541	0	45	-1.0	-43.28	380.74	6.91	-36.37
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008022542	0	44	-1.0	-57.29	378.34	5.09	-52.20
CC(C)[C@@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008022543	0	42	-1.0	-60.61	367.40	0.51	-60.10
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300008022544	0	40	-1.0	-51.53	332.22	6.37	-45.16
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1N(C)C	REAL300008022545	0	42	-1.0	-52.62	345.82	4.19	-48.43
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008022546	0	37	-1.0	-57.82	328.86	5.38	-52.44
CC(C)[C@@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008022547	0	36	-1.0	-58.28	302.21	0.57	-57.71
CC(C)[C@@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008022548	0	44	-1.0	-53.34	351.47	3.95	-49.39
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300008022549	0	38	-1.0	-56.38	329.62	4.01	-52.37
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008022550	0	40	-1.0	-70.05	351.19	1.70	-68.35
CSC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300008022551	0	35	-1.0	-50.49	322.06	4.94	-45.55
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022552	0	43	-1.0	-51.73	343.75	4.00	-47.73
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008022553	0	39	-1.0	-47.98	342.14	2.09	-45.89
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C12	REAL300008022554	0	38	-1.0	-48.70	334.09	1.25	-47.45
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008022555	0	42	-1.0	-51.82	364.11	3.24	-48.58
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300008022556	0	36	-1.0	-50.80	315.30	2.64	-48.16
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300008022557	0	37	-1.0	-53.06	334.68	6.32	-46.74
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(CC)=C1	REAL300008022558	0	49	-1.0	-52.62	365.63	8.07	-44.55
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022559	1	46	-1.0	-66.12	388.24	0.70	-65.42
CC(C)[C@@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300008022560	0	38	-1.0	-64.72	319.84	3.61	-61.11
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008022561	0	37	-1.0	-50.14	339.58	1.58	-48.56
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008022562	0	40	-1.0	-65.75	335.55	7.24	-58.51
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1F	REAL300008022563	0	38	-1.0	-52.16	318.93	3.62	-48.54
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008022564	0	40	-1.0	-55.05	329.84	4.96	-50.09
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008022566	0	39	-1.0	-50.68	340.47	4.78	-45.90
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022567	0	38	-1.0	-52.69	344.62	3.77	-48.92
CC1=CC=C(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300008022568	0	37	-1.0	-60.32	321.26	4.95	-55.37
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008022570	0	31	-1.0	-51.73	306.14	3.74	-47.99
CC(C)[C@@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008022571	0	44	-1.0	-57.89	356.15	6.73	-51.16
CC(C)[C@@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008022572	0	42	-1.0	-56.26	352.67	4.26	-52.00
CC(C)[C@@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008022573	0	40	-1.0	-66.67	328.53	0.61	-66.06
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008022574	0	34	-1.0	-53.78	310.25	4.04	-49.74
CC1=C(CCS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)SC=N1	REAL300008022575	0	36	-1.0	-56.35	321.94	2.75	-53.60
COC1=CC=C2C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CCC2=C1	REAL300008022576	0	43	-1.0	-54.84	358.00	5.29	-49.55
CC(C)[C@@H](NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300008022577	0	44	-1.0	-57.85	330.13	5.52	-52.33
CC(C)[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008022578	0	42	-1.0	-69.96	345.95	0.63	-69.33
CC(C)[C@@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300008022579	0	40	-1.0	-53.55	324.20	4.69	-48.86
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C12	REAL300008022580	0	46	-1.0	-53.11	396.25	6.80	-46.31
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C12	REAL300008022581	0	50	-1.0	-51.68	414.34	4.30	-47.38
CCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008022582	0	39	-1.0	-58.98	333.34	5.37	-53.61
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008022583	0	31	-1.0	-50.30	288.16	4.10	-46.20
CC(C)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008022584	0	33	-1.0	-48.98	299.15	4.19	-44.79
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300008022585	0	37	-1.0	-55.76	318.74	5.81	-49.95
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008022586	0	33	-1.0	-58.68	299.15	4.19	-54.49
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022587	0	36	-1.0	-60.61	313.02	5.01	-55.60
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022588	0	33	-1.0	-59.33	285.41	4.99	-54.34
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022589	0	38	-1.0	-42.91	341.10	4.95	-37.96
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022590	0	38	-1.0	-53.37	324.18	3.76	-49.61
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300008022591	0	43	-1.0	-53.46	328.28	6.06	-47.40
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022592	0	46	-1.0	-56.87	359.55	6.72	-50.15
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008022593	0	34	-1.0	-51.46	311.57	4.54	-46.92
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008022594	0	34	-1.0	-59.65	288.83	4.35	-55.30
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008022595	0	37	-1.0	-52.24	323.04	4.18	-48.06
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300008022596	0	43	-1.0	-53.74	343.74	5.77	-47.97
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022597	0	48	-1.0	-54.51	407.69	3.24	-51.27
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008022598	0	42	-1.0	-55.71	363.11	1.45	-54.26
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Br	REAL300008022599	0	35	-1.0	-51.65	322.74	3.51	-48.14
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008022600	0	37	-1.0	-48.13	348.75	5.53	-42.60
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300008022601	0	34	-1.0	-50.40	306.38	4.66	-45.74
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)=C1	REAL300008022602	0	45	-1.0	-52.18	376.99	6.99	-45.19
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008022603	0	35	-1.0	-50.64	312.85	3.26	-47.38
CC1=C(C)C(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1C	REAL300008022604	0	46	-1.0	-54.65	346.64	6.61	-48.04
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008022605	0	40	-1.0	-55.98	330.34	3.38	-52.60
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022606	0	47	-1.0	-58.73	372.51	5.63	-53.10
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300008022607	0	38	-1.0	-55.83	342.27	5.84	-49.99
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008022608	0	36	-1.0	-58.94	311.06	4.66	-54.28
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022609	0	35	-1.0	-42.76	319.37	4.04	-38.72
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022610	0	49	-1.0	-53.40	375.08	7.38	-46.02
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008022611	0	34	-1.0	-49.88	305.63	4.47	-45.41
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300008022612	0	41	-1.0	-53.89	329.62	5.96	-47.93
COC1=CC=C(OC)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022613	0	39	-1.0	-60.32	325.82	2.59	-57.73
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OC	REAL300008022614	0	39	-1.0	-52.92	329.64	2.72	-50.20
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300008022615	0	39	-1.0	-54.66	323.21	5.89	-48.77
CC(C)CCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022616	0	46	-1.0	-53.41	374.37	7.03	-46.38
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OCC	REAL300008022617	0	45	-1.0	-55.19	375.27	4.58	-50.61
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008022618	0	36	-1.0	-57.59	327.08	-1.51	-59.10
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1C	REAL300008022619	0	39	-1.0	-50.31	332.58	5.25	-45.06
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300008022620	0	39	-1.0	-58.90	330.33	5.53	-53.37
CC1=CC2=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C2N=C1	REAL300008022621	0	39	-1.0	-60.95	332.21	4.95	-56.00
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300008022622	0	37	-1.0	-55.49	314.87	4.31	-51.18
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022623	0	35	-1.0	-42.08	310.52	3.86	-38.22
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008022624	0	36	-1.0	-61.28	321.11	-1.57	-62.85
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008022625	0	43	-1.0	-56.72	376.54	1.29	-55.43
CC(C)[C@@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300008022626	0	39	-1.0	-55.90	332.81	4.92	-50.98
CC(C)[C@@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300008022627	0	40	-1.0	-52.23	320.74	4.61	-47.62
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300008022628	0	39	-1.0	-54.95	324.23	4.82	-50.13
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300008022629	0	39	-1.0	-58.97	325.51	6.19	-52.78
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008022630	0	42	-1.0	-60.90	363.04	1.44	-59.46
CC(C)[C@@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008022631	0	43	-1.0	-66.27	357.71	2.88	-63.39
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008022632	0	37	-1.0	-63.14	331.63	1.04	-62.10
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008022633	0	41	-1.0	-57.33	337.53	7.31	-50.02
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008022634	0	37	-1.0	-58.00	311.97	5.81	-52.19
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008022635	0	41	-1.0	-54.21	341.06	6.88	-47.33
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008022636	0	45	-1.0	-54.47	363.58	5.65	-48.82
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008022637	0	32	-1.0	-56.43	298.12	1.91	-54.52
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022638	0	35	-1.0	-42.70	314.84	3.92	-38.78
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022639	0	46	-1.0	-54.18	363.28	6.32	-47.86
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300008022640	0	34	-1.0	-51.03	302.33	4.58	-46.45
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022641	0	41	-1.0	-53.16	336.14	4.32	-48.84
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008022642	0	34	-1.0	-57.66	307.22	4.70	-52.96
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022643	0	36	-1.0	-51.37	323.97	5.99	-45.38
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008022644	0	36	-1.0	-50.53	308.79	4.20	-46.33
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008022645	0	42	-1.0	-54.64	373.03	6.84	-47.80
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022646	0	37	-1.0	-42.01	324.81	4.02	-37.99
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300008022647	0	35	-1.0	-51.74	308.55	2.92	-48.82
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008022648	0	42	-1.0	-52.18	372.93	6.81	-45.37
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)C=C1	REAL300008022649	0	46	-1.0	-53.00	385.71	5.58	-47.42
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300008022650	0	58	-1.0	-54.01	430.76	9.28	-44.73
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008022651	0	47	-1.0	-56.13	378.32	6.77	-49.36
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008022652	0	34	-1.0	-57.54	328.38	5.19	-52.35
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008022653	0	41	-1.0	-55.85	338.55	5.18	-50.67
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C1(C)NC(=O)NC1=O	REAL300008022654	0	47	-1.0	-59.58	392.50	1.19	-58.39
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022655	0	36	-1.0	-50.66	313.06	5.01	-45.65
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022656	0	36	-1.0	-50.83	307.57	4.85	-45.98
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022657	0	39	-1.0	-59.99	329.80	5.89	-54.10
CC(C)CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022658	0	43	-1.0	-53.58	348.02	6.16	-47.42
COCCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022659	0	41	-1.0	-54.17	344.09	3.96	-50.21
COCCN(CCOC)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022660	0	43	-1.0	-52.81	343.27	0.89	-51.92
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022661	0	34	-1.0	-55.89	301.37	4.86	-51.03
COC1=C(C)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300008022662	0	41	-1.0	-52.64	340.47	4.36	-48.28
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022663	0	47	-1.0	-52.52	379.44	5.77	-46.75
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008022664	0	45	-1.0	-52.83	360.91	5.66	-47.17
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022665	0	44	-1.0	-52.19	359.81	5.19	-47.00
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022666	0	41	-1.0	-52.02	343.77	4.54	-47.48
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300008022667	0	35	-1.0	-51.66	318.36	3.39	-48.27
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300008022668	0	35	-1.0	-53.53	322.80	3.56	-49.97
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300008022669	0	38	-1.0	-53.86	320.47	3.56	-50.30
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300008022670	0	44	-1.0	-53.45	356.19	5.06	-48.39
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300008022671	0	38	-1.0	-53.83	312.33	3.63	-50.20
COCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022672	0	42	-1.0	-54.89	352.50	2.94	-51.95
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022673	0	34	-1.0	-52.16	306.11	4.97	-47.19
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300008022674	0	39	-1.0	-57.88	318.79	6.44	-51.44
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022675	0	40	-1.0	-65.80	344.07	1.92	-63.88
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300008022676	0	43	-1.0	-55.59	376.56	1.29	-54.30
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022677	0	39	-1.0	-55.72	343.49	-0.36	-56.08
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022678	0	39	-1.0	-55.00	326.64	1.86	-53.14
CC(C)[C@@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300008022679	0	34	-1.0	-52.94	306.84	4.87	-48.07
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1F	REAL300008022680	0	35	-1.0	-50.63	306.62	2.89	-47.74
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008022681	0	41	-1.0	-57.79	345.12	6.93	-50.86
CC(C)[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008022682	0	34	-1.0	-54.93	323.95	5.20	-49.73
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S2)=CS1	REAL300008022683	0	37	-1.0	-53.58	351.09	4.10	-49.48
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300008022684	0	51	-1.0	-52.01	401.44	7.09	-44.92
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022685	0	39	-1.0	-50.92	330.35	4.87	-46.05
CNC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN1C	REAL300008022686	0	39	-1.0	-54.82	331.52	1.14	-53.68
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300008022687	0	41	-1.0	-49.69	325.40	4.48	-45.21
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008022688	0	42	-1.0	-55.22	357.04	7.63	-47.59
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300008022689	0	41	-1.0	-55.19	332.39	4.36	-50.83
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300008022690	0	39	-1.0	-54.81	316.23	4.71	-50.10
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300008022691	0	36	-1.0	-57.01	305.03	4.07	-52.94
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300008022692	0	44	-1.0	-59.84	367.31	7.28	-52.56
CCN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300008022693	0	36	-1.0	-53.98	318.78	4.36	-49.62
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008022694	0	38	-1.0	-54.07	343.75	4.22	-49.85
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008022695	0	45	-1.0	-53.52	378.12	6.75	-46.77
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022696	0	39	-1.0	-58.93	334.00	4.79	-54.14
CC(C)[C@@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008022697	0	41	-1.0	-57.37	359.65	5.12	-52.25
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022698	0	53	-1.0	-54.27	405.58	6.34	-47.93
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008022699	0	39	-1.0	-60.37	344.49	0.23	-60.14
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008022700	0	46	-1.0	-61.14	388.80	2.60	-58.54
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008022701	0	44	-1.0	-55.39	360.33	6.08	-49.31
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022702	0	41	-1.0	-47.74	345.17	4.98	-42.76
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008022703	0	36	-1.0	-69.97	315.89	3.61	-66.36
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008022704	0	38	-1.0	-52.17	332.26	4.65	-47.52
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022705	0	45	-1.0	-54.44	373.69	3.93	-50.51
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022706	0	47	-1.0	-52.52	383.37	6.03	-46.49
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300008022707	0	41	-1.0	-56.31	324.75	6.02	-50.29
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008022708	0	37	-1.0	-59.66	315.10	5.28	-54.38
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300008022709	0	35	-1.0	-52.10	323.91	4.91	-47.19
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008022710	0	39	-1.0	-65.05	334.44	4.78	-60.27
CC(C)[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300008022711	0	37	-1.0	-62.83	311.30	-0.12	-62.95
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008022712	0	36	-1.0	-54.67	315.15	3.65	-51.02
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300008022713	0	41	-1.0	-54.50	336.07	4.58	-49.92
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022714	0	39	-1.0	-58.03	344.14	-0.39	-58.42
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008022715	0	35	-1.0	-56.18	306.76	3.52	-52.66
CSC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022716	0	35	-1.0	-52.30	307.06	4.49	-47.81
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008022717	0	37	-1.0	-58.71	329.22	5.18	-53.53
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022718	0	42	-1.0	-55.89	338.85	5.23	-50.66
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008022719	0	37	-1.0	-47.93	311.41	3.20	-44.73
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300008022720	0	36	-1.0	-54.23	305.36	3.90	-50.33
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300008022721	0	43	-1.0	-56.99	367.79	5.57	-51.42
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300008022722	0	37	-1.0	-51.10	321.96	4.96	-46.14
CC(C)[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300008022723	0	37	-1.0	-58.76	346.90	4.30	-54.46
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008022724	0	40	-1.0	-56.36	331.68	5.06	-51.30
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C12	REAL300008022725	0	39	-1.0	-51.20	333.87	3.15	-48.05
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022726	0	38	-1.0	-58.79	341.36	4.12	-54.67
COCC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022727	0	38	-1.0	-55.89	326.01	3.24	-52.65
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008022728	0	42	-1.0	-59.53	347.47	4.71	-54.82
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008022729	0	34	-1.0	-55.77	308.03	4.70	-51.07
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300008022730	0	43	-1.0	-69.17	367.52	2.02	-67.15
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008022731	0	38	-1.0	-56.43	336.49	3.98	-52.45
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Br	REAL300008022732	0	39	-1.0	-57.37	349.11	3.41	-53.96
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300008022733	0	39	-1.0	-56.15	329.65	4.14	-52.01
CC(C)[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008022734	0	34	-1.0	-56.20	321.60	5.15	-51.05
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008022735	0	39	-1.0	-53.95	329.77	4.15	-49.80
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022736	0	43	-1.0	-52.81	323.79	6.77	-46.04
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022737	0	43	-1.0	-59.81	355.90	2.42	-57.39
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300008022738	0	42	-1.0	-53.63	378.27	6.91	-46.72
CC(C)[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008022739	0	37	-1.0	-53.03	337.57	4.21	-48.82
CC(C)[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300008022740	0	37	-1.0	-57.31	355.31	4.75	-52.56
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)=CO1	REAL300008022741	0	40	-1.0	-56.03	343.96	2.50	-53.53
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008022742	0	34	-1.0	-52.68	307.61	2.32	-50.36
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300008022743	0	34	-1.0	-51.81	298.88	2.19	-49.62
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300008022744	0	39	-1.0	-54.90	326.54	4.17	-50.73
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N2)C=C1	REAL300008022745	0	41	-1.0	-52.67	355.58	5.35	-47.32
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008022746	0	39	-1.0	-50.22	344.72	4.65	-45.57
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300008022747	0	36	-1.0	-48.71	311.07	4.65	-44.06
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300008022748	0	42	-1.0	-59.12	361.41	4.31	-54.81
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008022749	0	33	-1.0	-52.59	304.86	3.00	-49.59
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300008022750	0	39	-1.0	-56.29	325.34	3.96	-52.33
CC1=CC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2C=C1	REAL300008022751	0	40	-1.0	-55.37	334.78	6.37	-49.00
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300008022752	0	39	-1.0	-54.72	323.45	3.94	-50.78
CC(C)[C@@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300008022753	0	36	-1.0	-63.76	319.80	3.57	-60.19
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008022754	0	37	-1.0	-55.85	334.70	5.53	-50.32
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008022755	0	43	-1.0	-54.18	345.15	4.07	-50.11
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008022756	0	33	-1.0	-50.32	306.46	2.80	-47.52
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022757	0	39	-1.0	-62.49	319.12	4.03	-58.46
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022758	0	39	-1.0	-49.33	326.78	5.57	-43.76
CC1=CC=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300008022759	0	39	-1.0	-58.35	326.57	6.55	-51.80
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008022760	0	39	-1.0	-60.33	327.55	5.56	-54.77
COC1=CC=C(CCS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022761	0	41	-1.0	-57.15	347.47	4.31	-52.84
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008022762	0	40	-1.0	-55.13	346.61	5.21	-49.92
COC1=CC(OC)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022763	0	39	-1.0	-55.67	329.93	2.13	-53.54
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)OCO2	REAL300008022764	0	37	-1.0	-56.43	310.97	3.01	-53.42
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Cl	REAL300008022765	0	35	-1.0	-50.98	313.04	3.29	-47.69
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300008022766	0	37	-1.0	-58.64	315.77	4.80	-53.84
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300008022767	0	39	-1.0	-67.52	324.72	5.46	-62.06
CC1=NC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2O1	REAL300008022768	0	36	-1.0	-54.30	314.57	1.18	-53.12
CCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1CC	REAL300008022769	0	43	-1.0	-54.55	343.90	6.04	-48.51
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022770	0	39	-1.0	-47.22	326.32	5.76	-41.46
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022771	0	41	-1.0	-56.53	324.84	5.01	-51.52
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300008022772	0	32	-1.0	-51.25	294.44	1.51	-49.74
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300008022773	0	38	-1.0	-55.09	315.68	3.27	-51.82
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300008022774	0	37	-1.0	-60.51	315.00	5.00	-55.51
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300008022775	0	34	-1.0	-46.39	300.28	2.25	-44.14
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC(C)=C1F	REAL300008022776	0	37	-1.0	-50.34	313.92	4.81	-45.53
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300008022777	0	38	-1.0	-55.56	326.89	3.27	-52.29
CC(C)[C@@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300008022778	0	44	-1.0	-59.84	373.49	5.08	-54.76
CC(C)[C@@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300008022779	0	35	-1.0	-59.62	307.14	3.57	-56.05
CC(C)[C@@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300008022780	0	33	-1.0	-59.37	304.47	3.08	-56.29
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008022781	0	34	-1.0	-56.52	313.20	4.74	-51.78
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Cl	REAL300008022782	0	34	-1.0	-50.44	302.33	4.57	-45.87
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300008022783	0	37	-1.0	-64.73	314.93	4.45	-60.28
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)=N1	REAL300008022784	0	40	-1.0	-54.14	357.15	4.99	-49.15
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300008022785	0	39	-1.0	-58.77	320.94	4.68	-54.09
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300008022786	0	38	-1.0	-62.15	337.97	1.37	-60.78
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300008022787	0	40	-1.0	-49.47	327.23	3.89	-45.58
CC(C)[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300008022788	0	34	-1.0	-55.29	314.43	4.77	-50.52
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022789	0	56	-1.0	-52.49	447.86	8.37	-44.12
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022790	0	41	-1.0	-42.74	362.59	5.75	-36.99
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022791	0	44	-1.0	-53.02	357.57	5.11	-47.91
COC(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C1CCCC1	REAL300008022792	0	44	-1.0	-54.05	346.70	3.78	-50.27
COC(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C1CCCCC1	REAL300008022793	0	47	-1.0	-53.21	361.38	4.32	-48.89
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300008022794	0	45	-1.0	-51.87	384.34	6.82	-45.05
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008022795	0	50	-1.0	-54.03	398.99	6.49	-47.54
CCC1=NC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN1CC1CC1	REAL300008022796	0	44	-1.0	-62.83	366.79	5.46	-57.37
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300008022797	0	34	-1.0	-51.49	307.49	3.01	-48.48
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300008022798	0	39	-1.0	-50.20	331.50	5.79	-44.41
CC(C)[C@@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300008022799	0	38	-1.0	-51.31	312.12	3.19	-48.12
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300008022800	0	44	-1.0	-51.13	374.59	5.89	-45.24
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300008022801	0	34	-1.0	-47.14	308.17	2.17	-44.97
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008022802	0	42	-1.0	-56.58	367.46	7.56	-49.02
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300008022803	0	41	-1.0	-58.32	334.16	6.93	-51.39
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC(C)=C1OCC1=CC=CC=C1	REAL300008022804	0	51	-1.0	-53.17	426.29	8.42	-44.75
CCC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300008022805	0	44	-1.0	-55.37	354.73	5.09	-50.28
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008022806	0	37	-1.0	-50.19	338.74	5.32	-44.87
CC(C)[C@@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022807	1	33	-1.0	-65.30	295.52	2.40	-62.90
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300008022808	0	40	-1.0	-59.43	320.98	6.59	-52.84
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300008022809	0	40	-1.0	-51.80	336.74	1.96	-49.84
COC1=C(F)C=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022810	0	35	-1.0	-51.98	305.78	3.72	-48.26
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008022811	0	47	-1.0	-53.81	380.88	5.77	-48.04
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300008022812	0	43	-1.0	-54.75	351.06	5.82	-48.93
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008022813	0	50	-1.0	-57.54	398.30	8.03	-49.51
CC(C)[C@@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300008022814	0	41	-1.0	-51.06	330.19	3.54	-47.52
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300008022815	0	43	-1.0	-56.25	332.50	3.50	-52.75
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300008022816	0	41	-1.0	-53.54	339.16	3.88	-49.66
CC(C)[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300008022817	0	34	-1.0	-45.14	298.16	2.32	-42.82
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022818	0	38	-1.0	-58.04	329.12	3.68	-54.36
C=CCCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022819	0	41	-1.0	-53.94	344.73	6.23	-47.71
CCCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008022820	0	53	-1.0	-52.47	420.48	7.28	-45.19
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008022821	0	35	-1.0	-53.59	322.71	5.26	-48.33
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300008022822	0	53	-1.0	-54.75	416.85	7.24	-47.51
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1CC	REAL300008022823	0	47	-1.0	-53.82	382.07	5.96	-47.86
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022824	0	37	-1.0	-47.52	313.28	5.65	-41.87
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022825	0	37	-1.0	-55.35	326.78	5.42	-49.93
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008022826	0	35	-1.0	-54.17	314.24	5.13	-49.04
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022827	0	47	-1.0	-55.98	383.36	6.28	-49.70
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300008022828	0	36	-1.0	-56.66	304.27	4.07	-52.59
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)C=C1	REAL300008022829	0	46	-1.0	-51.83	395.73	7.33	-44.50
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300008022830	0	38	-1.0	-55.02	318.26	3.14	-51.88
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300008022831	0	38	-1.0	-49.90	317.01	3.25	-46.65
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300008022832	0	41	-1.0	-49.29	336.58	4.09	-45.20
CC(C)[C@@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300008022833	0	42	-1.0	-58.38	336.92	1.60	-56.78
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300008022834	0	37	-1.0	-53.64	340.65	4.48	-49.16
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2CCCCN21)C(=O)[O-]	REAL300008022835	0	38	-1.0	-54.57	305.49	3.14	-51.43
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008022836	0	56	-1.0	-51.79	445.37	8.13	-43.66
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300008022837	0	47	-1.0	-57.57	363.60	5.05	-52.52
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022838	0	41	-1.0	-57.56	343.44	4.92	-52.64
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008022839	0	54	-1.0	-56.71	438.28	6.01	-50.70
CC(C)[C@@H](NS(=O)(=O)C1=C2OC(C)CC2=CC=C1)C(=O)[O-]	REAL300008022840	0	39	-1.0	-59.27	330.82	4.19	-55.08
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008022841	0	39	-1.0	-52.06	342.47	3.23	-48.83
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300008022842	0	37	-1.0	-57.51	321.08	4.04	-53.47
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022843	0	36	-1.0	-64.13	313.49	3.10	-61.03
CC(C)[C@@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300008022844	0	35	-1.0	-53.37	323.71	4.05	-49.32
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300008022845	0	34	-1.0	-55.46	310.37	4.99	-50.47
CC(C)[C@@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300008022846	0	38	-1.0	-48.61	321.45	3.21	-45.40
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1F	REAL300008022847	0	40	-1.0	-50.26	319.06	5.65	-44.61
COC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1OC	REAL300008022848	0	39	-1.0	-55.01	325.81	3.37	-51.64
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300008022849	0	44	-1.0	-53.11	354.99	4.45	-48.66
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022850	0	43	-1.0	-55.45	349.76	4.07	-51.38
CCCCN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=N1	REAL300008022851	0	43	-1.0	-53.07	358.32	4.18	-48.89
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300008022852	0	38	-1.0	-54.56	328.75	3.32	-51.24
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300008022853	0	35	-1.0	-55.35	306.11	3.05	-52.30
CC(C)[C@@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300008022854	0	36	-1.0	-53.71	310.40	1.86	-51.85
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Br	REAL300008022855	0	37	-1.0	-55.64	323.73	5.47	-50.17
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300008022856	0	37	-1.0	-49.78	336.28	4.64	-45.14
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300008022857	0	41	-1.0	-54.09	341.85	3.87	-50.22
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022858	0	49	-1.0	-57.43	381.17	7.40	-50.03
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300008022859	0	37	-1.0	-54.48	342.13	5.40	-49.08
CC(C)[C@@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300008022860	0	41	-1.0	-51.62	341.56	4.12	-47.50
CC(C)[C@@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300008022861	0	35	-1.0	-57.00	299.46	4.33	-52.67
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300008022862	0	42	-1.0	-56.93	369.38	6.42	-50.51
COC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300008022863	0	40	-1.0	-71.64	330.48	4.87	-66.77
CC(C)[C@@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300008022864	0	38	-1.0	-51.70	311.20	2.97	-48.73
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300008022865	0	40	-1.0	-49.19	312.18	3.20	-45.99
CC(C)[C@@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300008022866	0	40	-1.0	-51.91	332.07	3.19	-48.72
CC(C)[C@@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300008022867	0	38	-1.0	-52.95	319.24	2.53	-50.42
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300008022868	0	36	-1.0	-47.02	321.65	3.29	-43.73
CC(C)[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008022869	0	34	-1.0	-48.80	316.42	4.60	-44.20
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022870	0	42	-1.0	-59.02	352.10	5.47	-53.55
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300008022871	0	42	-1.0	-56.65	342.75	6.66	-49.99
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300008022872	0	37	-1.0	-51.66	330.53	4.54	-47.12
CC(C)[C@@H](NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300008022873	0	38	-1.0	-63.05	320.46	1.80	-61.25
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022874	0	41	-1.0	-51.74	369.03	4.32	-47.42
CC(C)[C@@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300008022875	0	31	-1.0	-52.20	287.40	3.90	-48.30
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300008022876	0	41	-1.0	-49.42	328.35	3.92	-45.50
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022877	0	40	-1.0	-50.19	328.22	3.37	-46.82
CC(C)[C@@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300008022878	0	45	-1.0	-55.02	333.65	4.21	-50.81
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300008022879	0	45	-1.0	-53.56	366.09	2.64	-50.92
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300008022880	0	37	-1.0	-55.81	324.16	5.04	-50.77
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300008022881	0	35	-1.0	-53.04	310.18	3.10	-49.94
CC(C)[C@@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300008022882	0	46	-1.0	-54.45	362.96	6.09	-48.36
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300008022883	0	42	-1.0	-66.72	343.46	5.90	-60.82
CC(C)[C@@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300008022884	0	39	-1.0	-53.55	322.34	3.57	-49.98
CCOCC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022885	0	41	-1.0	-56.84	344.47	4.13	-52.71
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300008022886	0	34	-1.0	-53.39	330.76	5.56	-47.83
CC(C)[C@@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300008022887	0	41	-1.0	-51.59	353.21	4.75	-46.84
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300008022888	0	44	-1.0	-53.63	354.09	4.43	-49.20
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008022889	0	42	-1.0	-52.94	361.52	6.38	-46.56
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300008022890	0	37	-1.0	-50.74	324.60	5.22	-45.52
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300008022891	0	34	-1.0	-53.39	330.76	5.56	-47.83
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008022892	0	40	-1.0	-58.01	327.47	6.39	-51.62
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008022893	0	41	-1.0	-55.25	342.52	4.99	-50.26
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300008022894	0	35	-1.0	-53.38	306.41	4.77	-48.61
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008022895	0	35	-1.0	-53.52	327.27	5.38	-48.14
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008022896	0	35	-1.0	-52.76	321.28	5.32	-47.44
CC(C)[C@@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300008022897	0	36	-1.0	-62.56	313.98	-2.53	-65.09
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300008022898	0	33	-1.0	-53.20	297.77	2.86	-50.34
CC1=NC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300008022899	0	40	-1.0	-59.76	342.23	2.76	-57.00
CC(C)[C@@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300008022900	0	48	-1.0	-57.86	344.41	6.32	-51.54
CC(C)[C@@H](NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300008022901	0	39	-1.0	-53.89	305.73	3.93	-49.96
CC(C)[C@@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300008022902	0	39	-1.0	-66.36	343.19	0.33	-66.03
CC(C)[C@@H](NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300008022903	0	44	-1.0	-58.41	346.98	3.88	-54.53
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008022904	0	35	-1.0	-64.52	315.37	2.48	-62.04
CC(C)[C@@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300008022905	0	41	-1.0	-58.09	350.69	6.34	-51.75
CC(C)[C@@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300008022906	0	40	-1.0	-61.88	319.88	0.92	-60.96
CC(C)[C@@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300008022907	0	44	-1.0	-55.69	338.55	5.54	-50.15
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300008022908	0	35	-1.0	-54.41	315.44	4.87	-49.54
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300008022909	0	53	-1.0	-55.94	402.54	7.72	-48.22
COC1=CC=C(C=C(C)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022910	0	42	-1.0	-55.60	346.77	4.57	-51.03
COC1=CSC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1OC	REAL300008022911	0	36	-1.0	-55.03	322.09	2.14	-52.89
CC(C)[C@@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300008022912	0	43	-1.0	-53.30	326.19	3.86	-49.44
CC(C)[C@@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300008022913	0	42	-1.0	-54.28	352.47	5.40	-48.88
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300008022914	0	35	-1.0	-53.18	319.63	4.44	-48.74
COC1=CC(F)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300008022915	0	35	-1.0	-56.60	309.41	3.07	-53.53
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300008022916	0	35	-1.0	-56.22	316.38	3.16	-53.06
CC(C)[C@@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300008022917	0	37	-1.0	-52.23	309.99	3.45	-48.78
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300008022918	0	38	-1.0	-56.83	324.59	5.28	-51.55
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300008022919	0	40	-1.0	-52.90	351.70	4.00	-48.90
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022920	0	44	-1.0	-51.51	361.80	5.83	-45.68
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008022921	0	42	-1.0	-57.35	361.31	6.43	-50.92
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300008022922	0	37	-1.0	-67.09	302.59	4.72	-62.37
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300008022923	0	32	-1.0	-44.15	306.74	2.26	-41.89
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022924	0	42	-1.0	-54.51	351.21	5.07	-49.44
CCN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300008022925	0	41	-1.0	-45.71	343.36	4.23	-41.48
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300008022926	0	35	-1.0	-64.63	306.99	2.84	-61.79
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300008022927	0	37	-1.0	-53.33	330.13	6.22	-47.11
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008022928	0	41	-1.0	-52.90	358.45	7.37	-45.53
CC(C)[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300008022929	0	30	-1.0	-50.63	297.42	1.63	-49.00
CCC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300008022930	0	37	-1.0	-51.12	326.57	5.31	-45.81
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022931	0	44	-1.0	-49.93	354.35	4.69	-45.24
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022932	0	45	-1.0	-60.50	377.71	3.91	-56.59
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300008022933	0	37	-1.0	-54.79	327.56	6.35	-48.44
CC(C)[C@@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300008022934	0	39	-1.0	-50.28	319.71	1.15	-49.13
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300008022935	0	37	-1.0	-52.63	335.76	3.35	-49.28
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300008022936	0	46	-1.0	-54.40	369.41	3.82	-50.58
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022937	0	34	-1.0	-52.58	315.56	1.31	-51.27
COC1=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300008022938	0	37	-1.0	-50.20	314.23	0.89	-49.31
CC(C)CN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300008022939	0	40	-1.0	-55.99	335.77	3.55	-52.44
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022940	0	40	-1.0	-53.56	333.72	3.18	-50.38
CC(C)[C@@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300008022941	0	41	-1.0	-54.92	327.17	1.05	-53.87
COCC1=CC(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=NO1	REAL300008022942	0	37	-1.0	-57.88	327.06	1.41	-56.47
CC(C)[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008022943	0	36	-1.0	-55.15	318.98	5.52	-49.63
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300008022944	0	42	-1.0	-54.03	341.28	3.84	-50.19
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300008022945	0	38	-1.0	-50.10	321.93	3.72	-46.38
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300008022946	0	38	-1.0	-52.64	318.87	4.77	-47.87
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300008022947	0	33	-1.0	-57.10	299.13	3.00	-54.10
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=NN1C(C)C	REAL300008022948	0	40	-1.0	-58.13	333.46	3.27	-54.86
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300008022949	0	45	-1.0	-53.04	381.67	7.10	-45.94
CC(C)[C@@H](NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008022950	0	36	-1.0	-61.19	308.74	4.08	-57.11
CC(C)[C@@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300008022951	0	34	-1.0	-51.08	296.06	3.02	-48.06
CC(C)[C@@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300008022952	0	39	-1.0	-61.16	322.40	-0.87	-62.03
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C(F)F)=C1	REAL300008022953	0	38	-1.0	-56.32	314.25	3.40	-52.92
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022954	0	37	-1.0	-52.10	333.58	1.60	-50.50
CC(C)[C@@H](NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300008022955	0	36	-1.0	-53.79	305.35	3.92	-49.87
CCOC1=CC=CN=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022956	0	37	-1.0	-63.91	310.36	2.94	-60.97
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300008022957	0	39	-1.0	-51.61	327.31	4.72	-46.89
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300008022958	0	33	-1.0	-56.19	295.86	2.44	-53.75
CC(C)[C@@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300008022959	0	38	-1.0	-53.39	341.41	4.43	-48.96
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300008022960	0	44	-1.0	-58.66	358.71	5.58	-53.08
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)C=C1	REAL300008022961	0	43	-1.0	-49.67	361.55	6.00	-43.67
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)=C1	REAL300008022962	0	43	-1.0	-56.24	362.56	6.05	-50.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCO1	REAL300008022963	0	46	-1.0	-54.69	376.27	6.91	-47.78
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCO1	REAL300008022964	0	47	-1.0	-59.28	381.95	5.83	-53.45
CC1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)C=C1C(=O)[O-]	REAL300008022965	0	46	-1.0	-56.33	377.60	6.53	-49.80
O=C([O-])C1=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)C=CS1	REAL300008022966	0	40	-1.0	-53.78	344.73	5.78	-48.00
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)=C1	REAL300008022967	0	43	-1.0	-56.24	362.56	6.05	-50.19
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)C=C1	REAL300008022968	0	43	-1.0	-49.67	361.55	6.00	-43.67
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCO1	REAL300008022969	0	43	-1.0	-57.76	350.77	6.87	-50.89
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)=CN1	REAL300008022970	0	41	-1.0	-50.44	351.08	3.78	-46.66
O=C([O-])CN1C=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)C=N1	REAL300008022971	0	43	-1.0	-50.96	366.12	4.11	-46.85
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)S1	REAL300008022972	0	40	-1.0	-47.51	354.83	5.18	-42.33
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCO1	REAL300008022973	0	40	-1.0	-56.62	338.67	3.09	-53.53
O=C([O-])C1CCCN(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)C1	REAL300008022974	0	48	-1.0	-51.68	377.98	5.08	-46.60
O=C([O-])C1CCN(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)CC1	REAL300008022975	0	48	-1.0	-47.67	379.18	5.14	-42.53
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCO1	REAL300008022976	0	43	-1.0	-57.76	350.77	6.87	-50.89
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCO1	REAL300008022977	0	43	-1.0	-51.00	367.68	7.39	-43.61
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)O1	REAL300008022978	0	40	-1.0	-48.65	347.32	4.42	-44.23
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)O1	REAL300008022979	0	43	-1.0	-51.50	364.53	4.84	-46.66
O=C([O-])CCCS(=O)(=O)NCC1(C2=CC=CC=C2)CCCO1	REAL300008022980	0	42	-1.0	-53.82	348.75	4.70	-49.12
O=C([O-])C1CCCN1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCO1	REAL300008022981	0	45	-1.0	-60.30	362.37	5.20	-55.10
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)C=C1	REAL300008022982	0	46	-1.0	-59.48	386.50	6.79	-52.69
O=C([O-])C1CCN(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)CC1	REAL300008022983	0	48	-1.0	-47.67	379.18	5.14	-42.53
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)=C1	REAL300008022984	0	46	-1.0	-59.90	386.51	6.78	-53.12
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)O1	REAL300008022985	0	40	-1.0	-48.65	347.32	4.42	-44.23
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)C=C1	REAL300008022986	0	47	-1.0	-49.79	393.79	6.35	-43.44
O=C([O-])CCCS(=O)(=O)NCC1(C2=CC=CC=C2)CCCO1	REAL300008022987	0	42	-1.0	-53.82	348.75	4.70	-49.12
O=C([O-])C1=CSC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)=C1	REAL300008022988	0	40	-1.0	-51.86	355.75	5.08	-46.78
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)=C1C	REAL300008022989	0	49	-1.0	-55.98	394.16	7.48	-48.50
CC1=CC=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)=C1C(=O)[O-]	REAL300008022990	0	46	-1.0	-61.97	378.50	7.05	-54.92
O=C([O-])C1=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)=CS1	REAL300008022991	0	40	-1.0	-50.34	354.21	5.07	-45.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCO1	REAL300008022992	0	46	-1.0	-52.28	371.85	6.81	-45.47
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)C=C1	REAL300008022993	0	46	-1.0	-50.37	383.73	6.78	-43.59
O=C([O-])C1=COC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)=C1	REAL300008022994	0	40	-1.0	-50.77	346.56	4.11	-46.66
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)=C1	REAL300008022995	0	46	-1.0	-54.98	383.73	6.77	-48.21
CC1=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)C=C(C(=O)[O-])O1	REAL300008022996	0	43	-1.0	-51.94	367.30	5.16	-46.78
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)=C1	REAL300008022997	0	42	-1.0	-50.00	357.89	4.26	-45.74
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCO1	REAL300008022998	0	39	-1.0	-55.58	340.09	4.30	-51.28
O=C([O-])C1=C(S(=O)(=O)NCC2(C3=CC=CC=C3)CCCO2)SC=N1	REAL300008022999	0	39	-1.0	-60.00	344.13	3.77	-56.23
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1(C2=CC=CC=C2)CCCO1	REAL300008023000	0	42	-1.0	-58.19	348.53	5.15	-53.04
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300008032772	0	38	-1.0	-42.04	312.60	4.95	-37.09
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300008032773	0	45	-1.0	-45.90	364.59	5.41	-40.49
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300008032774	0	45	-1.0	-60.50	381.54	2.75	-57.75
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300008032775	0	42	-1.0	-52.21	335.75	6.52	-45.69
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008032776	0	42	-1.0	-48.99	351.51	7.26	-41.73
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008032777	0	45	-1.0	-46.52	363.74	3.80	-42.72
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300008032778	0	48	-1.0	-43.76	396.20	6.11	-37.65
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300008032779	0	48	-1.0	-44.99	394.81	6.42	-38.57
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CCC)C=N1	REAL300008032780	0	40	-1.0	-58.86	332.21	6.00	-52.86
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCOCCOCCOC	REAL300008032781	0	48	-1.0	-58.93	391.51	3.55	-55.38
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300008032782	0	50	-1.0	-56.04	384.43	6.55	-49.49
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300008032783	0	41	-1.0	-44.21	354.81	5.55	-38.66
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008032784	0	42	-1.0	-53.49	343.98	3.02	-50.47
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300008032785	0	38	-1.0	-56.03	339.59	5.39	-50.64
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008032786	0	38	-1.0	-39.58	322.37	5.22	-34.36
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300008032787	0	40	-1.0	-53.78	344.76	6.52	-47.26
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300008032788	0	40	-1.0	-49.92	330.94	6.89	-43.03
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300008032789	0	40	-1.0	-39.34	330.27	6.70	-32.64
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300008032790	0	40	-1.0	-54.08	342.88	6.93	-47.15
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300008032791	0	43	-1.0	-52.97	329.83	7.00	-45.97
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300008032792	0	46	-1.0	-42.31	360.47	2.34	-39.97
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OCC)=C1	REAL300008032793	0	41	-1.0	-57.02	333.48	6.32	-50.70
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300008032794	0	41	-1.0	-52.25	345.69	2.88	-49.37
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008032795	0	41	-1.0	-47.29	350.95	5.79	-41.50
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008032796	0	42	-1.0	-59.72	357.02	8.43	-51.29
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008032797	0	39	-1.0	-57.14	322.32	6.40	-50.74
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008032798	0	37	-1.0	-60.09	328.09	7.56	-52.53
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300008032799	0	37	-1.0	-55.02	324.18	6.49	-48.53
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008032800	0	41	-1.0	-64.09	351.18	3.12	-60.97
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300008032801	0	37	-1.0	-42.34	330.10	6.61	-35.73
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300008032802	0	37	-1.0	-43.22	308.85	6.17	-37.05
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300008032803	0	41	-1.0	-50.88	326.16	5.15	-45.73
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300008032804	0	38	-1.0	-54.32	339.15	5.75	-48.57
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300008032805	0	42	-1.0	-41.95	353.42	4.83	-37.12
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008032806	0	37	-1.0	-56.92	329.90	4.33	-52.59
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008032807	0	37	-1.0	-61.80	326.71	4.37	-57.43
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008032808	0	45	-1.0	-53.37	363.41	6.50	-46.87
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008032809	0	37	-1.0	-51.72	318.83	4.57	-47.15
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC	REAL300008032810	0	45	-1.0	-61.35	354.95	3.90	-57.45
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1	REAL300008032811	0	46	-1.0	-52.01	391.04	4.54	-47.47
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300008032812	0	38	-1.0	-54.81	313.67	6.16	-48.65
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008032813	0	42	-1.0	-60.03	367.44	2.51	-57.52
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC)C(C)C(=O)[O-])C=C1	REAL300008032814	0	48	-1.0	-48.98	405.71	3.04	-45.94
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300008032815	0	45	-1.0	-57.53	350.46	4.90	-52.63
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300008032816	0	45	-1.0	-58.97	388.90	3.41	-55.56
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(CC)C=C1	REAL300008032817	0	43	-1.0	-58.44	352.57	7.42	-51.02
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CS1	REAL300008032818	0	37	-1.0	-42.33	321.79	5.87	-36.46
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008032819	0	49	-1.0	-61.09	402.20	5.85	-55.24
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008032820	0	46	-1.0	-61.38	371.22	4.85	-56.53
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300008032821	0	43	-1.0	-66.02	363.33	4.49	-61.53
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300008032822	0	44	-1.0	-49.69	366.88	2.42	-47.27
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(C)C(C)=C1	REAL300008032823	0	43	-1.0	-60.59	345.21	8.15	-52.44
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(Br)=C1	REAL300008032824	0	41	-1.0	-55.12	360.21	6.31	-48.81
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300008032825	0	48	-1.0	-58.96	390.32	9.18	-49.78
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008032826	0	38	-1.0	-39.18	334.53	5.74	-33.44
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300008032827	0	41	-1.0	-59.39	349.83	6.69	-52.70
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008032828	0	48	-1.0	-50.62	397.75	7.25	-43.37
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300008032829	0	41	-1.0	-42.52	345.65	6.08	-36.44
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300008032830	0	46	-1.0	-47.04	378.11	6.87	-40.17
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300008032831	0	41	-1.0	-49.98	349.83	0.02	-49.96
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300008032832	0	40	-1.0	-58.40	338.50	6.63	-51.77
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008032833	0	37	-1.0	-55.23	344.42	7.42	-47.81
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300008032834	0	40	-1.0	-41.90	343.19	7.97	-33.93
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008032835	0	37	-1.0	-46.34	332.68	6.93	-39.41
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008032836	0	40	-1.0	-47.98	331.32	7.75	-40.23
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008032837	0	40	-1.0	-44.86	347.59	7.04	-37.82
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008032838	0	45	-1.0	-44.98	367.93	6.69	-38.29
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008032839	0	48	-1.0	-41.72	389.71	8.35	-33.37
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008032840	0	47	-1.0	-51.17	393.12	6.79	-44.38
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008032841	0	45	-1.0	-60.17	384.15	2.32	-57.85
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300008032842	0	43	-1.0	-49.38	343.99	7.89	-41.49
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300008032843	0	45	-1.0	-56.15	355.76	6.72	-49.43
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008032844	0	40	-1.0	-43.31	347.75	7.23	-36.08
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008032845	0	39	-1.0	-52.37	316.38	2.77	-49.60
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300008032846	0	47	-1.0	-55.31	368.29	6.72	-48.59
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300008032847	0	41	-1.0	-55.04	335.43	6.59	-48.45
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008032848	0	43	-1.0	-73.48	367.48	4.46	-69.02
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300008032849	0	38	-1.0	-54.89	344.44	7.25	-47.64
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(CC)N(C)N=C1CC	REAL300008032850	0	46	-1.0	-50.34	348.86	5.44	-44.90
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008032851	0	42	-1.0	-43.68	358.54	3.89	-39.79
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(CC)C2=C1	REAL300008032852	0	41	-1.0	-52.42	349.60	3.16	-49.26
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008032853	0	45	-1.0	-48.81	381.32	5.13	-43.68
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008032854	0	39	-1.0	-57.57	332.72	4.59	-52.98
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(CC)C=C(CC)C=C1CC	REAL300008032855	0	52	-1.0	-42.55	368.98	9.00	-33.55
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008032856	0	41	-1.0	-50.59	328.85	5.24	-45.35
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008032857	0	40	-1.0	-53.88	356.97	3.54	-50.34
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008032858	0	43	-1.0	-62.06	347.27	8.84	-53.22
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300008032859	0	41	-1.0	-46.78	327.15	4.91	-41.87
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300008032860	0	46	-1.0	-42.05	336.15	6.79	-35.26
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008032861	0	43	-1.0	-45.56	347.23	6.70	-38.86
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008032863	0	42	-1.0	-52.59	351.85	7.29	-45.30
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300008032864	0	41	-1.0	-56.67	360.58	5.70	-50.97
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300008032865	0	40	-1.0	-56.83	334.10	6.65	-50.18
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008032867	0	34	-1.0	-52.38	314.19	6.31	-46.07
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008032868	0	47	-1.0	-43.50	375.53	8.67	-34.83
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008032869	0	45	-1.0	-46.67	368.61	6.10	-40.57
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008032870	0	43	-1.0	-47.43	347.92	2.54	-44.89
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008032871	0	37	-1.0	-49.76	321.05	5.74	-44.02
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=C(C)N=CS1	REAL300008032872	0	39	-1.0	-56.66	334.70	4.48	-52.18
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300008032873	0	44	-1.0	-60.25	327.71	7.66	-52.59
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300008032874	0	46	-1.0	-54.75	369.86	6.96	-47.79
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300008032875	0	47	-1.0	-56.57	341.56	7.27	-49.30
CCCN(C(C)C(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008032876	0	45	-1.0	-66.28	356.27	3.34	-62.94
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300008032877	0	43	-1.0	-53.02	338.37	6.50	-46.52
CCCN(C(C)C(=O)[O-])S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008032878	0	41	-1.0	-61.98	338.59	7.75	-54.23
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1	REAL300008032879	0	42	-1.0	-50.41	348.88	7.10	-43.31
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008032880	0	34	-1.0	-41.80	303.32	5.77	-36.03
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008032881	0	34	-1.0	-41.73	307.89	5.87	-35.86
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008032882	0	36	-1.0	-40.68	315.61	6.00	-34.68
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008032883	0	40	-1.0	-57.59	327.00	8.35	-49.24
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008032884	0	36	-1.0	-50.93	312.05	5.85	-45.08
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300008032885	0	39	-1.0	-39.12	320.05	6.36	-32.76
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1	REAL300008032886	0	38	-1.0	-44.36	316.89	4.62	-39.74
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008032887	0	36	-1.0	-69.27	295.97	6.79	-62.48
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OCC	REAL300008032888	0	41	-1.0	-40.68	345.52	6.34	-34.34
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C=C1	REAL300008032889	0	41	-1.0	-45.16	338.73	5.55	-39.61
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300008032890	0	46	-1.0	-51.78	334.61	7.35	-44.43
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300008032891	0	43	-1.0	-51.15	327.97	7.32	-43.83
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300008032892	0	49	-1.0	-43.39	367.42	8.02	-35.37
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008032893	0	37	-1.0	-53.86	320.19	7.08	-46.78
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008032894	0	37	-1.0	-58.13	305.36	6.43	-51.70
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008032895	0	34	-1.0	-55.50	305.18	5.93	-49.57
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300008032896	0	39	-1.0	-44.60	327.83	5.66	-38.94
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300008032897	0	40	-1.0	-55.86	339.33	5.93	-49.93
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300008032898	0	46	-1.0	-44.97	363.59	7.65	-37.32
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300008032899	0	43	-1.0	-44.82	347.62	7.26	-37.56
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300008032900	0	45	-1.0	-49.05	382.95	3.33	-45.72
CCCC1=CC=C(S(=O)(=O)N(CCC)C(C)C(=O)[O-])C=C1	REAL300008032901	0	43	-1.0	-44.87	350.97	7.47	-37.40
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC	REAL300008032902	0	38	-1.0	-48.28	305.69	5.51	-42.77
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300008032903	0	38	-1.0	-55.47	338.36	5.38	-50.09
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300008032904	0	37	-1.0	-53.08	320.65	7.26	-45.82
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300008032905	0	48	-1.0	-46.06	397.16	8.85	-37.21
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008032906	0	38	-1.0	-41.85	333.39	5.12	-36.73
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300008032907	0	49	-1.0	-52.62	352.69	8.15	-44.47
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008032908	0	43	-1.0	-44.16	349.40	5.22	-38.94
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300008032909	0	50	-1.0	-44.76	384.36	7.29	-37.47
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300008032910	0	39	-1.0	-51.11	328.61	6.44	-44.67
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300008032911	0	38	-1.0	-41.89	327.50	5.52	-36.37
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300008032912	0	52	-1.0	-56.95	384.44	9.39	-47.56
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008032913	0	37	-1.0	-54.27	327.53	6.47	-47.80
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008032914	0	44	-1.0	-52.63	347.08	7.73	-44.90
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300008032915	0	42	-1.0	-45.57	335.66	4.18	-41.39
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300008032916	0	42	-1.0	-57.66	347.96	4.98	-52.68
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008032917	0	41	-1.0	-58.70	333.88	7.36	-51.34
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008032918	0	42	-1.0	-46.06	341.85	7.74	-38.32
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008032919	0	39	-1.0	-56.07	317.83	5.94	-50.13
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300008032920	0	49	-1.0	-44.45	390.84	8.83	-35.62
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(OCC)=C1	REAL300008032921	0	48	-1.0	-56.71	383.58	7.13	-49.58
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008032922	0	39	-1.0	-49.98	340.81	0.20	-49.78
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1	REAL300008032923	0	42	-1.0	-61.36	353.64	7.49	-53.87
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300008032924	0	42	-1.0	-51.78	337.83	7.15	-44.63
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300008032925	0	42	-1.0	-53.21	339.33	6.70	-46.51
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300008032926	0	40	-1.0	-64.60	325.44	6.08	-58.52
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300008032927	0	38	-1.0	-44.65	321.93	6.02	-38.63
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008032928	0	39	-1.0	-59.06	335.39	1.02	-58.04
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008032929	0	46	-1.0	-60.52	382.12	3.67	-56.85
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300008032930	0	42	-1.0	-44.12	329.81	6.18	-37.94
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300008032931	0	42	-1.0	-73.72	333.01	8.55	-65.17
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300008032932	0	45	-1.0	-64.16	384.85	3.78	-60.38
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008032933	0	46	-1.0	-70.04	375.17	5.13	-64.91
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008032934	0	40	-1.0	-60.95	341.85	3.59	-57.36
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008032935	0	44	-1.0	-62.38	346.89	9.76	-52.62
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008032936	0	40	-1.0	-46.20	314.62	7.23	-38.97
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008032937	0	44	-1.0	-46.80	360.77	8.66	-38.14
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C	REAL300008032938	0	37	-1.0	-40.11	297.60	5.76	-34.35
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300008032939	0	48	-1.0	-44.11	369.03	7.03	-37.08
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008032940	0	35	-1.0	-45.89	303.02	4.20	-41.69
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300008032941	0	38	-1.0	-42.00	322.94	5.41	-36.59
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1	REAL300008032942	0	38	-1.0	-57.07	310.65	5.37	-51.70
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1	REAL300008032943	0	49	-1.0	-44.93	377.81	8.12	-36.81
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300008032944	0	37	-1.0	-58.07	324.70	6.89	-51.18
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300008032945	0	44	-1.0	-45.49	356.05	6.11	-39.38
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008032946	0	37	-1.0	-60.15	323.52	7.46	-52.69
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NON=C21	REAL300008032947	0	35	-1.0	-42.62	295.42	4.62	-38.00
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008032948	0	39	-1.0	-59.48	335.31	7.76	-51.72
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008032949	0	39	-1.0	-52.75	317.99	6.06	-46.69
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008032950	0	45	-1.0	-48.52	392.53	8.73	-39.79
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300008032951	0	40	-1.0	-42.17	333.72	6.17	-36.00
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300008032952	0	38	-1.0	-55.51	324.16	4.79	-50.72
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300008032953	0	37	-1.0	-58.62	315.96	6.48	-52.14
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008032954	0	45	-1.0	-56.53	395.45	8.97	-47.56
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300008032955	0	49	-1.0	-56.84	407.02	7.88	-48.96
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300008032956	0	61	-1.0	-45.77	444.20	11.09	-34.68
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300008032957	0	50	-1.0	-46.41	392.04	8.62	-37.79
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008032958	0	37	-1.0	-58.92	339.22	7.95	-50.97
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300008032959	0	44	-1.0	-47.64	351.23	6.95	-40.69
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300008032960	0	39	-1.0	-48.61	320.51	6.56	-42.05
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300008032961	0	39	-1.0	-48.57	314.25	6.19	-42.38
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC	REAL300008032962	0	42	-1.0	-59.88	335.21	8.11	-51.77
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300008032963	0	46	-1.0	-44.92	367.73	7.93	-36.99
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCOC)C=C1	REAL300008032964	0	44	-1.0	-44.87	363.95	5.84	-39.03
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300008032965	0	37	-1.0	-40.01	307.92	6.21	-33.80
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300008032966	0	44	-1.0	-45.95	360.96	6.21	-39.74
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300008032967	0	50	-1.0	-44.02	398.50	7.58	-36.44
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008032968	0	48	-1.0	-57.30	384.01	7.94	-49.36
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300008032969	0	47	-1.0	-44.22	379.54	6.97	-37.25
CCCOC1=CC=C(S(=O)(=O)N(CCC)C(C)C(=O)[O-])C=C1	REAL300008032970	0	44	-1.0	-43.99	360.24	6.35	-37.64
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300008032971	0	38	-1.0	-55.47	333.97	5.27	-50.20
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008032972	0	38	-1.0	-56.10	344.51	5.91	-50.19
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300008032973	0	41	-1.0	-57.64	338.01	5.45	-52.19
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300008032974	0	47	-1.0	-57.34	377.73	7.00	-50.34
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300008032975	0	41	-1.0	-54.25	322.54	5.24	-49.01
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300008032976	0	45	-1.0	-46.96	372.37	4.82	-42.14
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300008032977	0	37	-1.0	-57.27	313.21	6.03	-51.24
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300008032978	0	37	-1.0	-50.27	313.57	6.52	-43.75
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300008032979	0	42	-1.0	-41.71	318.13	7.27	-34.44
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300008032980	0	43	-1.0	-47.24	352.52	3.21	-44.03
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008032981	0	46	-1.0	-55.47	394.94	3.10	-52.37
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300008032982	0	42	-1.0	-49.45	363.99	1.50	-47.95
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC	REAL300008032983	0	42	-1.0	-61.05	340.66	3.28	-57.77
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N=C(C)S1	REAL300008032984	0	36	-1.0	-54.40	302.52	4.53	-49.87
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008032985	0	37	-1.0	-46.17	315.89	6.42	-39.75
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300008032986	0	38	-1.0	-54.54	324.16	4.79	-49.75
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008032987	0	44	-1.0	-59.91	356.37	9.52	-50.39
CCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008032988	0	37	-1.0	-54.72	341.36	7.00	-47.72
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300008032989	0	40	-1.0	-55.98	361.08	6.67	-49.31
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008032990	0	54	-1.0	-45.11	421.16	8.87	-36.24
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300008032991	0	42	-1.0	-54.65	338.15	7.42	-47.23
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300008032992	0	42	-1.0	-54.11	348.05	2.81	-51.30
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300008032993	0	44	-1.0	-56.17	337.66	6.36	-49.81
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008032994	0	45	-1.0	-59.13	372.58	9.57	-49.56
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300008032995	0	44	-1.0	-59.03	341.07	6.82	-52.21
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300008032996	0	42	-1.0	-53.01	326.77	6.24	-46.77
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008032997	0	39	-1.0	-47.30	310.79	5.42	-41.88
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300008032998	0	47	-1.0	-50.16	386.39	9.08	-41.08
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300008032999	0	39	-1.0	-52.50	328.18	6.01	-46.49
CCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008033000	0	41	-1.0	-45.74	357.50	5.94	-39.80
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300008035891	0	36	-1.0	-49.64	306.91	5.34	-44.30
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300008035892	0	43	-1.0	-52.90	360.04	5.63	-47.27
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300008035893	0	43	-1.0	-57.71	366.31	2.12	-55.59
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008035894	0	50	-1.0	-44.30	360.45	6.93	-37.37
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300008035895	0	40	-1.0	-65.31	327.71	6.67	-58.64
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008035896	0	40	-1.0	-61.66	339.49	7.11	-54.55
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008035897	0	43	-1.0	-54.35	350.82	3.66	-50.69
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300008035898	0	46	-1.0	-50.05	394.24	6.57	-43.48
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300008035899	0	46	-1.0	-50.55	388.31	6.65	-43.90
CCCN1C=NC(S(=O)(=O)N(CC)C2(C(=O)[O-])CC2)=C1	REAL300008035900	0	38	-1.0	-57.03	320.61	6.25	-50.78
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCOCCOCCOC	REAL300008035901	0	46	-1.0	-59.14	382.67	2.34	-56.80
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC(C)COC1CCCC1	REAL300008035902	0	48	-1.0	-63.79	380.18	7.22	-56.57
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300008035903	0	39	-1.0	-51.22	336.84	5.31	-45.91
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008035904	0	40	-1.0	-52.83	331.68	2.89	-49.94
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300008035905	0	36	-1.0	-51.32	319.16	4.90	-46.42
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008035906	0	36	-1.0	-48.89	316.73	5.61	-43.28
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300008035907	0	38	-1.0	-51.66	329.71	5.90	-45.76
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300008035908	0	38	-1.0	-53.51	319.61	6.74	-46.77
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300008035909	0	38	-1.0	-44.97	323.68	6.84	-38.13
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300008035910	0	38	-1.0	-51.02	328.61	6.67	-44.35
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300008035911	0	41	-1.0	-60.19	318.43	6.89	-53.30
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCN1CCOCC1	REAL300008035912	0	44	-1.0	-60.11	347.85	2.01	-58.10
CCOC1=CC=CC(S(=O)(=O)N(CC)C2(C(=O)[O-])CC2)=C1	REAL300008035913	0	39	-1.0	-60.01	319.80	5.73	-54.28
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CCOC)N=C1	REAL300008035914	0	39	-1.0	-53.31	333.40	2.76	-50.55
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008035915	0	39	-1.0	-52.65	342.57	5.92	-46.73
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CC)C2(C(=O)[O-])CC2)=C1C	REAL300008035916	0	59	-1.0	-45.38	463.54	9.95	-35.43
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008035917	0	40	-1.0	-60.11	349.04	7.37	-52.74
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008035918	0	37	-1.0	-53.12	309.62	5.81	-47.31
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008035919	0	35	-1.0	-42.18	317.55	6.67	-35.51
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC=C1Br	REAL300008035920	0	35	-1.0	-55.69	312.09	6.36	-49.33
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008035921	0	39	-1.0	-68.64	333.36	2.90	-65.74
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300008035922	0	35	-1.0	-50.17	311.10	6.77	-43.40
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300008035923	0	35	-1.0	-43.55	307.75	6.53	-37.02
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1COC	REAL300008035924	0	39	-1.0	-46.16	321.47	5.26	-40.90
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300008035925	0	36	-1.0	-51.32	324.10	5.12	-46.20
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300008035926	0	40	-1.0	-49.45	347.34	5.19	-44.26
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008035927	0	35	-1.0	-57.47	317.60	4.18	-53.29
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008035928	0	35	-1.0	-55.30	311.57	4.04	-51.26
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008035929	0	43	-1.0	-53.72	351.66	6.40	-47.32
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008035930	0	35	-1.0	-46.52	315.49	4.50	-42.02
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC)C1(C(=O)[O-])CC1	REAL300008035931	0	43	-1.0	-49.24	356.69	4.13	-45.11
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)C2(C(=O)[O-])CC2)C=C1	REAL300008035932	0	44	-1.0	-59.99	374.88	4.09	-55.90
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1SC	REAL300008035933	0	36	-1.0	-48.73	306.56	6.05	-42.68
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008035934	0	40	-1.0	-57.51	353.05	1.93	-55.58
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)C2(C(=O)[O-])CC2)C=C1	REAL300008035935	0	46	-1.0	-57.79	390.36	2.66	-55.13
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300008035936	0	43	-1.0	-84.34	361.01	5.67	-78.67
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300008035937	0	43	-1.0	-55.57	373.60	2.79	-52.78
CCC1=CC=C(CS(=O)(=O)N(CC)C2(C(=O)[O-])CC2)C=C1	REAL300008035938	0	41	-1.0	-60.04	338.90	7.18	-52.86
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CS1	REAL300008035939	0	35	-1.0	-56.14	310.39	5.80	-50.34
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008035940	0	47	-1.0	-56.52	387.93	5.59	-50.93
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008035941	0	44	-1.0	-57.10	359.51	4.97	-52.13
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300008035942	0	41	-1.0	-61.88	350.47	3.41	-58.47
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300008035943	0	42	-1.0	-62.47	361.25	2.78	-59.69
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(C)C(C)=C1	REAL300008035944	0	41	-1.0	-45.42	334.67	7.26	-38.16
CCOC1=CC=C(S(=O)(=O)N(CC)C2(C(=O)[O-])CC2)C=C1Br	REAL300008035945	0	39	-1.0	-52.55	345.96	6.04	-46.51
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300008035946	0	46	-1.0	-56.20	382.35	8.21	-47.99
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008035947	0	36	-1.0	-48.38	327.02	6.03	-42.35
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300008035948	0	39	-1.0	-59.26	343.91	5.60	-53.66
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)N1CCOC(C)(C)C1	REAL300008035949	0	41	-1.0	-52.60	313.52	3.07	-49.53
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008035950	0	46	-1.0	-53.85	381.34	7.45	-46.40
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300008035951	0	39	-1.0	-49.82	340.02	6.44	-43.38
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300008035952	0	44	-1.0	-55.66	359.13	7.03	-48.63
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCNS(=O)(=O)CC	REAL300008035953	0	39	-1.0	-63.35	338.04	-0.22	-63.57
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300008035954	0	38	-1.0	-50.10	330.64	6.30	-43.80
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008035955	0	35	-1.0	-54.43	327.43	6.83	-47.60
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300008035956	0	38	-1.0	-44.04	340.38	8.07	-35.97
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008035957	0	35	-1.0	-46.33	320.75	6.99	-39.34
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008035958	0	38	-1.0	-50.42	331.43	8.15	-42.27
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008035959	0	38	-1.0	-58.94	332.18	6.66	-52.28
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008035960	0	43	-1.0	-58.42	356.06	6.55	-51.87
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008035961	0	46	-1.0	-48.74	387.22	8.82	-39.92
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008035962	0	45	-1.0	-58.83	374.87	6.54	-52.29
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008035963	0	43	-1.0	-63.07	375.56	2.27	-60.80
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300008035964	0	41	-1.0	-58.14	332.73	7.51	-50.63
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300008035965	0	43	-1.0	-54.39	348.79	5.81	-48.58
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008035966	0	38	-1.0	-59.02	333.65	6.96	-52.06
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008035967	0	37	-1.0	-64.56	309.04	2.64	-61.92
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCOCC1CCCC1	REAL300008035968	0	45	-1.0	-55.51	358.93	5.49	-50.02
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300008035969	0	39	-1.0	-48.63	335.06	5.83	-42.80
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008035970	0	41	-1.0	-51.52	356.95	3.57	-47.95
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300008035971	0	36	-1.0	-52.42	329.40	6.62	-45.80
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC)C1(C(=O)[O-])CC1	REAL300008035972	0	44	-1.0	-50.98	350.21	5.67	-45.31
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008035973	0	40	-1.0	-52.46	345.35	3.68	-48.78
CCC1=NOC2=NC=C(S(=O)(=O)N(CC)C3(C(=O)[O-])CC3)C=C12	REAL300008035974	0	39	-1.0	-52.66	335.45	2.83	-49.83
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008035975	0	43	-1.0	-51.50	370.79	4.95	-46.55
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008035976	0	37	-1.0	-53.19	318.64	4.29	-48.90
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008035977	0	38	-1.0	-52.97	341.33	8.03	-44.94
CCC1=CC(CC)=C(S(=O)(=O)N(CC)C2(C(=O)[O-])CC2)C(CC)=C1	REAL300008035978	0	50	-1.0	-43.73	362.56	9.05	-34.68
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008035979	0	39	-1.0	-57.09	323.71	5.22	-51.87
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008035980	0	38	-1.0	-51.58	342.85	3.20	-48.38
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008035981	0	41	-1.0	-54.46	343.01	9.01	-45.45
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300008035982	0	39	-1.0	-45.98	319.60	5.18	-40.80
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1(C)CCCCC1	REAL300008035983	0	44	-1.0	-63.68	329.21	7.34	-56.34
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008035984	0	41	-1.0	-56.48	334.03	6.32	-50.16
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008035986	0	40	-1.0	-51.69	343.79	6.38	-45.31
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300008035987	0	39	-1.0	-52.22	340.38	5.23	-46.99
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300008035988	0	38	-1.0	-57.31	322.10	6.49	-50.82
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008035990	0	32	-1.0	-52.95	304.67	5.10	-47.85
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008035991	0	45	-1.0	-60.30	362.93	8.33	-51.97
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008035992	0	43	-1.0	-58.24	357.44	5.94	-52.30
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008035993	0	41	-1.0	-79.12	339.96	3.08	-76.04
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008035994	0	35	-1.0	-50.44	309.85	5.62	-44.82
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=C(C)N=CS1	REAL300008035995	0	37	-1.0	-56.76	324.13	4.45	-52.31
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC12CCC(CC1)C2	REAL300008035996	0	42	-1.0	-61.08	322.13	6.51	-54.57
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300008035997	0	44	-1.0	-54.23	351.23	6.58	-47.65
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC12CCC(CC1)CC2	REAL300008035998	0	45	-1.0	-43.76	331.24	7.38	-36.38
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008035999	0	43	-1.0	-66.21	347.43	2.15	-64.06
CCN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1CCCCC1(F)F	REAL300008036000	0	41	-1.0	-56.43	326.88	6.28	-50.15
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008038293	0	35	-1.0	-43.44	309.56	3.70	-39.74
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008038294	0	36	-1.0	-47.31	341.78	5.57	-41.74
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300008038295	0	42	-1.0	-61.28	367.18	3.97	-57.31
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300008038296	0	42	-1.0	-55.80	368.09	0.88	-54.92
CCC[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008038297	0	49	-1.0	-52.56	352.82	5.02	-47.54
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300008038298	0	39	-1.0	-62.62	338.48	5.15	-57.47
CCC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008038299	0	39	-1.0	-66.73	341.43	5.67	-61.06
CCC[C@@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008038300	0	42	-1.0	-54.73	354.99	2.31	-52.42
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300008038301	0	45	-1.0	-45.77	399.90	4.91	-40.86
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300008038302	0	45	-1.0	-61.00	394.74	5.12	-55.88
CCC[C@@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300008038303	0	47	-1.0	-56.90	377.18	5.16	-51.74
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300008038304	0	46	-1.0	-43.77	397.89	5.21	-38.56
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008038305	0	38	-1.0	-52.00	344.99	4.08	-47.92
CCC[C@@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008038306	0	39	-1.0	-51.65	335.81	1.53	-50.12
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300008038307	0	35	-1.0	-52.37	327.77	3.69	-48.68
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008038308	0	35	-1.0	-43.72	322.30	3.94	-39.78
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300008038309	0	37	-1.0	-49.94	332.50	4.50	-45.44
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300008038310	0	37	-1.0	-51.08	327.92	5.57	-45.51
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300008038311	0	37	-1.0	-55.64	327.49	5.60	-50.04
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008038312	0	37	-1.0	-49.91	331.45	5.27	-44.64
CCC[C@@H](NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300008038313	0	38	-1.0	-53.70	328.11	4.01	-49.69
CCC[C@@H](NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300008038314	0	38	-1.0	-54.53	337.31	1.41	-53.12
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008038315	0	38	-1.0	-58.34	341.11	4.33	-54.01
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])=C1C	REAL300008038316	0	58	-1.0	-51.02	460.71	8.22	-42.80
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300008038317	0	45	-1.0	-54.53	386.94	1.67	-52.86
CCC[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008038318	0	39	-1.0	-57.98	350.10	5.95	-52.03
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008038319	0	36	-1.0	-52.52	318.17	4.14	-48.38
CCC[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008038320	0	34	-1.0	-57.47	321.67	5.10	-52.37
CCC[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008038321	0	34	-1.0	-55.45	317.10	5.05	-50.40
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008038322	0	38	-1.0	-65.06	341.50	1.66	-63.40
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300008038323	0	34	-1.0	-50.62	319.47	5.07	-45.55
CCC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300008038324	0	34	-1.0	-51.34	306.38	4.95	-46.39
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300008038325	0	38	-1.0	-53.08	319.99	3.79	-49.29
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300008038326	0	35	-1.0	-50.56	326.89	3.73	-46.83
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300008038327	0	39	-1.0	-57.85	350.79	3.52	-54.33
CCC[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008038328	0	34	-1.0	-58.41	321.76	2.84	-55.57
CCC[C@@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008038329	0	34	-1.0	-57.66	315.73	2.66	-55.00
CCC[C@@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008038330	0	42	-1.0	-53.52	354.48	5.03	-48.49
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008038331	0	34	-1.0	-45.95	316.34	2.87	-43.08
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300008038332	0	34	-1.0	-51.22	322.35	5.40	-45.82
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300008038333	0	43	-1.0	-57.60	380.65	2.99	-54.61
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C(=O)[O-]	REAL300008038334	0	48	-1.0	-55.22	413.55	3.50	-51.72
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300008038335	0	35	-1.0	-58.46	310.93	4.79	-53.67
CCC[C@@H](NS(=O)(=O)C1=CC=C(CNS(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300008038336	0	48	-1.0	-64.55	419.91	2.27	-62.28
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008038337	0	39	-1.0	-55.59	355.71	0.56	-55.03
CCC[C@@H](NS(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1)C(=O)[O-]	REAL300008038338	0	45	-1.0	-60.54	412.84	1.44	-59.10
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC)C(=O)[O-]	REAL300008038339	0	46	-1.0	-63.95	403.79	1.20	-62.75
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300008038340	0	45	-1.0	-51.27	397.30	2.26	-49.01
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008038341	0	42	-1.0	-63.28	339.21	3.63	-59.65
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C(F)=C1)C(=O)[O-]	REAL300008038342	0	45	-1.0	-54.36	398.67	2.24	-52.12
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300008038343	0	46	-1.0	-64.68	369.34	4.49	-60.19
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300008038344	0	42	-1.0	-54.57	377.17	1.45	-53.12
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008038345	0	46	-1.0	-57.02	390.50	4.22	-52.80
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008038346	0	43	-1.0	-56.56	364.11	3.88	-52.68
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300008038347	0	40	-1.0	-62.90	359.17	2.18	-60.72
CCC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300008038348	0	41	-1.0	-48.12	363.84	1.16	-46.96
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300008038349	0	38	-1.0	-54.44	348.76	4.66	-49.78
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008038350	0	45	-1.0	-57.12	385.17	6.83	-50.29
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008038351	0	35	-1.0	-43.62	332.62	4.39	-39.23
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008038352	0	37	-1.0	-52.51	357.22	1.91	-50.60
CCC[C@@H](NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300008038353	0	38	-1.0	-57.12	346.55	4.35	-52.77
CCC[C@@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008038354	0	45	-1.0	-52.92	390.06	5.71	-47.21
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300008038355	0	38	-1.0	-57.54	344.67	4.83	-52.71
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300008038356	0	43	-1.0	-54.40	367.50	5.33	-49.07
CCC[C@@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300008038357	0	38	-1.0	-60.41	340.72	-1.50	-61.91
CCC[C@@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008038358	0	37	-1.0	-52.19	331.36	4.91	-47.28
CCC[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008038359	0	34	-1.0	-52.22	332.96	5.75	-46.47
CCC[C@@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008038360	0	37	-1.0	-56.94	345.18	6.71	-50.23
CCC[C@@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008038361	0	34	-1.0	-52.36	329.68	5.63	-46.73
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008038362	0	37	-1.0	-57.39	332.81	6.57	-50.82
CCC[C@@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008038363	0	37	-1.0	-55.65	337.98	5.55	-50.10
CCC[C@@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008038364	0	42	-1.0	-57.49	358.02	5.10	-52.39
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008038365	0	45	-1.0	-43.77	390.56	7.22	-36.55
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008038366	0	44	-1.0	-60.11	384.39	5.34	-54.77
CCC[C@@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008038367	0	42	-1.0	-60.06	376.62	0.84	-59.22
CCC[C@@H](NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300008038368	0	40	-1.0	-56.34	348.95	6.81	-49.53
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300008038369	0	42	-1.0	-52.96	351.90	4.43	-48.53
CCC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008038370	0	37	-1.0	-57.48	338.21	5.69	-51.79
CCC[C@@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008038371	0	36	-1.0	-58.13	308.09	0.84	-57.29
CCC[C@@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008038372	0	44	-1.0	-53.56	361.61	4.23	-49.33
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300008038373	0	38	-1.0	-55.44	333.57	4.29	-51.15
CCC[C@@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008038374	0	40	-1.0	-69.87	361.08	2.00	-67.87
CCC[C@@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300008038375	0	35	-1.0	-50.52	332.20	5.23	-45.29
CCC[C@@H](NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300008038376	0	43	-1.0	-51.75	354.25	4.27	-47.48
CCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008038377	0	39	-1.0	-51.97	348.03	2.34	-49.63
CCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300008038378	0	38	-1.0	-48.13	338.06	1.50	-46.63
CCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008038379	0	42	-1.0	-51.36	373.34	3.59	-47.77
CCC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300008038380	0	36	-1.0	-51.23	321.37	2.88	-48.35
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300008038381	0	37	-1.0	-52.76	344.15	6.65	-46.11
CCC[C@@H](NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300008038382	0	49	-1.0	-52.76	371.83	8.30	-44.46
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC)C(=O)[O-]	REAL300008038383	1	46	-1.0	-66.07	394.61	0.89	-65.18
CCC[C@@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300008038384	0	38	-1.0	-60.85	320.32	4.14	-56.71
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008038385	0	37	-1.0	-50.63	345.68	1.83	-48.80
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008038386	0	40	-1.0	-65.72	340.52	7.44	-58.28
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300008038387	0	38	-1.0	-51.43	323.24	3.95	-47.48
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008038388	0	40	-1.0	-54.99	338.64	5.22	-49.77
CCC[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008038390	0	39	-1.0	-50.90	346.30	5.04	-45.86
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300008038391	0	38	-1.0	-51.63	348.56	4.02	-47.61
CCC[C@@H](NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300008038392	0	37	-1.0	-60.69	327.35	5.17	-55.52
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008038394	0	31	-1.0	-50.85	310.07	4.01	-46.84
CCC[C@@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008038395	0	44	-1.0	-59.67	364.16	6.99	-52.68
CCC[C@@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008038396	0	42	-1.0	-56.45	358.74	4.49	-51.96
CCC[C@@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008038397	0	40	-1.0	-66.45	338.00	0.91	-65.54
CCC[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008038398	0	34	-1.0	-53.24	314.40	4.26	-48.98
CCC[C@@H](NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300008038399	0	36	-1.0	-55.69	325.64	2.98	-52.71
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300008038400	0	43	-1.0	-53.97	361.89	5.53	-48.44
CCC[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008038401	0	42	-1.0	-62.88	349.87	0.89	-61.99
CCC[C@@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300008038402	0	40	-1.0	-53.69	330.02	4.94	-48.75
CCC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C(=O)[O-]	REAL300008038403	0	46	-1.0	-52.77	400.41	7.01	-45.76
CCC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300008038404	0	50	-1.0	-51.18	418.50	4.52	-46.66
CCC[C@@H](NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008038405	0	39	-1.0	-59.12	339.30	5.62	-53.50
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008038406	0	31	-1.0	-50.36	298.06	4.41	-45.95
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008038407	0	33	-1.0	-49.51	305.21	4.43	-45.08
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300008038408	0	37	-1.0	-55.19	322.89	6.04	-49.15
CCC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008038409	0	33	-1.0	-50.95	305.01	4.46	-46.49
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300008038410	0	36	-1.0	-59.34	317.17	5.28	-54.06
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008038411	0	33	-1.0	-60.02	291.62	5.25	-54.77
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300008038412	0	38	-1.0	-43.26	346.29	5.20	-38.06
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300008038413	0	38	-1.0	-53.42	328.10	4.01	-49.41
CCC[C@@H](NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300008038414	0	43	-1.0	-53.31	337.71	6.38	-46.93
CCC[C@@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300008038415	0	46	-1.0	-56.88	365.22	6.90	-49.98
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008038416	0	34	-1.0	-50.68	315.48	4.79	-45.89
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008038417	0	34	-1.0	-59.61	294.67	4.55	-55.06
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008038418	0	37	-1.0	-51.80	332.27	4.53	-47.27
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300008038419	0	43	-1.0	-53.33	352.97	6.11	-47.22
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300008038420	0	48	-1.0	-54.78	413.50	3.50	-51.28
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008038421	0	42	-1.0	-55.48	372.59	1.77	-53.71
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300008038422	0	35	-1.0	-51.08	326.90	3.73	-47.35
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008038423	0	37	-1.0	-48.52	354.83	5.79	-42.73
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300008038424	0	34	-1.0	-50.50	316.25	4.97	-45.53
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300008038425	0	45	-1.0	-52.14	386.86	7.32	-44.82
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008038426	0	35	-1.0	-51.03	322.96	3.56	-47.47
CCC[C@@H](NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300008038427	0	46	-1.0	-55.31	351.83	6.95	-48.36
CCC[C@@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008038428	0	40	-1.0	-55.76	339.81	3.70	-52.06
CCC[C@@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300008038429	0	47	-1.0	-46.28	379.32	5.96	-40.32
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300008038430	0	38	-1.0	-53.46	352.22	6.16	-47.30
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008038431	0	36	-1.0	-59.14	320.95	4.98	-54.16
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300008038432	0	35	-1.0	-43.91	327.45	4.22	-39.69
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300008038433	0	49	-1.0	-52.48	380.96	7.71	-44.77
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008038434	0	34	-1.0	-50.25	315.76	4.76	-45.49
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300008038435	0	41	-1.0	-54.02	339.76	6.26	-47.76
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300008038436	0	39	-1.0	-47.00	332.64	2.95	-44.05
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300008038437	0	39	-1.0	-54.77	335.72	2.97	-51.80
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300008038438	0	39	-1.0	-54.41	332.62	6.22	-48.19
CCC[C@@H](NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300008038439	0	46	-1.0	-53.67	380.44	7.28	-46.39
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300008038440	0	45	-1.0	-54.70	379.43	4.81	-49.89
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008038441	0	36	-1.0	-56.90	331.17	-1.27	-58.17
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300008038442	0	39	-1.0	-58.85	334.85	5.83	-53.02
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300008038443	0	39	-1.0	-61.44	338.12	5.20	-56.24
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008038444	0	37	-1.0	-56.11	320.95	4.54	-51.57
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300008038445	0	35	-1.0	-53.84	322.05	4.19	-49.65
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008038446	0	36	-1.0	-61.78	330.95	-1.25	-63.03
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008038447	0	43	-1.0	-56.35	386.04	1.62	-54.73
CCC[C@@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300008038448	0	39	-1.0	-54.26	346.18	5.27	-48.99
CCC[C@@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300008038449	0	40	-1.0	-51.83	323.82	4.70	-47.13
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300008038450	0	39	-1.0	-54.87	331.25	4.99	-49.88
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008038451	0	39	-1.0	-58.22	330.44	6.49	-51.73
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008038452	0	42	-1.0	-60.55	372.51	1.76	-58.79
CCC[C@@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008038453	0	43	-1.0	-66.84	363.76	3.12	-63.72
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008038454	0	37	-1.0	-63.44	337.71	1.28	-62.16
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008038455	0	41	-1.0	-57.04	340.35	7.59	-49.45
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008038456	0	37	-1.0	-57.18	315.93	6.05	-51.13
CCC[C@@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008038457	0	41	-1.0	-54.23	350.93	7.20	-47.03
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008038458	0	45	-1.0	-54.72	369.33	5.90	-48.82
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008038459	0	32	-1.0	-55.77	301.86	2.17	-53.60
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300008038460	0	35	-1.0	-43.95	322.88	4.12	-39.83
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300008038461	0	46	-1.0	-53.32	367.20	6.57	-46.75
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300008038462	0	34	-1.0	-51.01	312.22	4.89	-46.12
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300008038463	0	41	-1.0	-53.55	346.24	4.61	-48.94
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008038464	0	36	-1.0	-51.94	330.37	6.26	-45.68
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008038465	0	36	-1.0	-51.02	314.64	4.45	-46.57
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008038466	0	42	-1.0	-54.40	382.50	7.16	-47.24
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300008038467	0	37	-1.0	-51.51	333.53	4.33	-47.18
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300008038468	0	35	-1.0	-51.17	312.71	3.14	-48.03
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008038469	0	42	-1.0	-52.46	382.16	7.15	-45.31
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300008038470	0	46	-1.0	-54.37	395.21	5.91	-48.46
CCC[C@@H](NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300008038471	0	58	-1.0	-53.46	434.66	9.52	-43.94
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300008038472	0	47	-1.0	-55.61	384.58	7.02	-48.59
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008038473	0	34	-1.0	-56.60	332.30	5.45	-51.15
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300008038474	0	41	-1.0	-56.05	344.38	5.44	-50.61
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1)C(=O)[O-]	REAL300008038475	0	47	-1.0	-57.47	396.52	1.41	-56.06
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008038476	0	36	-1.0	-50.14	317.40	5.24	-44.90
CCC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008038477	0	36	-1.0	-50.53	311.87	5.11	-45.42
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300008038478	0	39	-1.0	-59.78	334.47	6.09	-53.69
CCC[C@@H](NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300008038479	0	43	-1.0	-53.72	357.89	6.47	-47.25
CCC[C@@H](NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300008038480	0	41	-1.0	-53.74	353.31	4.30	-49.44
CCC[C@@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300008038481	0	43	-1.0	-52.68	348.57	1.09	-51.59
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300008038482	0	34	-1.0	-55.25	305.73	5.11	-50.14
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300008038483	0	41	-1.0	-52.58	350.33	4.67	-47.91
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300008038484	0	47	-1.0	-53.04	388.91	6.09	-46.95
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008038485	0	45	-1.0	-52.19	371.40	6.00	-46.19
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300008038486	0	44	-1.0	-53.02	369.70	5.51	-47.51
CCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1	REAL300008038487	0	41	-1.0	-53.21	349.84	4.78	-48.43
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300008038488	0	35	-1.0	-51.10	322.52	3.62	-47.48
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300008038489	0	35	-1.0	-53.24	332.27	3.88	-49.36
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300008038490	0	38	-1.0	-54.24	326.59	3.80	-50.44
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300008038491	0	44	-1.0	-53.45	366.14	5.38	-48.07
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300008038492	0	38	-1.0	-54.20	318.50	3.89	-50.31
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300008038493	0	42	-1.0	-55.56	361.73	3.28	-52.28
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008038494	0	34	-1.0	-51.62	310.33	5.19	-46.43
CCC[C@@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300008038495	0	39	-1.0	-57.47	324.51	6.60	-50.87
CCC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300008038496	0	40	-1.0	-65.69	349.90	2.10	-63.59
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300008038497	0	43	-1.0	-55.10	385.76	1.63	-53.47
CCC[C@@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300008038498	0	34	-1.0	-53.11	312.64	5.13	-47.98
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300008038499	0	35	-1.0	-51.07	312.70	3.13	-47.94
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008038500	0	41	-1.0	-54.66	351.22	7.18	-47.48
CCC[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008038501	0	34	-1.0	-55.09	334.09	5.48	-49.61
CCC[C@@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300008038502	0	37	-1.0	-53.68	356.93	4.37	-49.31
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300008038503	0	51	-1.0	-51.99	411.32	7.40	-44.59
CCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300008038504	0	39	-1.0	-55.01	341.66	1.44	-53.57
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300008038505	0	41	-1.0	-50.30	329.25	4.48	-45.82
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008038506	0	42	-1.0	-54.44	360.96	7.90	-46.54
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300008038507	0	41	-1.0	-55.12	337.52	4.48	-50.64
CCC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300008038508	0	39	-1.0	-55.21	322.33	4.95	-50.26
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300008038509	0	36	-1.0	-56.67	311.53	4.25	-52.42
CCC[C@@H](NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008038510	0	36	-1.0	-54.00	325.73	4.60	-49.40
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008038511	0	38	-1.0	-55.41	347.91	4.45	-50.96
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008038512	0	45	-1.0	-53.51	388.00	7.07	-46.44
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300008038513	0	39	-1.0	-58.92	339.83	5.05	-53.87
CCC[C@@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008038514	0	41	-1.0	-56.59	363.57	5.36	-51.23
CCC[C@@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300008038515	0	53	-1.0	-53.19	406.60	6.43	-46.76
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008038516	0	39	-1.0	-58.13	350.55	0.47	-57.66
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008038517	0	46	-1.0	-62.09	398.97	2.90	-59.19
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300008038518	0	44	-1.0	-55.59	366.23	6.36	-49.23
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300008038519	0	41	-1.0	-58.72	348.53	5.24	-53.48
CCC[C@@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008038520	0	36	-1.0	-69.90	325.36	3.93	-65.97
CCC[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008038521	0	38	-1.0	-52.57	338.33	4.90	-47.67
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300008038522	0	45	-1.0	-55.56	383.58	4.25	-51.31
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1	REAL300008038523	0	47	-1.0	-53.18	392.84	6.35	-46.83
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300008038524	0	41	-1.0	-55.12	328.98	6.29	-48.83
CCC[C@@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300008038525	0	35	-1.0	-51.93	333.36	5.22	-46.71
CCC[C@@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008038526	0	39	-1.0	-62.21	340.51	5.01	-57.20
CCC[C@@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008038527	0	36	-1.0	-54.79	325.26	3.95	-50.84
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300008038528	0	41	-1.0	-53.63	340.20	4.84	-48.79
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008038529	0	35	-1.0	-55.73	314.84	3.93	-51.80
CCC[C@@H](NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300008038530	0	35	-1.0	-52.53	317.18	4.78	-47.75
CCC[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008038531	0	37	-1.0	-58.98	339.36	5.46	-53.52
CCC[C@@H](NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300008038532	0	42	-1.0	-55.93	348.05	5.66	-50.27
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008038533	0	37	-1.0	-48.13	320.88	3.52	-44.61
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300008038534	0	36	-1.0	-54.47	311.27	4.17	-50.30
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300008038535	0	43	-1.0	-56.34	371.92	5.80	-50.54
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300008038536	0	37	-1.0	-50.71	331.45	5.28	-45.43
CCC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300008038537	0	37	-1.0	-55.66	340.99	4.72	-50.94
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008038538	0	40	-1.0	-56.43	341.59	5.38	-51.05
CCC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300008038539	0	39	-1.0	-50.82	343.34	3.48	-47.34
CCC[C@@H](NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300008038540	0	38	-1.0	-54.92	331.85	3.51	-51.41
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008038541	0	42	-1.0	-59.21	354.53	5.09	-54.12
CCC[C@@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008038542	0	34	-1.0	-55.76	313.87	4.94	-50.82
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300008038543	0	39	-1.0	-57.57	354.96	3.67	-53.90
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300008038544	0	39	-1.0	-56.35	335.83	4.44	-51.91
CCC[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008038545	0	34	-1.0	-56.60	327.67	5.38	-51.22
CCC[C@@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008038546	0	39	-1.0	-53.10	333.69	4.40	-48.70
CCC[C@@H](NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300008038547	0	43	-1.0	-53.06	328.68	6.83	-46.23
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300008038548	0	43	-1.0	-60.09	362.30	2.70	-57.39
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300008038549	0	42	-1.0	-52.89	382.16	7.15	-45.74
CCC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008038550	0	37	-1.0	-56.47	334.45	4.66	-51.81
CCC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300008038551	0	37	-1.0	-54.92	351.11	5.19	-49.73
CCC[C@@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300008038552	0	40	-1.0	-55.65	353.38	2.84	-52.81
CCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008038553	0	34	-1.0	-52.18	311.43	2.57	-49.61
CCC[C@@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300008038554	0	34	-1.0	-54.79	303.11	2.42	-52.37
CCC[C@@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300008038555	0	39	-1.0	-54.14	330.49	4.41	-49.73
CCC[C@@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300008038556	0	41	-1.0	-52.24	359.68	5.56	-46.68
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008038557	0	39	-1.0	-50.37	350.57	4.91	-45.46
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300008038558	0	36	-1.0	-48.76	321.01	4.97	-43.79
CCC[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300008038559	0	42	-1.0	-58.66	365.56	4.54	-54.12
CCC[C@@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008038560	0	33	-1.0	-51.79	308.80	3.27	-48.52
CCC[C@@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300008038561	0	39	-1.0	-55.62	329.23	4.21	-51.41
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300008038562	0	40	-1.0	-54.96	344.25	6.69	-48.27
CCC[C@@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300008038563	0	39	-1.0	-54.45	327.86	4.18	-50.27
CCC[C@@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300008038564	0	36	-1.0	-57.95	323.98	3.81	-54.14
CCC[C@@H](NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008038565	0	37	-1.0	-55.20	338.85	5.77	-49.43
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008038566	0	43	-1.0	-56.01	351.01	4.34	-51.67
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008038567	0	33	-1.0	-50.81	311.76	2.97	-47.84
CCC[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300008038568	0	39	-1.0	-62.52	329.02	4.35	-58.17
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008038569	0	39	-1.0	-49.50	333.25	5.77	-43.73
CCC[C@@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300008038570	0	39	-1.0	-58.34	332.63	6.83	-51.51
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300008038571	0	39	-1.0	-59.72	336.31	5.88	-53.84
CCC[C@@H](NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008038572	0	41	-1.0	-56.59	351.63	4.55	-52.04
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008038573	0	40	-1.0	-54.23	350.53	5.47	-48.76
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300008038574	0	39	-1.0	-55.78	335.76	2.39	-53.39
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300008038575	0	37	-1.0	-55.30	314.92	3.27	-52.03
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300008038576	0	35	-1.0	-50.74	322.50	3.62	-47.12
CCC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008038577	0	39	-1.0	-66.97	328.87	5.70	-61.27
CCC[C@@H](NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300008038578	0	43	-1.0	-54.80	354.04	6.33	-48.47
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008038579	0	39	-1.0	-47.36	332.20	6.02	-41.34
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300008038580	0	41	-1.0	-58.81	338.87	5.56	-53.25
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300008038581	0	32	-1.0	-50.69	298.68	1.76	-48.93
CCC[C@@H](NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300008038582	0	38	-1.0	-55.15	325.60	3.58	-51.57
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300008038583	0	37	-1.0	-60.68	320.79	5.31	-55.37
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300008038584	0	34	-1.0	-46.14	304.44	2.46	-43.68
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300008038585	0	37	-1.0	-50.31	323.79	5.12	-45.19
CCC[C@@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300008038586	0	38	-1.0	-55.70	332.78	3.54	-52.16
CCC[C@@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300008038587	0	33	-1.0	-58.68	308.26	3.33	-55.35
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008038588	0	34	-1.0	-55.68	317.11	5.00	-50.68
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300008038589	0	34	-1.0	-50.64	312.22	4.89	-45.75
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300008038590	0	37	-1.0	-65.30	325.10	4.74	-60.56
CCC[C@@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300008038591	0	40	-1.0	-54.33	362.98	5.25	-49.08
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300008038592	0	39	-1.0	-58.70	329.12	5.06	-53.64
CCC[C@@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300008038593	0	38	-1.0	-61.19	341.89	1.64	-59.55
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300008038594	0	40	-1.0	-49.95	337.12	4.18	-45.77
CCC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300008038595	0	34	-1.0	-55.32	320.26	5.02	-50.30
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1	REAL300008038596	0	56	-1.0	-52.86	457.09	8.71	-44.15
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CCC)C(=O)[O-]	REAL300008038597	0	41	-1.0	-43.14	367.79	6.00	-37.14
CCC[C@@H](NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300008038598	0	44	-1.0	-52.50	366.79	5.46	-47.04
CCC[C@@H](NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300008038599	0	44	-1.0	-55.31	354.01	4.07	-51.24
CCC[C@@H](NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300008038600	0	47	-1.0	-53.52	367.49	4.57	-48.95
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300008038601	0	45	-1.0	-51.96	394.47	7.12	-44.84
CCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1C(C)C	REAL300008038602	0	50	-1.0	-53.80	408.45	6.81	-46.99
CCC[C@@H](NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300008038603	0	44	-1.0	-63.11	376.92	5.75	-57.36
CCC[C@@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300008038604	0	34	-1.0	-51.38	317.39	3.33	-48.05
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008038605	0	39	-1.0	-50.35	337.21	6.16	-44.19
CCC[C@@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300008038606	0	38	-1.0	-50.66	321.08	3.56	-47.10
CCC[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300008038607	0	44	-1.0	-50.49	380.09	6.08	-44.41
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300008038608	0	34	-1.0	-47.37	318.31	2.46	-44.91
CCC[C@@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008038609	0	42	-1.0	-56.64	377.35	7.87	-48.77
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300008038610	0	41	-1.0	-58.41	341.81	7.11	-51.30
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300008038611	0	51	-1.0	-53.59	432.35	8.66	-44.93
CCC[C@@H](NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300008038612	0	44	-1.0	-55.40	359.92	5.38	-50.02
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008038613	0	37	-1.0	-49.90	348.21	5.64	-44.26
CCC[C@@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008038614	1	33	-1.0	-61.00	305.07	2.81	-58.19
CCC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300008038615	0	40	-1.0	-55.49	328.74	6.94	-48.55
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300008038616	0	40	-1.0	-51.32	345.98	2.31	-49.01
CCC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300008038617	0	35	-1.0	-52.15	311.21	3.90	-48.25
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008038618	0	47	-1.0	-54.33	386.95	6.01	-48.32
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300008038619	0	43	-1.0	-53.89	354.98	6.06	-47.83
CCC[C@@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008038620	0	50	-1.0	-56.89	402.48	8.28	-48.61
CCC[C@@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300008038621	0	41	-1.0	-50.51	334.35	3.77	-46.74
CCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300008038622	0	43	-1.0	-55.69	338.18	3.76	-51.93
CCC[C@@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300008038623	0	41	-1.0	-53.82	344.96	4.15	-49.67
CCC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300008038624	0	34	-1.0	-45.20	306.97	2.59	-42.61
CCC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008038625	0	38	-1.0	-58.01	334.96	3.92	-54.09
C=CCCC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1	REAL300008038626	0	41	-1.0	-53.74	354.19	6.55	-47.19
CCCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1C(C)C	REAL300008038627	0	53	-1.0	-52.18	429.95	7.60	-44.58
CCC[C@@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008038628	0	35	-1.0	-52.67	326.62	5.53	-47.14
CCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1C(C)(C)C	REAL300008038629	0	53	-1.0	-54.14	421.01	7.48	-46.66
CCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1CC	REAL300008038630	0	47	-1.0	-53.34	391.30	6.30	-47.04
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300008038631	0	37	-1.0	-47.83	316.23	5.72	-42.11
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008038632	0	37	-1.0	-54.80	336.01	5.75	-49.05
CCC[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008038633	0	35	-1.0	-54.24	324.37	5.43	-48.81
CCC[C@@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008038634	0	47	-1.0	-55.32	387.98	6.50	-48.82
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300008038635	0	36	-1.0	-56.81	311.45	4.16	-52.65
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300008038636	0	46	-1.0	-53.78	405.66	7.65	-46.13
CCC[C@@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300008038637	0	38	-1.0	-54.75	327.73	3.45	-51.30
CCC[C@@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300008038638	0	38	-1.0	-49.34	320.93	3.52	-45.82
CCC[C@@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300008038639	0	41	-1.0	-49.15	342.76	4.28	-44.87
CCC[C@@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300008038640	0	42	-1.0	-58.01	346.38	1.92	-56.09
CCC[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300008038641	0	37	-1.0	-52.78	344.47	4.72	-48.06
CCC[C@@H](NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300008038642	0	38	-1.0	-54.56	311.15	3.39	-51.17
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1C(C)C	REAL300008038643	0	56	-1.0	-52.17	451.45	8.38	-43.79
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300008038644	0	47	-1.0	-57.71	369.51	5.22	-52.49
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300008038645	0	41	-1.0	-44.66	352.50	5.21	-39.45
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008038646	0	54	-1.0	-55.91	442.19	6.26	-49.65
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300008038647	0	39	-1.0	-58.47	334.61	4.45	-54.02
CCC[C@@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008038648	0	39	-1.0	-51.40	346.56	3.46	-47.94
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300008038649	0	37	-1.0	-57.60	326.83	4.30	-53.30
CCC[C@@H](NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300008038650	0	36	-1.0	-62.59	315.04	3.33	-59.26
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300008038651	0	34	-1.0	-55.87	316.44	5.23	-50.64
CCC[C@@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300008038652	0	38	-1.0	-48.15	325.37	3.47	-44.68
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300008038653	0	40	-1.0	-50.00	328.30	5.99	-44.01
CCC[C@@H](NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300008038654	0	39	-1.0	-54.85	333.94	3.67	-51.18
CCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300008038655	0	44	-1.0	-53.65	360.50	4.55	-49.10
CCC[C@@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300008038656	0	43	-1.0	-54.97	352.82	4.32	-50.65
CCCCN1C=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C(C)=N1	REAL300008038657	0	43	-1.0	-52.76	365.09	4.40	-48.36
CCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300008038658	0	38	-1.0	-53.98	332.65	3.58	-50.40
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300008038659	0	35	-1.0	-53.81	316.24	3.34	-50.47
CCC[C@@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300008038660	0	36	-1.0	-55.39	322.32	2.25	-53.14
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300008038661	0	37	-1.0	-54.68	328.01	5.64	-49.04
CCC[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300008038662	0	37	-1.0	-49.70	345.84	4.94	-44.76
CCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300008038663	0	41	-1.0	-53.77	347.04	4.06	-49.71
CCC[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300008038664	0	49	-1.0	-57.98	378.10	7.09	-50.89
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300008038665	0	37	-1.0	-50.52	347.99	5.66	-44.86
CCC[C@@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300008038666	0	41	-1.0	-51.64	351.69	4.42	-47.22
CCC[C@@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300008038667	0	35	-1.0	-55.92	308.33	4.66	-51.26
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300008038668	0	42	-1.0	-57.10	375.25	6.68	-50.42
CCC[C@@H](NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008038669	0	40	-1.0	-71.79	340.39	5.18	-66.61
CCC[C@@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300008038670	0	38	-1.0	-51.18	321.43	3.25	-47.93
CCC[C@@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300008038671	0	40	-1.0	-50.20	319.39	3.61	-46.59
CCC[C@@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300008038672	0	40	-1.0	-51.80	341.96	3.51	-48.29
CCC[C@@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300008038673	0	38	-1.0	-52.39	324.10	2.74	-49.65
CCC[C@@H](NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008038674	0	36	-1.0	-47.35	328.01	3.59	-43.76
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008038675	0	34	-1.0	-49.02	321.91	4.85	-44.17
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CCC)C(=O)[O-])=C1	REAL300008038676	0	42	-1.0	-58.71	361.57	5.80	-52.91
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300008038677	0	42	-1.0	-55.69	346.07	6.89	-48.80
CCC[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300008038678	0	37	-1.0	-51.60	340.09	4.85	-46.75
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300008038679	0	41	-1.0	-51.25	373.19	4.54	-46.71
CCC[C@@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300008038680	0	31	-1.0	-52.52	291.03	3.95	-48.57
CCC[C@@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300008038681	0	41	-1.0	-49.76	342.60	4.39	-45.37
CCC[C@@H](NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300008038682	0	40	-1.0	-49.57	336.16	3.66	-45.91
CCC[C@@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300008038683	0	45	-1.0	-55.02	337.53	4.34	-50.68
CCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300008038684	0	45	-1.0	-52.68	366.93	2.65	-50.03
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300008038685	0	37	-1.0	-52.13	330.00	5.32	-46.81
CCC[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300008038686	0	35	-1.0	-53.43	316.25	3.34	-50.09
CCC[C@@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300008038687	0	46	-1.0	-54.11	372.18	6.43	-47.68
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008038688	0	42	-1.0	-61.75	343.83	5.85	-55.90
CCC[C@@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300008038689	0	39	-1.0	-53.76	332.23	3.88	-49.88
CCC[C@@H](NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300008038690	0	41	-1.0	-55.16	353.95	4.46	-50.70
CCC[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300008038691	0	34	-1.0	-53.45	336.60	5.82	-47.63
CCC[C@@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300008038692	0	41	-1.0	-51.16	357.44	4.97	-46.19
CCC[C@@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300008038693	0	44	-1.0	-53.97	364.22	4.72	-49.25
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008038694	0	42	-1.0	-52.39	365.65	6.62	-45.77
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300008038695	0	37	-1.0	-50.97	334.70	5.51	-45.46
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300008038696	0	40	-1.0	-57.85	334.10	6.58	-51.27
CCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008038697	0	41	-1.0	-55.04	346.32	5.07	-49.97
CCC[C@@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300008038698	0	35	-1.0	-53.61	316.54	5.07	-48.54
CCC[C@@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008038699	0	35	-1.0	-52.62	331.18	5.63	-46.99
CCC[C@@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008038700	0	35	-1.0	-53.00	331.42	5.62	-47.38
CCC[C@@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300008038701	0	36	-1.0	-62.64	319.82	-2.28	-64.92
CCC[C@@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300008038702	0	33	-1.0	-53.01	307.66	3.18	-49.83
CCC[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008038703	0	40	-1.0	-59.89	349.82	3.38	-56.51
CCC[C@@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300008038704	0	48	-1.0	-57.29	353.62	6.65	-50.64
CCC[C@@H](NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300008038705	0	39	-1.0	-53.82	315.62	4.22	-49.60
CCC[C@@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300008038706	0	39	-1.0	-65.72	347.35	0.57	-65.15
CCC[C@@H](NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300008038707	0	44	-1.0	-57.66	351.14	4.10	-53.56
CCC[C@@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008038708	0	35	-1.0	-58.78	324.61	2.81	-55.97
CCC[C@@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300008038709	0	41	-1.0	-57.35	358.56	6.63	-50.72
CCC[C@@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300008038710	0	40	-1.0	-61.57	329.35	1.24	-60.33
CCC[C@@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300008038711	0	44	-1.0	-55.72	343.97	5.76	-49.96
CCC[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300008038712	0	35	-1.0	-54.75	321.51	5.12	-49.63
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300008038713	0	53	-1.0	-55.03	406.46	7.96	-47.07
CCC[C@@H](NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008038714	0	42	-1.0	-54.63	350.16	4.79	-49.84
CCC[C@@H](NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300008038715	0	36	-1.0	-55.26	317.74	1.19	-54.07
CCC[C@@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300008038716	0	43	-1.0	-53.65	335.89	4.20	-49.45
CCC[C@@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300008038717	0	42	-1.0	-54.25	355.16	5.59	-48.66
CCC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300008038718	0	35	-1.0	-53.53	325.72	4.60	-48.93
CCC[C@@H](NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008038719	0	35	-1.0	-55.93	313.57	3.31	-52.62
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300008038720	0	35	-1.0	-56.72	322.45	3.40	-53.32
CCC[C@@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300008038721	0	37	-1.0	-52.63	321.17	3.70	-48.93
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300008038722	0	38	-1.0	-56.92	330.42	5.54	-51.38
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300008038723	0	40	-1.0	-52.07	355.62	4.26	-47.81
CCC[C@@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008038724	0	44	-1.0	-52.31	365.34	6.05	-46.26
CCC[C@@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008038725	0	42	-1.0	-57.83	367.39	6.67	-51.16
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300008038726	0	37	-1.0	-65.93	306.68	4.95	-60.98
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300008038727	0	32	-1.0	-52.55	318.95	2.65	-49.90
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](CCC)C(=O)[O-])=C1	REAL300008038728	0	42	-1.0	-54.18	360.64	5.40	-48.78
CCC[C@@H](NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300008038729	0	41	-1.0	-53.68	354.01	4.45	-49.23
CCC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300008038730	0	35	-1.0	-63.74	310.96	3.01	-60.73
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300008038731	0	37	-1.0	-52.99	339.60	6.54	-46.45
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008038732	0	41	-1.0	-52.35	367.68	7.71	-44.64
CCC[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300008038733	0	30	-1.0	-54.04	300.89	2.16	-51.88
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300008038734	0	37	-1.0	-50.88	336.04	5.64	-45.24
CCC[C@@H](NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300008038735	0	44	-1.0	-49.75	364.24	5.01	-44.74
CCC[C@@H](NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300008038736	0	45	-1.0	-45.45	379.72	4.14	-41.31
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300008038737	0	37	-1.0	-46.51	336.66	6.70	-39.81
CCC[C@@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300008038738	0	39	-1.0	-50.53	325.55	1.41	-49.12
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300008038739	0	37	-1.0	-53.01	341.86	3.59	-49.42
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300008038740	0	46	-1.0	-54.02	378.61	4.16	-49.86
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300008038741	0	34	-1.0	-51.86	319.54	1.55	-50.31
CCC[C@@H](NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300008038742	0	37	-1.0	-50.34	324.40	1.19	-49.15
CCC[C@@H](NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300008038743	0	40	-1.0	-55.46	340.79	3.91	-51.55
CCC[C@@H](NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300008038744	0	40	-1.0	-52.84	337.52	3.43	-49.41
CCC[C@@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300008038745	0	41	-1.0	-54.20	330.73	1.25	-52.95
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008038746	0	36	-1.0	-55.26	325.33	5.77	-49.49
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300008038747	0	42	-1.0	-53.21	349.13	4.17	-49.04
CCC[C@@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300008038748	0	38	-1.0	-49.81	326.75	3.98	-45.83
CCC[C@@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300008038749	0	38	-1.0	-51.12	332.84	5.05	-46.07
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300008038750	0	33	-1.0	-54.34	307.05	2.77	-51.57
CCC[C@@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300008038751	0	40	-1.0	-57.29	337.09	3.49	-53.80
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300008038752	0	45	-1.0	-52.54	385.84	7.34	-45.20
CCC[C@@H](NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008038753	0	36	-1.0	-61.27	309.70	4.68	-56.59
CCC[C@@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300008038754	0	34	-1.0	-50.78	299.60	3.16	-47.62
CCC[C@@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300008038755	0	39	-1.0	-61.47	328.68	-0.61	-62.08
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300008038756	0	38	-1.0	-61.36	318.94	3.73	-57.63
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300008038757	0	37	-1.0	-52.00	342.18	2.05	-49.95
CCC[C@@H](NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300008038758	0	36	-1.0	-53.63	312.08	4.13	-49.50
CCC[C@@H](NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300008038759	0	37	-1.0	-63.75	318.09	3.41	-60.34
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008038760	0	39	-1.0	-52.06	333.13	4.97	-47.09
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300008038761	0	33	-1.0	-61.22	303.17	3.26	-57.96
CCC[C@@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300008038762	0	38	-1.0	-53.11	349.24	4.74	-48.37
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300008038763	0	44	-1.0	-58.73	365.23	5.83	-52.90
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C2OCCC2=C1	REAL300008038764	0	40	-1.0	-50.70	344.56	5.53	-45.17
C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C2OCCC2=C1	REAL300008038765	0	40	-1.0	-55.34	344.61	5.52	-49.82
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C2OCCC2=C1	REAL300008038766	0	43	-1.0	-57.15	360.07	6.46	-50.69
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)C1=CC=C2OCCC2=C1	REAL300008038767	0	44	-1.0	-57.91	361.05	5.40	-52.51
CC1=CC=C(S(=O)(=O)N[C@H](C)C2=CC=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300008038768	0	43	-1.0	-53.08	360.59	6.07	-47.01
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=C2OCCC2=C1	REAL300008038769	0	37	-1.0	-48.97	328.85	5.34	-43.63
C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C2OCCC2=C1	REAL300008038770	0	40	-1.0	-55.34	344.61	5.52	-49.82
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C2OCCC2=C1	REAL300008038771	0	40	-1.0	-50.70	344.56	5.53	-45.17
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300008038772	0	40	-1.0	-52.41	334.40	6.39	-46.02
C[C@@H](NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1=CC=C2OCCC2=C1	REAL300008038773	0	38	-1.0	-53.32	333.19	3.23	-50.09
C[C@@H](NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=C2OCCC2=C1	REAL300008038774	0	40	-1.0	-53.26	349.27	3.61	-49.65
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=C2OCCC2=C1	REAL300008038775	0	37	-1.0	-49.02	336.60	4.68	-44.34
C[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300008038776	0	37	-1.0	-53.77	321.57	2.59	-51.18
C[C@@H](NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1=CC=C2OCCC2=C1	REAL300008038777	0	45	-1.0	-51.03	364.62	4.72	-46.31
C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C2OCCC2=C1	REAL300008038778	0	45	-1.0	-53.82	361.06	4.79	-49.03
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300008038779	0	40	-1.0	-52.41	334.40	6.39	-46.02
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300008038780	0	40	-1.0	-46.21	351.51	6.92	-39.29
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C2OCCC2=C1	REAL300008038781	0	37	-1.0	-50.57	330.38	3.97	-46.60
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)C2=CC=C3OCCC3=C2)O1	REAL300008038782	0	40	-1.0	-51.35	348.60	4.42	-46.93
C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=C2OCCC2=C1	REAL300008038783	0	39	-1.0	-54.33	329.85	4.15	-50.18
C[C@@H](NS(=O)(=O)N1CCCC1C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300008038784	0	42	-1.0	-59.65	343.83	4.79	-54.86
C[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C2OCCC2=C1	REAL300008038785	0	43	-1.0	-60.30	367.61	6.25	-54.05
C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C2OCCC2=C1	REAL300008038786	0	45	-1.0	-53.82	361.06	4.79	-49.03
C[C@@H](NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=CC=C2OCCC2=C1	REAL300008038787	0	43	-1.0	-61.45	367.62	6.24	-55.21
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C2OCCC2=C1	REAL300008038788	0	37	-1.0	-50.57	330.38	3.97	-46.60
C[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C2OCCC2=C1	REAL300008038789	0	44	-1.0	-50.62	375.65	5.81	-44.81
C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1=CC=C2OCCC2=C1	REAL300008038790	0	39	-1.0	-54.33	329.85	4.15	-50.18
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=C2OCCC2=C1	REAL300008038791	0	37	-1.0	-51.60	337.66	4.57	-47.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](C)C2=CC=C3OCCC3=C2)=C1C	REAL300008038792	0	46	-1.0	-58.28	378.61	7.05	-51.23
CC1=CC=CC(S(=O)(=O)N[C@H](C)C2=CC=C3OCCC3=C2)=C1C(=O)[O-]	REAL300008038793	0	43	-1.0	-56.38	362.76	6.60	-49.78
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](C)C2=CC=C3OCCC3=C2)=C1	REAL300008038794	0	47	-1.0	-56.24	399.66	5.23	-51.01
C[C@@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=C2OCCC2=C1	REAL300008038795	0	37	-1.0	-53.46	336.29	4.57	-48.89
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C)C1=CC=C2OCCC2=C1	REAL300008038796	0	43	-1.0	-50.97	354.26	6.30	-44.67
C[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=CC=C2OCCC2=C1	REAL300008038797	0	43	-1.0	-48.30	366.75	6.31	-41.99
C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=C2OCCC2=C1	REAL300008038798	0	37	-1.0	-50.89	330.62	3.69	-47.20
C[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=C2OCCC2=C1	REAL300008038799	0	43	-1.0	-53.99	366.78	6.29	-47.70
CC1=C(S(=O)(=O)N[C@H](C)C2=CC=C3OCCC3=C2)C=C(C(=O)[O-])O1	REAL300008038800	0	40	-1.0	-54.56	349.40	4.66	-49.90
C[C@@H](NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=C2OCCC2=C1	REAL300008038801	0	39	-1.0	-49.17	339.77	3.70	-45.47
C[C@@H](NS(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300008038802	0	36	-1.0	-53.17	323.07	3.78	-49.39
C[C@@H](NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=C2OCCC2=C1	REAL300008038803	0	36	-1.0	-63.84	327.86	3.29	-60.55
C[C@@H](NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300008038804	0	39	-1.0	-55.71	331.58	4.62	-51.09
C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])C1=CC=C2OCCC2=C1	REAL300008038805	0	45	-1.0	-55.81	372.84	5.71	-50.10
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=C2OCCC2=C1	REAL300008038806	0	39	-1.0	-52.41	340.48	3.70	-48.71
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=C2OCCC2=C1	REAL300008038807	0	40	-1.0	-48.37	361.31	6.03	-42.34
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CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300008043851	0	35	-1.0	-45.05	312.95	5.62	-39.43
O=C([O-])C1CCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300008043852	0	41	-1.0	-47.57	332.87	1.11	-46.46
COCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300008043853	0	36	-1.0	-49.93	318.03	1.76	-48.17
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300008043854	0	36	-1.0	-50.93	323.47	4.67	-46.26
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1C	REAL300008043855	0	56	-1.0	-47.13	445.64	8.67	-38.46
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300008043856	0	43	-1.0	-50.16	369.56	2.04	-48.12
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300008043857	0	37	-1.0	-50.66	332.67	6.31	-44.35
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300008043858	0	34	-1.0	-51.01	300.25	4.50	-46.51
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300008043859	0	32	-1.0	-49.59	304.52	5.46	-44.13
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300008043860	0	32	-1.0	-50.90	299.52	5.43	-45.47
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300008043861	0	36	-1.0	-66.74	323.74	2.01	-64.73
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300008043862	0	32	-1.0	-47.23	302.15	5.40	-41.83
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043863	0	32	-1.0	-48.08	284.60	5.18	-42.90
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1Br	REAL300008043864	0	33	-1.0	-45.66	308.41	4.08	-41.58
COC1=CC(OC)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300008043865	0	37	-1.0	-50.44	328.38	3.87	-46.57
O=C([O-])C1CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300008043866	0	32	-1.0	-53.41	303.39	3.21	-50.20
O=C([O-])C1CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300008043867	0	32	-1.0	-51.70	296.21	3.04	-48.66
CC1(C)CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C2O1	REAL300008043868	0	40	-1.0	-48.23	336.91	5.36	-42.87
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300008043869	0	32	-1.0	-54.37	296.43	3.22	-51.15
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043870	0	40	-1.0	-52.02	341.75	3.09	-48.93
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1I	REAL300008043871	0	32	-1.0	-47.80	303.84	5.74	-42.06
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300008043872	0	41	-1.0	-52.20	362.77	3.35	-48.85
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300008043873	0	46	-1.0	-50.65	395.26	3.82	-46.83
CSC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043874	0	33	-1.0	-53.41	288.65	4.93	-48.48
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300008043875	0	46	-1.0	-58.34	402.00	2.64	-55.70
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300008043876	0	37	-1.0	-49.89	337.48	0.88	-49.01
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300008043877	0	43	-1.0	-55.05	394.78	1.75	-53.30
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(OC)=C1	REAL300008043878	0	44	-1.0	-51.80	381.61	1.51	-50.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(F)=C1	REAL300008043879	0	43	-1.0	-52.49	380.94	2.37	-50.12
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300008043880	0	43	-1.0	-51.41	378.24	1.92	-49.49
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043881	0	40	-1.0	-59.59	344.96	4.00	-55.59
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300008043882	0	43	-1.0	-50.34	380.41	2.56	-47.78
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)C1	REAL300008043883	0	44	-1.0	-54.22	363.83	5.10	-49.12
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300008043884	0	40	-1.0	-50.52	358.92	1.77	-48.75
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300008043885	0	44	-1.0	-52.16	372.24	4.54	-47.62
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300008043886	0	41	-1.0	-49.99	353.62	3.94	-46.05
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300008043887	0	38	-1.0	-53.62	341.24	2.55	-51.07
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043888	0	39	-1.0	-61.56	344.52	1.51	-60.05
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Br	REAL300008043889	0	36	-1.0	-45.53	330.26	5.00	-40.53
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300008043890	0	43	-1.0	-50.56	367.29	7.18	-43.38
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300008043891	0	33	-1.0	-50.47	310.32	4.77	-45.70
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)C1	REAL300008043892	0	35	-1.0	-48.55	339.57	2.26	-46.29
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300008043893	0	36	-1.0	-50.98	328.98	4.73	-46.25
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2S1	REAL300008043894	0	43	-1.0	-49.02	372.16	6.08	-42.94
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043895	0	36	-1.0	-52.06	323.24	5.16	-46.90
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C21	REAL300008043896	0	41	-1.0	-49.62	349.87	5.69	-43.93
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043897	0	36	-1.0	-52.89	323.05	-1.12	-54.01
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300008043898	0	35	-1.0	-47.31	315.86	5.23	-42.08
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300008043899	0	32	-1.0	-47.60	314.79	6.08	-41.52
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300008043900	0	35	-1.0	-49.58	321.13	6.90	-42.68
O=C([O-])C1CCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300008043901	0	32	-1.0	-46.50	305.84	5.79	-40.71
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300008043902	0	35	-1.0	-54.04	310.65	6.68	-47.36
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300008043903	0	35	-1.0	-49.69	320.10	5.91	-43.78
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300008043904	0	40	-1.0	-49.44	340.34	5.47	-43.97
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300008043905	0	43	-1.0	-49.10	368.61	7.51	-41.59
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300008043906	0	42	-1.0	-54.53	365.64	5.66	-48.87
O=C([O-])C1CCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300008043907	0	40	-1.0	-52.12	359.19	1.20	-50.92
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300008043908	0	38	-1.0	-49.96	324.62	7.01	-42.95
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1N(C)C	REAL300008043909	0	40	-1.0	-48.11	333.10	4.76	-43.35
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300008043910	0	35	-1.0	-46.87	321.69	6.11	-40.76
O=C([O-])C1CCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300008043911	0	34	-1.0	-51.83	293.80	1.10	-50.73
O=C([O-])C1CCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300008043912	0	42	-1.0	-46.86	343.93	4.60	-42.26
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300008043913	0	36	-1.0	-48.86	311.95	4.47	-44.39
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300008043914	0	38	-1.0	-54.25	343.66	2.37	-51.88
CSC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300008043915	0	33	-1.0	-45.39	313.70	5.58	-39.81
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043916	0	41	-1.0	-47.70	335.09	4.60	-43.10
O=C([O-])C1CCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300008043917	0	37	-1.0	-51.45	329.42	2.70	-48.75
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C12	REAL300008043918	0	36	-1.0	-47.50	320.67	1.83	-45.67
O=C([O-])C1CCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300008043919	0	40	-1.0	-49.80	355.99	3.95	-45.85
CN1N=CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CN=C21	REAL300008043920	0	34	-1.0	-50.27	303.80	3.26	-47.01
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300008043921	0	35	-1.0	-47.24	325.73	7.01	-40.23
CCC1=CC(CC)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(CC)=C1	REAL300008043922	0	47	-1.0	-47.15	361.31	8.48	-38.67
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043923	1	44	-1.0	-59.41	368.86	1.32	-58.09
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300008043924	0	35	-1.0	-46.31	328.07	2.20	-44.11
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300008043925	0	38	-1.0	-56.88	325.51	7.94	-48.94
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C)=C1F	REAL300008043926	0	36	-1.0	-47.51	301.19	3.97	-43.54
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300008043927	0	38	-1.0	-48.91	319.37	5.50	-43.41
O=C([O-])C1CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300008043929	0	37	-1.0	-49.69	328.60	5.42	-44.27
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300008043930	0	36	-1.0	-46.50	331.26	4.35	-42.15
CC1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])C2)C(F)=C1	REAL300008043931	0	35	-1.0	-52.83	309.61	5.57	-47.26
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300008043933	0	29	-1.0	-44.00	291.66	4.33	-39.67
O=C([O-])C1CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300008043934	0	42	-1.0	-48.44	347.92	7.44	-41.00
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC(C(=O)[O-])C2)=NO1	REAL300008043935	0	40	-1.0	-50.55	341.01	4.88	-45.67
O=C([O-])C1CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300008043936	0	38	-1.0	-60.06	319.42	1.34	-58.72
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300008043937	0	32	-1.0	-46.61	294.69	4.59	-42.02
CC1=C(CCS(=O)(=O)N2CCC(C(=O)[O-])C2)SC=N1	REAL300008043938	0	34	-1.0	-48.31	308.42	3.38	-44.93
COC1=CC=C2C=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)CCC2=C1	REAL300008043939	0	41	-1.0	-49.01	343.04	5.83	-43.18
O=C([O-])C1CCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300008043940	0	42	-1.0	-47.05	315.98	6.19	-40.86
CC(C)(CCS(=O)(=O)N1CCC(C(=O)[O-])C1)S(C)(=O)=O	REAL300008043941	0	40	-1.0	-61.90	332.43	1.25	-60.65
O=C([O-])C1CCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300008043942	0	38	-1.0	-47.69	311.93	5.33	-42.36
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C12	REAL300008043943	0	44	-1.0	-50.86	382.84	7.38	-43.48
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C12	REAL300008043944	0	48	-1.0	-48.69	400.94	4.90	-43.79
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008043945	0	37	-1.0	-54.04	320.90	5.95	-48.09
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300008043946	0	29	-1.0	-45.54	280.38	4.75	-40.79
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300008043947	0	31	-1.0	-46.35	287.31	4.80	-41.55
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300008043948	0	35	-1.0	-49.19	304.46	6.40	-42.79
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300008043949	0	31	-1.0	-52.87	287.32	4.80	-48.07
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043950	0	34	-1.0	-51.46	294.66	5.29	-46.17
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300008043951	0	31	-1.0	-57.95	280.05	5.99	-51.96
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043952	0	36	-1.0	-51.55	326.98	5.52	-46.03
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1C	REAL300008043953	0	41	-1.0	-46.93	317.01	6.63	-40.30
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043954	0	44	-1.0	-50.79	342.79	6.99	-43.80
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300008043955	0	32	-1.0	-46.02	298.17	5.14	-40.88
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300008043956	0	32	-1.0	-48.85	286.25	5.48	-43.37
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008043957	0	35	-1.0	-55.53	314.03	4.85	-50.68
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300008043958	0	41	-1.0	-47.14	335.31	6.45	-40.69
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300008043959	0	46	-1.0	-49.81	395.86	3.85	-45.96
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300008043960	0	40	-1.0	-51.49	354.69	2.13	-49.36
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Br	REAL300008043961	0	33	-1.0	-45.78	308.40	4.08	-41.70
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1	REAL300008043962	0	35	-1.0	-46.36	336.07	6.13	-40.23
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1Br	REAL300008043963	0	32	-1.0	-45.29	298.00	5.29	-40.00
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2)=C1	REAL300008043964	0	43	-1.0	-48.14	369.21	7.64	-40.50
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300008043965	0	33	-1.0	-45.11	305.07	3.92	-41.19
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C)=C1C	REAL300008043966	0	44	-1.0	-48.11	329.24	7.04	-41.07
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300008043967	0	38	-1.0	-48.63	321.36	4.05	-44.58
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043968	0	45	-1.0	-52.98	359.95	6.29	-46.69
CN1C=C(Br)C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C21	REAL300008043969	0	36	-1.0	-49.16	334.59	6.54	-42.62
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008043970	0	34	-1.0	-45.90	302.71	5.30	-40.60
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043971	0	33	-1.0	-51.86	305.13	4.60	-47.26
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043972	0	47	-1.0	-46.80	359.20	7.87	-38.93
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300008043973	0	32	-1.0	-45.66	297.84	5.13	-40.53
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300008043974	0	39	-1.0	-47.68	321.81	6.62	-41.06
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300008043975	0	37	-1.0	-54.72	313.29	3.27	-51.45
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1OC	REAL300008043976	0	37	-1.0	-48.26	317.22	3.31	-44.95
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300008043977	0	37	-1.0	-47.98	313.62	6.54	-41.44
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300008043978	0	44	-1.0	-47.16	362.54	7.64	-39.52
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1OCC	REAL300008043979	0	43	-1.0	-47.95	360.93	5.15	-42.80
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300008043980	0	34	-1.0	-52.06	313.35	-0.91	-52.97
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300008043981	0	37	-1.0	-46.93	320.51	5.84	-41.09
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1C	REAL300008043982	0	37	-1.0	-42.84	312.61	5.85	-36.99
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=C2N=C1	REAL300008043983	0	37	-1.0	-53.99	316.00	5.74	-48.25
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300008043984	0	35	-1.0	-54.40	309.50	5.29	-49.11
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043985	0	33	-1.0	-46.37	299.68	4.53	-41.84
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300008043986	0	34	-1.0	-52.66	313.26	-0.91	-53.57
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300008043987	0	41	-1.0	-50.67	367.55	1.96	-48.71
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043988	0	37	-1.0	-48.20	326.81	5.70	-42.50
O=C([O-])C1CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300008043989	0	38	-1.0	-47.40	315.81	5.43	-41.97
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300008043990	0	37	-1.0	-49.22	308.52	5.10	-44.12
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C	REAL300008043991	0	37	-1.0	-55.57	318.85	7.23	-48.34
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300008043992	0	40	-1.0	-51.53	355.40	2.09	-49.44
O=C([O-])C1CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300008043993	0	41	-1.0	-60.85	344.47	3.46	-57.39
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300008043994	0	35	-1.0	-54.46	319.20	1.63	-52.83
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300008043995	0	39	-1.0	-48.16	320.07	7.54	-40.62
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300008043996	0	35	-1.0	-51.30	294.33	6.14	-45.16
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300008043997	0	39	-1.0	-48.63	333.28	7.54	-41.09
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=CC=C12	REAL300008043998	0	43	-1.0	-49.58	346.76	6.01	-43.57
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300008043999	0	30	-1.0	-54.18	280.93	2.58	-51.60
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008044000	0	33	-1.0	-51.94	300.57	4.50	-47.44
C=CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008053095	0	36	-1.0	-40.70	308.83	4.26	-36.44
C=CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300008053096	0	43	-1.0	-43.32	354.04	5.24	-38.08
C=CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300008053097	0	43	-1.0	-56.65	381.65	1.29	-55.36
C=CCCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008053098	0	50	-1.0	-52.36	376.83	5.98	-46.38
C=CCCC(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300008053099	0	40	-1.0	-50.32	333.12	5.87	-44.45
C=CCCC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008053100	0	40	-1.0	-51.02	350.77	6.23	-44.79
C=CCCC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008053101	0	43	-1.0	-44.94	365.51	2.92	-42.02
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300008053102	0	46	-1.0	-42.55	394.71	5.44	-37.11
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300008053103	0	46	-1.0	-44.31	396.00	5.72	-38.59
C=CCCC(NS(=O)(=O)C1=CN(CCC)C=N1)C(=O)[O-]	REAL300008053104	0	38	-1.0	-59.86	334.93	5.42	-54.44
C=CCCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300008053105	0	48	-1.0	-40.38	390.00	5.72	-34.66
C=CCCC(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008053106	0	39	-1.0	-42.78	358.84	4.71	-38.07
C=CCCC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008053107	0	40	-1.0	-51.21	348.33	2.11	-49.10
C=CCCC(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300008053108	0	36	-1.0	-43.18	341.40	4.32	-38.86
C=CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008053109	0	36	-1.0	-39.57	315.76	4.45	-35.12
C=CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300008053110	0	38	-1.0	-49.87	345.31	5.07	-44.80
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300008053111	0	38	-1.0	-39.52	341.67	6.11	-33.41
C=CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300008053112	0	38	-1.0	-39.56	338.66	6.16	-33.40
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008053113	0	38	-1.0	-49.70	344.22	5.83	-43.87
C=CCCC(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300008053114	0	41	-1.0	-57.95	334.21	5.82	-52.13
C=CCCC(NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300008053115	0	39	-1.0	-44.81	341.61	4.65	-40.16
C=CCCC(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300008053116	0	39	-1.0	-44.16	350.37	2.01	-42.15
C=CCCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008053117	0	39	-1.0	-57.99	353.90	4.89	-53.10
C=CCCC(NS(=O)(=O)C1=C(C)N(CCCCCCCC)N=C1C)C(=O)[O-]	REAL300008053118	0	59	-1.0	-54.17	474.85	8.86	-45.31
C=CCCC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008053119	0	40	-1.0	-57.73	362.91	6.51	-51.22
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008053120	0	37	-1.0	-48.23	329.53	4.73	-43.50
C=CCCC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008053121	0	35	-1.0	-42.57	334.23	5.70	-36.87
C=CCCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008053122	0	35	-1.0	-55.42	330.22	5.60	-49.82
C=CCCC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008053123	0	39	-1.0	-64.63	354.22	2.21	-62.42
C=CCCC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300008053124	0	35	-1.0	-42.95	333.33	5.68	-37.27
C=CCCC(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300008053125	0	35	-1.0	-41.06	320.61	5.75	-35.31
C=CCCC(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300008053126	0	39	-1.0	-52.96	333.29	4.34	-48.62
C=CCCC(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300008053127	0	36	-1.0	-49.75	339.46	4.32	-45.43
C=CCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300008053128	0	40	-1.0	-41.76	347.89	4.07	-37.69
C=CCCC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008053129	0	35	-1.0	-47.48	334.57	3.46	-44.02
C=CCCC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008053130	0	35	-1.0	-46.31	326.28	3.27	-43.04
C=CCCC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008053131	0	43	-1.0	-44.45	365.79	5.62	-38.83
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008053132	0	35	-1.0	-47.87	317.38	3.37	-44.50
C=CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300008053133	0	44	-1.0	-57.38	393.50	3.54	-53.84
C=CCCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300008053134	0	36	-1.0	-44.69	323.14	5.41	-39.28
C=CCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008053135	0	40	-1.0	-55.30	368.73	1.11	-54.19
C=CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008053136	0	43	-1.0	-67.18	359.71	4.22	-62.96
C=CCCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300008053137	0	43	-1.0	-54.26	390.20	2.00	-52.26
C=CCCC(NS(=O)(=O)CC1=CC=C(CC)C=C1)C(=O)[O-]	REAL300008053138	0	41	-1.0	-56.53	356.08	6.49	-50.04
C=CCCC(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300008053139	0	35	-1.0	-41.59	321.33	4.91	-36.68
C=CCCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008053140	0	47	-1.0	-56.98	403.54	4.76	-52.22
C=CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008053141	0	44	-1.0	-48.81	377.66	4.78	-44.03
C=CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300008053142	0	41	-1.0	-53.18	372.77	2.82	-50.36
C=CCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300008053143	0	42	-1.0	-46.98	361.51	2.00	-44.98
C=CCCC(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300008053144	0	41	-1.0	-43.58	348.03	6.24	-37.34
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300008053145	0	39	-1.0	-50.35	361.31	5.24	-45.11
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008053146	0	46	-1.0	-48.66	398.72	7.46	-41.20
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008053147	0	36	-1.0	-39.61	326.10	4.89	-34.72
C=CCCC(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300008053148	0	39	-1.0	-44.80	355.80	4.91	-39.89
C=CCCC(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300008053149	0	41	-1.0	-42.40	336.56	2.64	-39.76
C=CCCC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008053150	0	46	-1.0	-46.85	403.61	6.35	-40.50
C=CCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300008053151	0	39	-1.0	-56.81	357.27	5.40	-51.41
C=CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300008053152	0	44	-1.0	-46.33	381.33	5.95	-40.38
C=CCCC(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300008053153	0	39	-1.0	-46.43	349.71	-0.93	-47.36
C=CCCC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008053154	0	38	-1.0	-47.36	344.30	5.68	-41.68
C=CCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008053155	0	35	-1.0	-42.34	343.99	6.34	-36.00
C=CCCC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008053156	0	38	-1.0	-43.29	353.09	7.13	-36.16
C=CCCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C(=O)[O-]	REAL300008053157	0	35	-1.0	-51.99	342.51	6.19	-45.80
C=CCCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008053158	0	38	-1.0	-57.15	345.71	7.10	-50.05
C=CCCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008053159	0	38	-1.0	-55.18	350.83	6.13	-49.05
C=CCCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008053160	0	43	-1.0	-43.86	367.00	5.65	-38.21
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008053161	0	46	-1.0	-41.13	385.00	7.89	-33.24
C=CCCC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008053162	0	45	-1.0	-57.20	396.98	5.92	-51.28
C=CCCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008053163	0	43	-1.0	-45.06	385.86	1.38	-43.68
C=CCCC(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300008053164	0	41	-1.0	-45.65	359.15	7.36	-38.29
C=CCCC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300008053165	0	43	-1.0	-52.39	364.47	5.01	-47.38
C=CCCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008053166	0	38	-1.0	-44.40	350.63	6.31	-38.09
C=CCCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008053167	0	37	-1.0	-58.03	321.13	1.39	-56.64
C=CCCC(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008053168	0	45	-1.0	-42.64	370.59	4.79	-37.85
C=CCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300008053169	0	39	-1.0	-55.06	346.39	4.86	-50.20
C=CCCC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008053170	0	41	-1.0	-51.74	373.63	2.59	-49.15
C=CCCC(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300008053171	0	36	-1.0	-50.29	344.99	5.79	-44.50
C=CCCC(NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300008053172	0	44	-1.0	-51.49	362.35	4.80	-46.69
C=CCCC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008053173	0	40	-1.0	-45.79	359.51	2.94	-42.85
C=CCCC(NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300008053174	0	39	-1.0	-46.44	351.85	2.11	-44.33
C=CCCC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008053175	0	43	-1.0	-48.93	386.35	4.16	-44.77
C=CCCC(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300008053176	0	37	-1.0	-45.46	334.98	3.55	-41.91
C=CCCC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300008053177	0	38	-1.0	-52.19	356.72	7.23	-44.96
C=CCCC(NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300008053178	0	50	-1.0	-42.48	388.19	8.66	-33.82
C=CCCC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300008053179	0	39	-1.0	-54.65	336.39	4.45	-50.20
C=CCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008053180	0	38	-1.0	-40.98	359.22	2.49	-38.49
C=CCCC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008053181	0	41	-1.0	-44.67	352.63	8.05	-36.62
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300008053182	0	39	-1.0	-51.18	336.10	4.50	-46.68
C=CCCC(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300008053183	0	44	-1.0	-55.82	339.27	5.83	-49.99
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008053184	0	41	-1.0	-45.23	352.11	5.82	-39.41
C=CCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008053186	0	40	-1.0	-46.37	357.80	5.66	-40.71
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300008053187	0	39	-1.0	-41.68	360.15	4.60	-37.08
C=CCCC(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300008053188	0	38	-1.0	-56.40	339.93	5.75	-50.65
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008053190	0	32	-1.0	-39.00	320.92	4.57	-34.43
C=CCCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008053191	0	45	-1.0	-41.93	374.60	7.62	-34.31
C=CCCC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008053192	0	43	-1.0	-56.05	371.31	5.06	-50.99
C=CCCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008053193	0	41	-1.0	-65.73	350.58	1.51	-64.22
C=CCCC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008053194	0	35	-1.0	-52.92	327.22	4.83	-48.09
C=CCCC(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300008053195	0	37	-1.0	-55.16	338.21	3.56	-51.60
C=CCCC(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300008053196	0	42	-1.0	-41.21	330.52	5.79	-35.42
C=CCCC(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300008053197	0	44	-1.0	-45.83	374.46	6.09	-39.74
C=CCCC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008053198	0	43	-1.0	-54.42	359.09	1.44	-52.98
C=CCCC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300008053199	0	41	-1.0	-53.54	342.80	5.51	-48.03
C=CCCC(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300008053200	0	39	-1.0	-54.93	341.48	6.48	-48.45
C=CCCC(NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008053201	0	40	-1.0	-59.17	352.21	6.16	-53.01
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008053202	0	32	-1.0	-50.19	306.32	4.87	-45.32
C=CCCC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008053203	0	32	-1.0	-50.08	310.89	4.97	-45.11
C=CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008053204	0	34	-1.0	-49.05	317.80	5.02	-44.03
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300008053205	0	38	-1.0	-45.89	334.31	6.65	-39.24
C=CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008053206	0	34	-1.0	-41.55	318.48	5.10	-36.45
C=CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300008053207	0	37	-1.0	-40.58	327.83	5.82	-34.76
C=CCCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008053208	0	34	-1.0	-59.46	304.21	5.82	-53.64
C=CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300008053209	0	39	-1.0	-40.35	341.44	5.89	-34.46
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300008053210	0	39	-1.0	-52.50	341.16	4.55	-47.95
C=CCCC(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300008053211	0	44	-1.0	-43.40	348.45	7.00	-36.40
C=CCCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300008053212	0	41	-1.0	-42.63	336.20	6.60	-36.03
C=CCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300008053213	0	47	-1.0	-43.22	377.99	7.53	-35.69
C=CCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008053214	0	35	-1.0	-40.55	328.99	5.43	-35.12
C=CCCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008053215	0	35	-1.0	-58.98	307.51	5.07	-53.91
C=CCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008053216	0	32	-1.0	-41.38	307.34	4.92	-36.46
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300008053217	0	37	-1.0	-53.11	331.06	4.73	-48.38
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008053218	0	38	-1.0	-60.36	345.30	5.07	-55.29
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300008053219	0	44	-1.0	-52.98	365.81	6.67	-46.31
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300008053220	0	41	-1.0	-53.13	349.80	6.28	-46.85
C=CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008053221	0	43	-1.0	-55.30	385.40	2.32	-52.98
C=CCCC(NS(=O)(=O)C1=CC=C(CCC)C=C1)C(=O)[O-]	REAL300008053222	0	41	-1.0	-53.16	353.98	6.57	-46.59
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300008053223	0	36	-1.0	-50.86	339.69	4.29	-46.57
C=CCCC(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300008053224	0	35	-1.0	-50.39	329.31	5.52	-44.87
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300008053225	0	46	-1.0	-51.91	399.69	7.87	-44.04
C=CCCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008053226	0	36	-1.0	-50.48	335.57	4.14	-46.34
C=CCCC(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300008053227	0	47	-1.0	-53.60	363.57	7.41	-46.19
C=CCCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008053228	0	41	-1.0	-52.57	352.36	4.29	-48.28
C=CCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300008053229	0	48	-1.0	-44.09	377.03	6.81	-37.28
C=CCCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008053230	0	37	-1.0	-59.29	334.00	5.51	-53.78
C=CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300008053231	0	36	-1.0	-40.59	323.73	4.80	-35.79
C=CCCC(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300008053232	0	50	-1.0	-43.22	390.04	8.16	-35.06
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008053233	0	35	-1.0	-49.91	328.53	5.33	-44.58
C=CCCC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300008053234	0	42	-1.0	-53.73	352.56	6.83	-46.90
C=CCCC(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300008053235	0	40	-1.0	-44.61	332.07	3.49	-41.12
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300008053236	0	40	-1.0	-53.01	348.51	3.53	-49.48
C=CCCC(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300008053237	0	39	-1.0	-46.33	336.16	6.32	-40.01
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300008053238	0	40	-1.0	-44.02	339.03	6.68	-37.34
C=CCCC(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008053239	0	37	-1.0	-52.92	325.50	4.20	-48.72
C=CCCC(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300008053240	0	47	-1.0	-53.40	393.29	7.83	-45.57
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300008053241	0	46	-1.0	-52.38	391.98	5.39	-46.99
C=CCCC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008053242	0	37	-1.0	-56.46	343.78	-0.69	-57.15
C=CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300008053243	0	40	-1.0	-58.12	347.02	6.38	-51.74
C=CCCC(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300008053244	0	40	-1.0	-60.96	350.84	5.76	-55.20
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008053245	0	38	-1.0	-47.51	330.84	5.05	-42.46
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300008053246	0	36	-1.0	-40.61	317.39	5.01	-35.60
C=CCCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008053247	0	37	-1.0	-49.71	344.85	-0.65	-50.36
C=CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008053248	0	44	-1.0	-48.43	397.37	2.21	-46.22
C=CCCC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300008053249	0	40	-1.0	-55.30	355.40	5.85	-49.45
C=CCCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300008053250	0	41	-1.0	-51.54	336.64	5.27	-46.27
C=CCCC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300008053251	0	40	-1.0	-54.80	344.10	5.55	-49.25
C=CCCC(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008053252	0	40	-1.0	-58.16	343.42	7.02	-51.14
C=CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008053253	0	43	-1.0	-49.02	385.83	2.43	-46.59
C=CCCC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008053254	0	44	-1.0	-66.07	376.30	3.70	-62.37
C=CCCC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008053255	0	38	-1.0	-58.76	350.51	1.86	-56.90
C=CCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008053256	0	42	-1.0	-55.92	352.37	8.11	-47.81
C=CCCC(NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300008053257	0	43	-1.0	-41.95	346.00	4.97	-36.98
C=CCCC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008053258	0	38	-1.0	-47.64	331.25	6.75	-40.89
C=CCCC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008053259	0	42	-1.0	-54.18	363.99	7.74	-46.44
C=CCCC(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300008053260	0	35	-1.0	-40.63	308.17	5.28	-35.35
C=CCCC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008053261	0	46	-1.0	-54.75	382.38	6.46	-48.29
C=CCCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008053262	0	33	-1.0	-46.91	300.20	2.81	-44.10
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300008053263	0	36	-1.0	-40.34	317.45	4.99	-35.35
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300008053264	0	47	-1.0	-52.99	380.03	7.14	-45.85
C=CCCC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300008053265	0	35	-1.0	-53.57	325.01	5.45	-48.12
C=CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300008053266	0	42	-1.0	-52.42	359.05	5.18	-47.24
C=CCCC(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300008053267	0	33	-1.0	-63.46	299.67	3.20	-60.26
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008053268	0	37	-1.0	-43.04	340.78	6.76	-36.28
C=CCCC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008053269	0	37	-1.0	-52.06	330.55	5.05	-47.01
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008053270	0	43	-1.0	-54.21	395.32	7.72	-46.49
C=CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300008053271	0	38	-1.0	-39.80	330.57	4.86	-34.94
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300008053272	0	36	-1.0	-50.76	325.26	3.72	-47.04
C=CCCC(NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300008053273	0	35	-1.0	-54.56	316.51	5.03	-49.53
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008053274	0	43	-1.0	-51.01	394.99	7.71	-43.30
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300008053275	0	47	-1.0	-52.49	408.00	6.47	-46.02
C=CCCC(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300008053276	0	59	-1.0	-42.99	446.12	10.30	-32.69
C=CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300008053277	0	48	-1.0	-55.43	396.92	7.56	-47.87
C=CCCC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008053278	0	35	-1.0	-38.92	341.53	6.01	-32.91
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300008053279	0	42	-1.0	-56.05	357.51	5.99	-50.06
C=CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008053280	0	37	-1.0	-38.39	327.94	5.82	-32.57
C=CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008053281	0	37	-1.0	-42.45	322.30	5.64	-36.81
C=CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300008053282	0	40	-1.0	-40.78	346.28	6.73	-34.05
C=CCCC(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300008053283	0	44	-1.0	-53.54	371.02	7.01	-46.53
C=CCCC(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300008053284	0	42	-1.0	-53.65	366.40	4.84	-48.81
C=CCCC(NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300008053285	0	44	-1.0	-42.47	361.18	1.68	-40.79
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300008053286	0	35	-1.0	-40.26	318.51	5.74	-34.52
C=CCCC(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300008053287	0	42	-1.0	-44.64	361.93	5.25	-39.39
C=CCCC(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300008053288	0	48	-1.0	-52.78	401.70	6.66	-46.12
C=CCCC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008053289	0	46	-1.0	-52.06	384.45	6.54	-45.52
C=CCCC(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300008053290	0	45	-1.0	-52.97	382.73	6.05	-46.92
C=CCCC(NS(=O)(=O)C1=CC=C(OCCC)C=C1)C(=O)[O-]	REAL300008053291	0	42	-1.0	-52.97	362.63	5.36	-47.61
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300008053292	0	36	-1.0	-50.83	335.30	4.18	-46.65
C=CCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300008053293	0	36	-1.0	-51.89	345.06	4.45	-47.44
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300008053294	0	39	-1.0	-52.94	339.35	4.36	-48.58
C=CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300008053295	0	45	-1.0	-52.36	378.88	5.94	-46.42
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300008053296	0	39	-1.0	-42.67	328.55	4.44	-38.23
C=CCCC(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300008053297	0	43	-1.0	-55.54	374.76	3.83	-51.71
C=CCCC(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300008053298	0	35	-1.0	-56.70	318.50	5.08	-51.62
C=CCCC(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008053299	0	35	-1.0	-39.11	321.01	5.77	-33.34
C=CCCC(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300008053300	0	40	-1.0	-48.49	336.03	7.15	-41.34
C=CCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300008053301	0	41	-1.0	-52.74	362.51	2.74	-50.00
C=CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300008053302	0	44	-1.0	-55.12	398.81	2.18	-52.94
C=CCCC(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300008053303	0	34	-1.0	-42.77	313.57	2.96	-39.81
C=CCCC(NS(=O)(=O)C1=CSC2=CC=CC=C21)C(=O)[O-]	REAL300008053304	0	35	-1.0	-53.20	325.71	5.69	-47.51
C=CCCC(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300008053305	0	36	-1.0	-50.09	325.50	3.70	-46.39
C=CCCC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008053306	0	42	-1.0	-54.33	364.03	7.75	-46.58
C=CCCC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008053307	0	35	-1.0	-54.50	346.61	6.06	-48.44
C=CCCC(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300008053308	0	38	-1.0	-45.53	367.80	4.94	-40.59
C=CCCC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300008053309	0	52	-1.0	-51.76	424.15	7.97	-43.79
C=CCCC(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300008053310	0	40	-1.0	-55.22	354.34	2.02	-53.20
C=CCCC(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300008053311	0	42	-1.0	-44.50	345.73	5.19	-39.31
C=CCCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008053312	0	43	-1.0	-46.81	372.57	8.48	-38.33
C=CCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300008053313	0	42	-1.0	-55.14	351.48	5.18	-49.96
C=CCCC(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300008053314	0	40	-1.0	-54.69	335.70	5.56	-49.13
C=CCCC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300008053315	0	37	-1.0	-46.06	321.51	4.79	-41.27
C=CCCC(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008053316	0	37	-1.0	-54.60	340.97	5.27	-49.33
C=CCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008053317	0	39	-1.0	-53.21	360.73	5.01	-48.20
C=CCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008053318	0	46	-1.0	-53.51	401.06	7.61	-45.90
C=CCCC(NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300008053319	0	40	-1.0	-58.52	352.65	5.61	-52.91
C=CCCC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008053320	0	42	-1.0	-45.12	374.33	5.93	-39.19
C=CCCC(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300008053321	0	35	-1.0	-71.19	318.99	3.59	-67.60
C=CCCC(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300008053322	0	54	-1.0	-42.92	423.55	7.23	-35.69
C=CCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008053323	0	40	-1.0	-57.34	366.64	0.97	-56.37
C=CCCC(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300008053324	0	35	-1.0	-43.16	319.35	5.15	-38.01
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300008053325	0	45	-1.0	-55.67	379.08	6.87	-48.80
C=CCCC(NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300008053326	0	42	-1.0	-44.48	344.03	5.70	-38.78
C=CCCC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008053327	0	37	-1.0	-60.83	338.09	4.51	-56.32
C=CCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008053328	0	39	-1.0	-48.24	348.92	5.49	-42.75
C=CCCC(NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300008053329	0	46	-1.0	-55.57	396.61	4.79	-50.78
C=CCCC(NS(=O)(=O)C1=CC=C(OCCCCC)C=C1)C(=O)[O-]	REAL300008053330	0	48	-1.0	-52.92	405.63	6.92	-46.00
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300008053331	0	42	-1.0	-44.02	340.87	6.91	-37.11
C=CCCC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300008053332	0	36	-1.0	-51.57	346.20	5.79	-45.78
C=CCCC(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300008053333	0	37	-1.0	-43.80	326.60	3.71	-40.09
C=CCCC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008053334	0	40	-1.0	-53.41	352.83	5.61	-47.80
C=CCCC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008053335	0	37	-1.0	-58.91	338.08	4.50	-54.41
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300008053336	0	42	-1.0	-42.63	350.38	5.36	-37.27
C=CCCC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008053337	0	36	-1.0	-55.82	327.81	4.48	-51.34
C=CCCC(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300008053338	0	36	-1.0	-52.01	329.78	5.37	-46.64
C=CCCC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008053339	0	38	-1.0	-42.90	352.00	6.10	-36.80
C=CCCC(NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300008053340	0	43	-1.0	-42.03	359.78	6.16	-35.87
C=CCCC(NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300008053341	0	38	-1.0	-50.62	336.16	4.20	-46.42
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008053342	0	38	-1.0	-46.84	331.83	4.06	-42.78
C=CCCC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300008053343	0	37	-1.0	-47.34	327.01	4.85	-42.49
C=CCCC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300008053344	0	44	-1.0	-45.81	378.30	6.25	-39.56
C=CCCC(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300008053345	0	38	-1.0	-54.67	344.22	5.83	-48.84
C=CCCC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300008053346	0	38	-1.0	-46.81	363.45	5.15	-41.66
C=CCCC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008053347	0	41	-1.0	-56.08	354.40	5.94	-50.14
C=CCCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300008053348	0	40	-1.0	-50.68	356.15	4.04	-46.64
C=CCCC(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300008053349	0	39	-1.0	-43.89	345.33	4.15	-39.74
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008053350	0	43	-1.0	-62.53	361.07	5.80	-56.73
C=CCCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008053351	0	35	-1.0	-55.71	327.01	5.48	-50.23
C=CCCC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300008053352	0	40	-1.0	-56.34	348.88	4.99	-51.35
C=CCCC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008053353	0	35	-1.0	-46.38	339.85	5.98	-40.40
C=CCCC(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008053354	0	40	-1.0	-52.80	346.60	4.96	-47.84
C=CCCC(NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300008053355	0	44	-1.0	-41.21	340.96	7.34	-33.87
C=CCCC(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300008053356	0	44	-1.0	-59.15	375.07	3.23	-55.92
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300008053357	0	43	-1.0	-52.76	395.23	7.69	-45.07
C=CCCC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008053358	0	38	-1.0	-47.78	339.32	5.64	-42.14
C=CCCC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300008053359	0	38	-1.0	-45.38	371.50	5.54	-39.84
C=CCCC(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300008053360	0	41	-1.0	-55.41	366.20	3.39	-52.02
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008053361	0	35	-1.0	-46.15	325.06	3.21	-42.94
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008053362	0	35	-1.0	-51.01	320.38	4.78	-46.23
C=CCCC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300008053363	0	35	-1.0	-44.65	316.66	3.07	-41.58
C=CCCC(NS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300008053364	0	35	-1.0	-42.83	315.53	1.07	-41.76
C=CCCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300008053365	0	40	-1.0	-53.38	343.54	4.96	-48.42
C=CCCC(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300008053366	0	42	-1.0	-52.07	372.55	6.14	-45.93
C=CCCC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008053367	0	40	-1.0	-53.35	363.37	5.46	-47.89
C=CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300008053368	0	37	-1.0	-48.96	333.76	5.53	-43.43
C=CCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300008053369	0	43	-1.0	-58.50	378.38	5.10	-53.40
C=CCCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008053370	0	34	-1.0	-47.50	322.61	3.89	-43.61
C=CCCC(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300008053371	0	40	-1.0	-55.39	341.33	4.74	-50.65
C=CCCC(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300008053372	0	41	-1.0	-54.44	356.82	7.28	-47.16
C=CCCC(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300008053373	0	33	-1.0	-59.39	300.53	2.63	-56.76
C=CCCC(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300008053374	0	40	-1.0	-54.66	340.93	4.70	-49.96
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300008053375	0	37	-1.0	-49.11	326.91	4.21	-44.90
C=CCCC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300008053376	0	37	-1.0	-57.64	336.79	4.37	-53.27
C=CCCC(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300008053377	0	37	-1.0	-46.12	326.41	4.23	-41.89
C=CCCC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008053378	0	38	-1.0	-54.91	351.67	6.33	-48.58
C=CCCC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008053379	0	44	-1.0	-54.20	364.01	4.88	-49.32
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008053380	0	34	-1.0	-42.30	325.34	3.64	-38.66
C=CCCC(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300008053381	0	40	-1.0	-62.13	341.82	4.91	-57.22
C=CCCC(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008053382	0	40	-1.0	-49.48	346.35	6.34	-43.14
C=CCCC(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300008053383	0	40	-1.0	-50.77	341.24	7.28	-43.49
C=CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300008053384	0	40	-1.0	-42.69	347.15	6.29	-36.40
C=CCCC(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008053385	0	42	-1.0	-55.97	364.20	5.14	-50.83
C=CCCC(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300008053386	0	35	-1.0	-52.11	314.51	1.79	-50.32
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008053387	0	41	-1.0	-43.52	361.34	6.03	-37.49
C=CCCC(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300008053388	0	39	-1.0	-44.43	339.83	6.50	-37.93
C=CCCC(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300008053389	0	40	-1.0	-46.86	347.33	2.97	-43.89
C=CCCC(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300008053390	0	44	-1.0	-41.70	355.21	6.03	-35.67
C=CCCC(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300008053391	0	38	-1.0	-55.44	328.22	3.83	-51.61
C=CCCC(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300008053392	0	35	-1.0	-57.54	318.51	4.71	-52.83
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300008053393	0	36	-1.0	-50.03	335.31	4.18	-45.85
C=CCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008053394	0	40	-1.0	-61.43	338.47	5.91	-55.52
C=CCCC(NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300008053395	0	44	-1.0	-54.22	366.61	6.91	-47.31
C=CCCC(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008053396	0	40	-1.0	-39.09	342.83	6.59	-32.50
C=CCCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300008053397	0	42	-1.0	-47.95	349.29	5.97	-41.98
C=CCCC(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300008053398	0	35	-1.0	-54.32	323.51	4.74	-49.58
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300008053399	0	33	-1.0	-40.32	312.45	2.29	-38.03
C=CCCC(NS(=O)(=O)C1=CN=C(CC)S1)C(=O)[O-]	REAL300008053400	0	34	-1.0	-50.78	320.52	2.97	-47.81
C=CCCC(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300008053401	0	39	-1.0	-47.90	340.52	4.24	-43.66
C=CCCC(NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300008053402	0	35	-1.0	-44.20	320.22	5.03	-39.17
C=CCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300008053403	0	38	-1.0	-48.12	333.34	6.15	-41.97
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300008053404	0	35	-1.0	-47.95	316.13	3.02	-44.93
C=CCCC(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300008053405	0	38	-1.0	-41.08	335.38	5.70	-35.38
C=CCCC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300008053406	0	39	-1.0	-48.85	344.35	4.12	-44.73
C=CCCC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300008053407	0	34	-1.0	-58.70	321.39	3.87	-54.83
C=CCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008053408	0	35	-1.0	-55.33	329.93	5.57	-49.76
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300008053409	0	35	-1.0	-50.45	325.28	5.42	-45.03
C=CCCC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300008053410	0	38	-1.0	-51.06	336.47	5.35	-45.71
C=CCCC(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300008053411	0	41	-1.0	-54.07	375.79	5.82	-48.25
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300008053412	0	40	-1.0	-48.22	341.65	5.58	-42.64
C=CCCC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300008053413	0	39	-1.0	-47.24	353.46	2.22	-45.02
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300008053414	0	41	-1.0	-50.84	352.27	4.77	-46.07
C=CCCC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300008053415	0	35	-1.0	-41.71	329.48	5.55	-36.16
C=CCCC(NS(=O)(=O)C1=CC=C(OCCCCCCCC)C=C1)C(=O)[O-]	REAL300008053416	0	57	-1.0	-52.81	470.12	9.26	-43.55
C=CCCC(NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300008053417	0	45	-1.0	-45.25	380.29	6.09	-39.16
C=CCCC(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300008053418	0	45	-1.0	-54.94	366.82	4.62	-50.32
C=CCCC(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300008053419	0	48	-1.0	-55.51	381.37	5.34	-50.17
C=CCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300008053420	0	46	-1.0	-51.67	407.26	7.68	-43.99
C=CCCC(NS(=O)(=O)CC(OCC)C1CC1)C(=O)[O-]	REAL300008053421	0	42	-1.0	-57.41	353.52	4.63	-52.78
C=CCCC(NS(=O)(=O)C1=CC=C(OCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008053422	0	51	-1.0	-53.47	421.26	7.38	-46.09
C=CCCC(NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300008053423	0	45	-1.0	-56.14	379.14	6.69	-49.45
C=CCCC(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300008053424	0	35	-1.0	-43.96	330.36	3.92	-40.04
C=CCCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008053425	0	40	-1.0	-50.31	350.26	6.71	-43.60
C=CCCC(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300008053426	0	39	-1.0	-50.39	333.82	4.11	-46.28
C=CCCC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300008053427	0	45	-1.0	-52.30	383.35	6.27	-46.03
C=CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300008053428	0	35	-1.0	-41.18	328.95	3.00	-38.18
C=CCCC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008053429	0	43	-1.0	-45.10	391.20	8.50	-36.60
C=CCCC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300008053430	0	42	-1.0	-58.17	354.70	7.70	-50.47
C=CCCC(NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300008053431	0	45	-1.0	-55.27	373.10	5.92	-49.35
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008053432	0	38	-1.0	-49.69	361.03	6.20	-43.49
C=CCCC(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008053433	1	34	-1.0	-60.90	318.13	3.36	-57.54
C=CCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300008053434	0	41	-1.0	-47.31	338.52	7.43	-39.88
C=CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300008053435	0	41	-1.0	-42.59	357.52	2.93	-39.66
C=CCCC(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300008053436	0	36	-1.0	-51.75	323.46	4.49	-47.26
C=CCCC(NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008053437	0	48	-1.0	-53.64	399.52	6.60	-47.04
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300008053438	0	44	-1.0	-53.52	367.77	6.60	-46.92
C=CCCC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008053439	0	51	-1.0	-56.20	415.05	8.85	-47.35
C=CCCC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300008053440	0	42	-1.0	-49.97	345.88	4.40	-45.57
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300008053441	0	44	-1.0	-56.39	354.87	4.45	-51.94
C=CCCC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300008053442	0	42	-1.0	-47.99	358.01	4.76	-43.23
C=CCCC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300008053443	0	35	-1.0	-45.12	320.16	3.14	-41.98
C=CCCC(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008053444	0	39	-1.0	-45.27	344.19	4.47	-40.80
C=CCCC1=CC=C(S(=O)(=O)NC(CCC=C)C(=O)[O-])C=C1	REAL300008053445	0	42	-1.0	-53.07	366.80	7.13	-45.94
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1CC)C(=O)[O-]	REAL300008053446	0	38	-1.0	-47.96	327.53	3.22	-44.74
C=CCCC(NS(=O)(=O)C1=CC=C(OCCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008053447	0	54	-1.0	-51.70	442.52	8.18	-43.52
C=CCCC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008053448	0	36	-1.0	-42.08	336.99	6.09	-35.99
C=CCCC(NS(=O)(=O)C1=CC=C(OCCC)C(C(C)(C)C)=C1)C(=O)[O-]	REAL300008053449	0	54	-1.0	-53.51	433.59	8.05	-45.46
C=CCCC(NS(=O)(=O)C1=CC=C(OCCC)C(CC)=C1)C(=O)[O-]	REAL300008053450	0	48	-1.0	-53.22	404.33	6.84	-46.38
C=CCCC(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300008053451	0	38	-1.0	-40.83	333.03	6.41	-34.42
C=CCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008053452	0	38	-1.0	-55.19	350.52	6.23	-48.96
C=CCCC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008053453	0	36	-1.0	-53.92	337.18	5.98	-47.94
C=CCCC(NS(=O)(=O)C1=CC=CC=C1CCC)C(=O)[O-]	REAL300008053454	0	41	-1.0	-55.41	339.56	6.79	-48.62
C=CCCC(NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300008053455	0	35	-1.0	-46.02	298.44	1.84	-44.18
C=CCCC(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008053456	0	48	-1.0	-51.86	404.30	7.09	-44.77
C=CCCC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300008053457	0	37	-1.0	-49.18	325.94	4.95	-44.23
C=CCCC(NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300008053458	0	35	-1.0	-40.27	308.61	4.99	-35.28
C=CCCC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300008053459	0	39	-1.0	-54.55	340.57	4.02	-50.53
C=CCCC(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300008053460	0	39	-1.0	-49.10	333.74	4.07	-45.03
C=CCCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300008053461	0	42	-1.0	-51.78	349.87	4.73	-47.05
C=CCCC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300008053462	0	43	-1.0	-44.93	349.51	2.74	-42.19
C=CCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300008053463	0	38	-1.0	-52.52	357.23	5.28	-47.24
C=CCCC(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300008053464	0	39	-1.0	-47.23	329.90	4.35	-42.88
C=CCCC(NS(=O)(=O)C1=CC=C(OCCCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008053465	0	57	-1.0	-53.44	464.25	8.94	-44.50
C=CCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300008053466	0	48	-1.0	-57.26	382.33	5.78	-51.48
C=CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300008053467	0	42	-1.0	-42.35	351.54	5.93	-36.42
C=CCCC(NS(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008053468	0	55	-1.0	-55.95	455.24	6.80	-49.15
C=CCCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300008053469	0	40	-1.0	-58.41	346.47	5.02	-53.39
C=CCCC(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008053470	0	40	-1.0	-51.13	359.37	4.02	-47.11
C=CCCC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300008053471	0	38	-1.0	-46.54	341.12	5.00	-41.54
C=CCCC(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300008053472	0	37	-1.0	-64.23	331.23	3.94	-60.29
C=CCCC(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300008053473	0	41	-1.0	-42.45	336.15	4.41	-38.04
C=CCCC(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300008053474	0	33	-1.0	-49.53	304.35	3.14	-46.39
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300008053475	0	35	-1.0	-55.30	328.98	5.80	-49.50
C=CCCC(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300008053476	0	39	-1.0	-45.32	338.83	4.11	-41.21
C=CCCC(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300008053477	0	41	-1.0	-42.30	339.97	6.59	-35.71
C=CCCC(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300008053478	0	40	-1.0	-48.41	345.33	4.26	-44.15
C=CCCC(NS(=O)(=O)C1=COC2=CC=CC=C21)C(=O)[O-]	REAL300008053479	0	35	-1.0	-53.14	319.74	4.64	-48.50
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300008053480	0	45	-1.0	-46.70	373.86	5.17	-41.53
C=CCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300008053481	0	44	-1.0	-51.33	365.17	4.82	-46.51
C=CCCC(NS(=O)(=O)C1=CN(CCCC)N=C1C)C(=O)[O-]	REAL300008053482	0	44	-1.0	-46.98	378.77	5.07	-41.91
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300008053483	0	39	-1.0	-47.35	346.09	4.23	-43.12
C=CCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300008053484	0	36	-1.0	-55.40	329.05	3.90	-51.50
C=CCCC(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300008053485	0	37	-1.0	-56.94	321.44	2.96	-53.98
C=CCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300008053486	0	38	-1.0	-40.61	338.64	6.33	-34.28
C=CCCC(NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300008053487	0	43	-1.0	-53.39	343.98	4.71	-48.68
C=CCCC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300008053488	0	38	-1.0	-49.56	358.81	5.48	-44.08
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300008053489	0	42	-1.0	-47.11	362.20	4.79	-42.32
C=CCCC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300008053490	0	50	-1.0	-43.34	397.57	8.35	-34.99
C=CCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300008053491	0	38	-1.0	-40.86	361.81	6.27	-34.59
C=CCCC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300008053492	0	42	-1.0	-46.02	362.34	5.02	-41.00
C=CCCC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300008053493	0	36	-1.0	-42.94	315.06	5.23	-37.71
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300008053494	0	43	-1.0	-57.09	386.01	7.18	-49.91
C=CCCC(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008053495	0	41	-1.0	-71.37	353.25	5.74	-65.63
C=CCCC(NS(=O)(=O)C1=CC=CC(CCC)=C1)C(=O)[O-]	REAL300008053496	0	41	-1.0	-53.49	353.97	6.56	-46.93
C=CCCC(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300008053497	0	39	-1.0	-51.05	333.51	3.84	-47.21
C=CCCC(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300008053498	0	41	-1.0	-43.37	334.09	4.05	-39.32
C=CCCC(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300008053499	0	41	-1.0	-45.28	352.87	4.08	-41.20
C=CCCC(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300008053500	0	39	-1.0	-44.85	339.21	3.46	-41.39
C=CCCC(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008053501	0	37	-1.0	-47.25	340.83	4.14	-43.11
C=CCCC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008053502	0	35	-1.0	-39.25	335.76	5.47	-33.78
C=CCCC(NS(=O)(=O)C1=CC=CC(C(=O)CCC)=C1)C(=O)[O-]	REAL300008053503	0	43	-1.0	-48.72	375.19	6.44	-42.28
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300008053504	0	43	-1.0	-55.48	359.14	7.42	-48.06
C=CCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300008053505	0	38	-1.0	-51.42	353.04	5.39	-46.03
C=CCCC(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008053506	0	38	-1.0	-43.83	331.31	4.88	-38.95
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300008053507	0	42	-1.0	-50.71	385.79	5.12	-45.59
C=CCCC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300008053508	0	32	-1.0	-41.37	304.68	4.63	-36.74
C=CCCC(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300008053509	0	39	-1.0	-53.05	338.77	6.45	-46.60
C=CCCC(NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300008053510	0	33	-1.0	-41.67	296.87	3.36	-38.31
C=CCCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300008053511	0	42	-1.0	-49.62	355.42	4.98	-44.64
C=CCCC(NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300008053512	0	41	-1.0	-51.00	340.75	3.78	-47.22
C=CCCC(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300008053513	0	46	-1.0	-43.07	360.55	5.42	-37.65
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300008053514	0	46	-1.0	-45.73	383.63	3.42	-42.31
C=CCCC(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300008053515	0	38	-1.0	-44.26	343.47	5.96	-38.30
C=CCCC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300008053516	0	36	-1.0	-53.17	329.07	3.90	-49.27
C=CCCC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300008053517	0	47	-1.0	-53.92	385.24	6.98	-46.94
C=CCCC(NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300008053518	0	33	-1.0	-52.63	314.28	2.79	-49.84
C=CCCC(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008053519	0	43	-1.0	-52.83	359.23	6.71	-46.12
C=CCCC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300008053520	0	40	-1.0	-52.43	332.26	3.97	-48.46
C=CCCC(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300008053521	0	35	-1.0	-42.73	323.28	3.10	-39.63
C=CCCC(NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300008053522	0	42	-1.0	-43.92	367.18	5.12	-38.80
C=CCCC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300008053523	0	42	-1.0	-48.37	369.27	5.64	-42.73
C=CCCC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300008053524	0	45	-1.0	-47.55	377.00	5.35	-42.20
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008053525	0	43	-1.0	-52.13	378.47	7.19	-44.94
C=CCCC(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300008053526	0	35	-1.0	-57.38	307.18	5.33	-52.05
C=CCCC(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300008053527	0	38	-1.0	-41.44	346.04	6.11	-35.33
C=CCCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300008053528	0	41	-1.0	-57.58	346.64	7.12	-50.46
C=CCCC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008053529	0	42	-1.0	-49.35	358.12	5.61	-43.74
C=CCCC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300008053530	0	36	-1.0	-53.00	329.11	5.64	-47.36
C=CCCC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008053531	0	36	-1.0	-41.95	341.55	6.18	-35.77
C=CCCC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008053532	0	36	-1.0	-52.73	344.23	6.18	-46.55
C=CCCC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300008053533	0	37	-1.0	-42.54	332.37	-1.70	-44.24
C=CCCC(NS(=O)(=O)C1=CN=C2C=CC=CN21)C(=O)[O-]	REAL300008053534	0	35	-1.0	-50.98	313.84	4.74	-46.24
C=CCCC(NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300008053535	0	38	-1.0	-39.85	322.77	4.88	-34.97
C=CCCC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300008053536	0	34	-1.0	-52.74	320.46	3.74	-49.00
C=CCCC(NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300008053537	0	40	-1.0	-54.95	344.51	1.52	-53.43
C=CCCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008053538	0	41	-1.0	-59.13	362.33	3.95	-55.18
C=CCCC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300008053539	0	49	-1.0	-42.68	366.18	7.24	-35.44
C=CCCC(NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300008053540	0	42	-1.0	-59.75	350.01	3.51	-56.24
C=CCCC(NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300008053541	0	35	-1.0	-44.22	316.84	0.01	-44.21
C=CCCC(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300008053542	0	40	-1.0	-46.61	328.27	4.84	-41.77
C=CCCC(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300008053543	0	40	-1.0	-53.44	356.50	1.14	-52.30
C=CCCC(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300008053544	0	45	-1.0	-57.09	363.71	4.69	-52.40
C=CCCC(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300008053545	0	42	-1.0	-54.98	359.96	6.63	-48.35
C=CCCC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008053546	0	36	-1.0	-63.32	337.42	3.37	-59.95
C=CCCC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300008053547	0	42	-1.0	-41.46	369.97	7.23	-34.23
C=CCCC(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300008053548	0	41	-1.0	-43.05	339.75	1.77	-41.28
C=CCCC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300008053549	0	45	-1.0	-42.05	356.52	6.36	-35.69
C=CCCC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300008053550	0	36	-1.0	-54.36	334.32	5.68	-48.68
C=CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300008053551	0	54	-1.0	-54.66	419.17	8.51	-46.15
C=CCCC(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008053552	0	43	-1.0	-54.20	363.25	5.36	-48.84
C=CCCC(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300008053553	0	37	-1.0	-55.36	333.40	1.89	-53.47
C=CCCC(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300008053554	0	44	-1.0	-43.38	346.09	4.80	-38.58
C=CCCC(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300008053555	0	43	-1.0	-40.06	358.89	6.02	-34.04
C=CCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300008053556	0	36	-1.0	-45.41	338.73	5.21	-40.20
C=CCCC(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008053557	0	36	-1.0	-43.78	325.90	3.94	-39.84
C=CCCC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300008053558	0	36	-1.0	-56.43	335.27	3.98	-52.45
C=CCCC(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300008053559	0	38	-1.0	-52.42	333.91	4.25	-48.17
C=CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300008053560	0	39	-1.0	-49.45	342.06	6.14	-43.31
C=CCCC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300008053561	0	41	-1.0	-41.64	367.22	4.85	-36.79
C=CCCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008053562	0	45	-1.0	-54.88	378.56	6.66	-48.22
C=CCCC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008053563	0	43	-1.0	-45.78	378.95	7.26	-38.52
C=CCCC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300008053564	0	38	-1.0	-65.37	319.48	5.50	-59.87
C=CCCC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300008053565	0	33	-1.0	-43.84	316.95	3.29	-40.55
C=CCCC(NS(=O)(=O)C1=CC=CC(OCC(=C)C)=C1)C(=O)[O-]	REAL300008053566	0	43	-1.0	-45.75	374.28	6.02	-39.73
C=CCCC(NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300008053567	0	42	-1.0	-48.09	368.12	5.12	-42.97
C=CCCC(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300008053568	0	36	-1.0	-63.75	329.03	3.76	-59.99
C=CCCC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300008053569	0	38	-1.0	-52.48	352.17	7.12	-45.36
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008053570	0	42	-1.0	-44.65	381.54	8.34	-36.31
C=CCCC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300008053571	0	31	-1.0	-48.96	317.21	2.35	-46.61
C=CCCC(NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300008053572	0	38	-1.0	-50.29	348.59	6.22	-44.07
C=CCCC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300008053573	0	45	-1.0	-49.56	377.06	5.58	-43.98
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300008053574	0	29	-1.0	-38.76	297.25	3.91	-34.85
C=CCCC(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300008053575	0	46	-1.0	-43.72	379.21	4.69	-39.03
C=CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300008053576	0	38	-1.0	-44.90	343.88	7.12	-37.78
C=CCCC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300008053577	0	40	-1.0	-46.94	336.18	2.02	-44.92
C=CCCC(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300008053578	0	39	-1.0	-43.78	331.32	6.56	-37.22
C=CCCC(NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300008053579	0	43	-1.0	-41.81	343.05	4.50	-37.31
C=CCCC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300008053580	0	47	-1.0	-52.62	391.46	4.73	-47.89
C=CCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300008053581	0	35	-1.0	-42.44	330.63	2.04	-40.40
C=CCCC(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300008053582	0	38	-1.0	-49.92	336.97	1.77	-48.15
C=CCCC(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300008053583	0	41	-1.0	-46.96	358.03	4.52	-42.44
C=CCCC(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300008053584	0	41	-1.0	-45.66	347.58	3.91	-41.75
C=CCCC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300008053585	0	42	-1.0	-38.55	340.48	1.88	-36.67
C=CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008053586	0	37	-1.0	-39.95	338.74	6.48	-33.47
C=CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300008053587	0	43	-1.0	-48.42	363.01	4.80	-43.62
C=CCCC(NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300008053588	0	38	-1.0	-49.37	330.70	3.59	-45.78
C=CCCC(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300008053589	0	39	-1.0	-43.00	337.15	4.53	-38.47
C=CCCC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300008053590	0	39	-1.0	-57.75	338.12	5.01	-52.74
C=CCCC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300008053591	0	34	-1.0	-48.54	318.80	3.34	-45.20
C=CCCC(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300008053592	0	37	-1.0	-63.01	324.02	4.73	-58.28
C=CCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300008053593	0	41	-1.0	-45.60	354.04	4.21	-41.39
C=CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300008053594	0	46	-1.0	-52.21	398.64	7.89	-44.32
C=CCCC(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008053595	0	37	-1.0	-60.80	322.51	5.24	-55.56
C=CCCC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300008053596	0	35	-1.0	-50.57	312.41	3.72	-46.85
C=CCCC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300008053597	0	40	-1.0	-48.40	344.96	0.11	-48.29
C=CCCC(NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300008053598	0	39	-1.0	-55.11	310.57	3.00	-52.11
C=CCCC(NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300008053599	0	38	-1.0	-56.92	327.78	3.81	-53.11
C=CCCC(NS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300008053600	0	35	-1.0	-56.32	315.37	1.74	-54.58
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300008053601	0	39	-1.0	-44.88	334.72	5.00	-39.88
C=CCCC(NS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300008053602	0	35	-1.0	-47.37	316.03	1.77	-45.60
C=CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300008053603	0	38	-1.0	-51.56	354.65	2.59	-48.97
C=CCCC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300008053604	0	37	-1.0	-53.36	324.55	4.71	-48.65
C=CCCC(NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300008053605	0	38	-1.0	-61.11	332.66	3.66	-57.45
C=CCCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008053606	0	40	-1.0	-50.61	331.45	5.93	-44.68
C=CCCC(NS(=O)(=O)C1=CNC2=CC=CC=C21)C(=O)[O-]	REAL300008053607	0	36	-1.0	-48.18	308.82	3.81	-44.37
C=CCCC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300008053608	0	34	-1.0	-60.68	319.75	3.37	-57.31
C=CCCC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300008053609	0	39	-1.0	-45.41	348.22	4.85	-40.56
C=CCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300008053610	0	45	-1.0	-46.19	377.63	6.45	-39.74
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC=C1	REAL300008053611	0	31	-1.0	-55.03	300.44	3.07	-51.96
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC(F)=C1	REAL300008053612	0	31	-1.0	-41.65	305.65	3.16	-38.49
CC(=O)C1=CC=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053613	0	36	-1.0	-49.43	339.73	3.48	-45.95
CCCCN(C)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053614	0	38	-1.0	-52.42	340.23	2.66	-49.76
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CS1	REAL300008053615	0	28	-1.0	-42.41	291.17	2.11	-40.30
CCC(C)C1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053616	0	43	-1.0	-54.11	379.14	5.67	-48.44
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300008053617	0	31	-1.0	-44.68	315.32	2.92	-41.76
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(Cl)S1	REAL300008053618	0	28	-1.0	-41.02	310.47	2.74	-38.28
COC1=CC=C(C)C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053619	0	38	-1.0	-45.62	332.99	3.88	-41.74
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008053620	0	35	-1.0	-43.89	325.29	3.59	-40.30
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)N1CCOCC1	REAL300008053621	0	34	-1.0	-43.02	310.38	-0.12	-43.14
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053622	0	37	-1.0	-59.09	361.43	0.58	-58.51
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008053623	0	35	-1.0	-48.70	346.45	2.87	-45.83
COC1=CC(C)=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1OC	REAL300008053624	0	42	-1.0	-44.39	367.52	2.89	-41.50
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053625	0	34	-1.0	-40.33	330.03	4.48	-35.85
CN1C=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300008053626	0	31	-1.0	-45.66	306.05	0.84	-44.82
CCN(CC)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053627	0	35	-1.0	-52.10	309.56	1.89	-50.21
CN(C1CCCCC1)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053628	0	42	-1.0	-53.75	346.55	3.65	-50.10
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053629	0	37	-1.0	-50.68	335.58	2.06	-48.62
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008053630	0	47	-1.0	-54.05	402.35	6.88	-47.17
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008053631	0	37	-1.0	-56.92	344.92	2.23	-54.69
CCC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053632	0	37	-1.0	-54.58	343.38	4.52	-50.06
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC=C1Br	REAL300008053633	0	31	-1.0	-44.07	316.94	3.86	-40.21
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008053634	0	31	-1.0	-41.21	320.54	3.72	-37.49
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053635	0	36	-1.0	-56.74	329.29	5.15	-51.59
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008053636	0	37	-1.0	-42.89	362.06	5.10	-37.79
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053637	0	41	-1.0	-62.75	383.81	-0.41	-63.16
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053638	0	42	-1.0	-51.23	383.33	4.90	-46.33
CC1=CC(F)=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053639	0	34	-1.0	-55.23	328.26	3.81	-51.42
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCC1CC1	REAL300008053640	0	34	-1.0	-42.18	317.03	3.13	-39.05
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008053641	0	37	-1.0	-52.90	341.97	3.46	-49.44
COCC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053642	0	38	-1.0	-55.43	355.80	2.79	-52.64
CCOC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300008053643	0	37	-1.0	-49.39	349.54	0.69	-48.70
CS(=O)(=O)CCCS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053644	0	36	-1.0	-66.91	349.51	-0.92	-67.83
COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(C)=C1C	REAL300008053645	0	41	-1.0	-44.81	359.16	3.90	-40.91
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008053646	0	36	-1.0	-57.12	341.36	3.45	-53.67
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=NOC=C1	REAL300008053647	0	30	-1.0	-60.53	299.31	1.04	-59.49
CC1=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=NN1C	REAL300008053648	0	34	-1.0	-45.80	322.52	1.37	-44.43
CN(C1CCOCC1)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053649	0	40	-1.0	-41.34	343.20	1.07	-40.27
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)N1CC2CCC1C2	REAL300008053650	0	37	-1.0	-46.17	321.92	2.51	-43.66
CC1=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008053651	0	40	-1.0	-50.94	369.92	4.31	-46.63
CCN1N=C(C)C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1C	REAL300008053652	0	40	-1.0	-50.51	357.39	2.93	-47.58
CC(C)N1C=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300008053653	0	37	-1.0	-56.01	341.51	2.00	-54.01
CC(C)CN1C=NC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053654	0	40	-1.0	-51.28	366.04	4.10	-47.18
CC(C)N1C=NC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053655	0	37	-1.0	-52.25	346.94	3.51	-48.74
CC(C)C1=NC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CN1	REAL300008053656	0	37	-1.0	-50.45	343.04	1.52	-48.93
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053657	0	43	-1.0	-56.77	346.14	5.94	-50.83
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053658	0	39	-1.0	-70.53	366.52	2.48	-68.05
CC1=C(F)C=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053659	0	34	-1.0	-41.81	314.28	3.73	-38.08
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008053660	0	37	-1.0	-54.25	347.41	5.52	-48.73
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008053661	0	35	-1.0	-51.28	345.90	2.72	-48.56
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053662	0	46	-1.0	-50.28	397.24	4.46	-45.82
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008053663	0	34	-1.0	-51.91	334.65	4.01	-47.90
COCC1=CC=C(OC)C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053664	0	42	-1.0	-45.85	368.40	2.64	-43.21
COCCC(C)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053665	0	37	-1.0	-40.88	331.43	1.50	-39.38
COC1=CC=C(F)C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053666	0	35	-1.0	-42.08	319.75	2.99	-39.09
CCC(C)CS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053667	0	36	-1.0	-53.34	319.59	2.95	-50.39
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008053668	0	49	-1.0	-52.53	387.45	4.73	-47.80
CC1=NC2=C(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])C=CC=C2C=C1	REAL300008053669	0	39	-1.0	-51.94	343.93	4.60	-47.34
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008053670	0	39	-1.0	-67.53	365.49	4.94	-62.59
CCN(CC1CC1)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053671	0	39	-1.0	-54.63	342.73	3.57	-51.06
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008053672	0	42	-1.0	-55.48	374.28	1.50	-53.98
CCCN1C=NC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053673	0	37	-1.0	-49.68	346.57	3.83	-45.85
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCOCC1CC1	REAL300008053674	0	38	-1.0	-52.18	351.58	2.36	-49.82
CC(COC1CCCC1)CS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053675	0	47	-1.0	-53.92	401.39	4.40	-49.52
CCOCC(C)CS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053676	0	40	-1.0	-40.14	352.62	2.34	-37.80
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008053677	0	39	-1.0	-54.53	352.47	0.53	-54.00
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008053678	0	35	-1.0	-40.92	325.06	3.46	-37.46
COC1=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008053679	0	37	-1.0	-49.35	356.20	3.79	-45.56
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053680	0	37	-1.0	-39.75	352.36	4.99	-34.76
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053681	0	37	-1.0	-40.18	349.67	4.91	-35.27
CC1=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CC=C1C(F)(F)F	REAL300008053682	0	37	-1.0	-49.94	354.87	4.59	-45.35
CC(C)C1=CC=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053683	0	40	-1.0	-43.08	346.92	4.99	-38.09
CCOC1=CC=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053684	0	38	-1.0	-53.63	352.05	3.28	-50.35
COCCN1C=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300008053685	0	38	-1.0	-50.61	361.19	0.68	-49.93
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008053686	0	38	-1.0	-55.37	365.08	3.60	-51.77
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008053687	0	39	-1.0	-55.68	374.04	5.22	-50.46
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008053688	0	36	-1.0	-56.93	341.64	3.41	-53.52
CC1CCN(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300008053689	0	36	-1.0	-53.18	314.40	1.57	-51.61
COCC1=CC=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053690	0	38	-1.0	-44.58	344.64	3.18	-41.40
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008053691	0	34	-1.0	-51.11	343.28	2.06	-49.05
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008053692	0	34	-1.0	-58.29	339.46	1.95	-56.34
CC1(C)CC2=CC(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])=CC=C2O1	REAL300008053693	0	42	-1.0	-53.33	378.17	4.31	-49.02
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008053694	0	34	-1.0	-48.18	328.27	2.10	-46.08
CSC1=CC=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053695	0	35	-1.0	-58.32	326.56	3.92	-54.40
CCC1=CC=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053696	0	37	-1.0	-43.85	342.13	4.52	-39.33
CCC1=CC=C(CS(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053697	0	40	-1.0	-55.55	367.21	5.19	-50.36
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCC1=CC=CS1	REAL300008053698	0	34	-1.0	-54.22	336.05	3.63	-50.59
CC1=CC=C(CS(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1C	REAL300008053699	0	40	-1.0	-56.27	362.74	4.95	-51.32
CC(C)CN(C)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053700	0	38	-1.0	-53.07	333.47	2.27	-50.80
CN(C1CCCC1)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053701	0	39	-1.0	-42.62	333.35	2.78	-39.84
CCCN(C)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053702	0	35	-1.0	-52.32	318.73	1.88	-50.44
CC1(C)CN(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])CCO1	REAL300008053703	0	40	-1.0	-51.42	346.61	1.25	-50.17
CC1=NOC(CS(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053704	0	33	-1.0	-53.29	321.26	1.90	-51.39
CC(C)N1N=CC2=CC(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])=CC=C21	REAL300008053705	0	43	-1.0	-53.56	391.15	4.59	-48.97
CCS(=O)(=O)NCCS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053706	0	38	-1.0	-57.18	364.15	-2.18	-59.36
CC1=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008053707	0	37	-1.0	-55.44	355.68	4.37	-51.07
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008053708	0	37	-1.0	-48.57	358.83	5.99	-42.58
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O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008053710	0	37	-1.0	-56.34	361.72	4.84	-51.50
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008053711	0	42	-1.0	-55.28	381.72	4.37	-50.91
CC1=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008053712	0	40	-1.0	-57.82	371.50	6.04	-51.78
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1N(C)C	REAL300008053713	0	42	-1.0	-53.30	368.41	3.51	-49.79
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008053714	0	36	-1.0	-46.11	322.34	0.39	-45.72
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCOCC1CCCC1	REAL300008053715	0	44	-1.0	-51.83	385.07	3.54	-48.29
COC1=CC(C)=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1Cl	REAL300008053716	0	38	-1.0	-42.85	358.90	3.67	-39.18
CSC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1Cl	REAL300008053717	0	35	-1.0	-49.84	355.88	4.52	-45.32
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053718	0	43	-1.0	-51.23	373.48	3.51	-47.72
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008053719	0	39	-1.0	-52.52	371.65	1.62	-50.90
CCC1=NOC2=NC=C(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])C=C12	REAL300008053720	0	38	-1.0	-53.04	362.01	0.75	-52.29
CN1N=CC2=CC(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])=CN=C21	REAL300008053721	0	36	-1.0	-46.02	345.85	2.26	-43.76
CCC1=CC(CC)=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(CC)=C1	REAL300008053722	0	49	-1.0	-53.35	391.02	7.49	-45.86
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008053723	0	38	-1.0	-65.82	347.71	3.13	-62.69
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008053724	0	40	-1.0	-65.90	359.94	6.46	-59.44
COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(C)=C1F	REAL300008053725	0	38	-1.0	-44.21	344.44	3.20	-41.01
CC1(CS(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])CCCCC1	REAL300008053726	0	43	-1.0	-41.70	346.41	4.56	-37.14
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008053727	0	40	-1.0	-55.18	349.22	4.04	-51.14
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008053728	0	39	-1.0	-50.93	370.00	4.33	-46.60
CN1N=NC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053729	0	30	-1.0	-44.86	291.75	-0.54	-45.40
COCC1=CC(Cl)=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053730	0	38	-1.0	-54.56	372.24	3.30	-51.26
CC1=CC=C(CS(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(F)=C1	REAL300008053731	0	37	-1.0	-59.56	350.81	4.49	-55.07
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008053733	0	31	-1.0	-40.60	334.07	3.32	-37.28
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008053734	0	44	-1.0	-54.97	389.32	6.33	-48.64
CC(C)(C)C1=CC(CS(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=NO1	REAL300008053735	0	42	-1.0	-53.98	382.21	3.81	-50.17
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCC1CCC1	REAL300008053736	0	37	-1.0	-54.00	334.14	3.61	-50.39
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008053737	0	40	-1.0	-49.21	361.20	0.26	-48.95
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008053738	0	34	-1.0	-46.54	337.68	3.59	-42.95
CC1=C(CCS(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])SC=N1	REAL300008053739	0	36	-1.0	-53.81	349.35	2.27	-51.54
COCC1(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300008053740	0	35	-1.0	-56.84	315.59	1.91	-54.93
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC12CCC(CC1)C2	REAL300008053741	0	41	-1.0	-43.45	348.52	4.50	-38.95
COC1=CC=C2C=C(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])CCC2=C1	REAL300008053742	0	43	-1.0	-54.36	380.73	4.63	-49.73
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCC1CCOC1	REAL300008053743	0	38	-1.0	-54.17	339.62	1.58	-52.59
CC(C)(CCS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-])S(C)(=O)=O	REAL300008053744	0	42	-1.0	-60.38	372.74	0.23	-60.15
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1CCCCC1(F)F	REAL300008053745	0	40	-1.0	-52.79	353.73	4.24	-48.55
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008053746	0	38	-1.0	-53.34	352.15	5.23	-48.11
CN1C=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300008053747	0	31	-1.0	-50.23	306.35	0.68	-49.55
CCC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008053748	0	39	-1.0	-48.42	362.84	4.92	-43.50
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008053749	0	31	-1.0	-50.78	317.21	3.59	-47.19
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008053750	0	31	-1.0	-50.60	321.78	3.70	-46.90
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008053751	0	33	-1.0	-48.92	328.71	3.75	-45.17
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008053752	0	37	-1.0	-56.09	346.33	5.34	-50.75
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008053753	0	33	-1.0	-43.00	329.72	3.80	-39.20
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053754	0	36	-1.0	-40.92	338.70	4.56	-36.36
COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053755	0	35	-1.0	-53.08	329.97	2.37	-50.71
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008053756	0	33	-1.0	-51.17	317.23	4.61	-46.56
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053757	0	34	-1.0	-55.31	322.14	3.73	-51.58
CCOC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053758	0	38	-1.0	-52.68	351.82	3.30	-49.38
CC1=CC(C)=C(C)C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1C	REAL300008053759	0	43	-1.0	-54.50	356.15	5.46	-49.04
CC1=CC(C)=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(C)=C1	REAL300008053760	0	40	-1.0	-54.48	347.09	5.27	-49.21
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053761	0	46	-1.0	-44.38	389.49	6.29	-38.09
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008053762	0	34	-1.0	-49.75	339.75	4.08	-45.67
CC1=CC=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053763	0	34	-1.0	-55.20	322.10	3.73	-51.47
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C=CC1=CC=CC=C1	REAL300008053764	0	35	-1.0	-54.38	333.83	4.28	-50.10
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008053765	0	34	-1.0	-45.49	321.77	4.53	-40.96
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008053766	0	31	-1.0	-41.23	315.97	3.61	-37.62
CC(=O)C1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053767	0	36	-1.0	-52.34	343.45	3.55	-48.79
CC1=CC=C(C)C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053768	0	37	-1.0	-43.14	332.02	4.56	-38.58
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1C	REAL300008053769	0	37	-1.0	-56.09	339.10	4.25	-51.84
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(C)=C1	REAL300008053770	0	37	-1.0	-43.22	331.86	4.55	-38.67
COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008053771	0	37	-1.0	-62.75	356.21	3.79	-58.96
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053772	0	43	-1.0	-54.51	376.94	5.37	-49.14
CC(C)C1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053773	0	40	-1.0	-54.54	360.93	4.99	-49.55
CCCC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053774	0	40	-1.0	-54.63	365.12	5.28	-49.35
COC1=CC=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053775	0	35	-1.0	-45.27	313.32	2.92	-42.35
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=CC=CC=C1	REAL300008053776	0	34	-1.0	-55.50	324.08	3.78	-51.72
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008053777	0	35	-1.0	-51.38	346.71	2.85	-48.53
CC1=C(C)C(C)=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(C)=C1C	REAL300008053778	0	46	-1.0	-55.55	369.48	5.92	-49.63
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008053779	0	40	-1.0	-56.84	363.50	3.00	-53.84
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053780	0	47	-1.0	-45.68	387.67	5.54	-40.14
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008053781	0	36	-1.0	-48.88	344.68	4.27	-44.61
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053782	0	49	-1.0	-53.93	402.13	6.90	-47.03
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008053783	0	34	-1.0	-50.18	339.46	4.05	-46.13
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008053784	0	41	-1.0	-55.99	363.19	5.57	-50.42
COC1=CC=C(OC)C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053785	0	39	-1.0	-45.96	341.07	2.51	-43.45
COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1OC	REAL300008053786	0	39	-1.0	-52.64	359.16	2.28	-50.36
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008053787	0	38	-1.0	-47.30	347.02	5.03	-42.27
CC1=NOC(C)=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053788	0	33	-1.0	-46.06	311.94	1.99	-44.07
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008053789	0	39	-1.0	-54.72	351.10	5.36	-49.36
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008053790	0	36	-1.0	-45.89	337.42	2.98	-42.91
CC(C)CCC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053791	0	46	-1.0	-54.59	404.18	6.57	-48.02
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053792	0	36	-1.0	-56.84	354.97	-1.98	-58.82
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1C	REAL300008053793	0	39	-1.0	-40.60	355.12	4.95	-35.65
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)N1CCCCCC1	REAL300008053794	0	39	-1.0	-53.39	330.33	3.09	-50.30
CC1=CC2=CC=CC(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])=C2N=C1	REAL300008053795	0	39	-1.0	-51.84	346.55	4.85	-46.99
COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008053796	0	37	-1.0	-50.28	348.30	3.92	-46.36
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053797	0	35	-1.0	-41.86	328.29	3.74	-38.12
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053798	0	36	-1.0	-54.61	354.72	-1.97	-56.58
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)N1CCCCC1	REAL300008053799	0	36	-1.0	-39.31	305.04	1.94	-37.37
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)N1CCCC1	REAL300008053800	0	33	-1.0	-53.67	301.57	1.34	-52.33
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008053801	0	40	-1.0	-43.09	354.88	4.38	-38.71
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C2=CC=CN=C12	REAL300008053802	0	39	-1.0	-46.89	352.27	4.23	-42.66
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1C	REAL300008053803	0	39	-1.0	-52.03	357.34	5.82	-46.21
CC1CCN(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300008053804	0	39	-1.0	-52.46	339.35	2.86	-49.60
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008053805	0	43	-1.0	-68.35	387.22	2.43	-65.92
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053806	0	37	-1.0	-56.72	361.42	0.57	-56.15
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008053807	0	41	-1.0	-45.90	363.98	6.94	-38.96
CC1CC(C)CN(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300008053808	0	42	-1.0	-43.45	332.93	3.40	-40.05
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008053809	0	37	-1.0	-47.16	337.01	5.30	-41.86
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008053810	0	41	-1.0	-55.13	374.90	6.47	-48.66
CC1=CC=C(F)C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053811	0	34	-1.0	-41.50	320.03	4.03	-37.47
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008053812	0	32	-1.0	-47.76	312.69	1.50	-46.26
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053813	0	35	-1.0	-42.01	330.05	3.44	-38.57
COC1=CC=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053814	0	35	-1.0	-53.78	329.96	2.37	-51.41
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053815	0	46	-1.0	-54.35	390.92	5.87	-48.48
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1Cl	REAL300008053816	0	34	-1.0	-55.55	336.14	4.15	-51.40
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053817	0	41	-1.0	-54.51	369.98	3.90	-50.61
CCC1=CC=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053818	0	37	-1.0	-43.17	329.59	4.79	-38.38
CC1=CC=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053819	0	34	-1.0	-43.43	313.38	3.96	-39.47
CC1=NC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CN1C	REAL300008053820	0	34	-1.0	-57.26	324.97	1.96	-55.30
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008053821	0	32	-1.0	-51.13	305.26	2.21	-48.92
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008053822	0	36	-1.0	-51.44	324.73	4.13	-47.31
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053823	0	37	-1.0	-40.33	339.78	3.88	-36.45
COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1F	REAL300008053824	0	35	-1.0	-49.86	336.15	2.45	-47.41
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1F	REAL300008053825	0	34	-1.0	-56.15	327.16	3.78	-52.37
CN1C=NC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053826	0	31	-1.0	-50.70	303.25	2.17	-48.53
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CN=C1	REAL300008053827	0	30	-1.0	-42.88	294.22	1.32	-41.56
CC1CCCCN1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053828	0	39	-1.0	-53.48	327.37	3.04	-50.44
CC(C)N(C)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053829	0	35	-1.0	-42.87	310.89	1.63	-41.24
CCCN(CCC)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053830	0	41	-1.0	-52.37	352.58	3.40	-48.97
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008053831	0	34	-1.0	-54.33	356.00	4.75	-49.58
COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C2=CC=CC=C12	REAL300008053832	0	41	-1.0	-49.12	370.47	4.84	-44.28
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053833	0	36	-1.0	-38.50	338.67	4.55	-33.95
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053834	0	36	-1.0	-44.38	336.96	4.35	-40.03
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053835	0	39	-1.0	-41.65	358.70	5.53	-36.12
CC(C)CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053836	0	43	-1.0	-54.47	381.64	5.76	-48.71
COCCC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053837	0	41	-1.0	-54.61	377.29	3.57	-51.04
COCCN(CCOC)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053838	0	43	-1.0	-42.27	372.23	0.42	-41.85
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053839	0	34	-1.0	-40.43	327.34	4.42	-36.01
COC1=C(C)C=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1C	REAL300008053840	0	41	-1.0	-46.67	375.08	4.01	-42.66
CC(C)CCOC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053841	0	47	-1.0	-52.42	412.63	5.39	-47.03
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008053842	0	45	-1.0	-52.36	395.10	5.29	-47.07
CC(C)COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053843	0	44	-1.0	-52.51	393.67	4.78	-47.73
CCCOC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053844	0	41	-1.0	-52.40	373.32	4.10	-48.30
COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1Cl	REAL300008053845	0	35	-1.0	-50.06	345.95	2.93	-47.13
COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1C	REAL300008053846	0	38	-1.0	-53.54	350.24	3.09	-50.45
CC1=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CC=C1OC(C)C	REAL300008053847	0	44	-1.0	-53.28	390.03	4.64	-48.64
COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(C)=C1	REAL300008053848	0	38	-1.0	-44.14	342.82	3.26	-40.88
COCCOC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053849	0	42	-1.0	-54.37	385.45	2.57	-51.80
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=CC=CC=C1F	REAL300008053850	0	34	-1.0	-55.59	329.63	3.78	-51.81
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1C	REAL300008053851	0	39	-1.0	-56.23	347.24	5.64	-50.59
CC1=NC(C)=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300008053852	0	33	-1.0	-42.82	327.09	1.57	-41.25
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008053853	0	34	-1.0	-44.20	332.94	4.33	-39.87
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1CCCC1	REAL300008053854	0	37	-1.0	-54.21	328.26	3.46	-50.75
COC1=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CC=C1F	REAL300008053855	0	35	-1.0	-49.90	336.39	2.42	-47.48
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CSC=C1	REAL300008053856	0	28	-1.0	-53.04	291.89	1.99	-51.05
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008053857	0	41	-1.0	-54.20	374.90	6.46	-47.74
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008053858	0	34	-1.0	-52.69	357.79	4.77	-47.92
CNC(=O)C1=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CN1C	REAL300008053859	0	39	-1.0	-55.38	365.47	0.73	-54.65
COC1=CC(C)=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(C)=C1	REAL300008053860	0	41	-1.0	-54.47	356.10	3.88	-50.59
COC1=CC(C)=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1C	REAL300008053861	0	41	-1.0	-43.49	360.42	3.93	-39.56
CC1=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008053862	0	39	-1.0	-56.55	346.54	4.29	-52.26
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008053863	0	36	-1.0	-47.16	332.38	3.52	-43.64
CCN1C=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008053864	0	36	-1.0	-55.80	351.87	4.00	-51.80
CCC(=O)C1=CC=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053865	0	39	-1.0	-57.93	363.78	4.33	-53.60
CN(C1CC1)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053866	0	33	-1.0	-52.69	299.71	1.70	-50.99
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008053867	0	41	-1.0	-45.81	385.22	4.66	-41.15
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008053868	0	34	-1.0	-60.31	326.18	2.23	-58.08
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053869	0	53	-1.0	-52.73	430.52	5.98	-46.75
CC1=CC=CC(CS(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053870	0	37	-1.0	-56.08	345.74	4.42	-51.66
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008053871	0	34	-1.0	-56.93	330.74	3.82	-53.11
CC1=CC=CC=C1CS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053872	0	37	-1.0	-55.81	339.88	4.37	-51.44
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053873	0	41	-1.0	-45.85	354.93	4.44	-41.41
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008053874	0	36	-1.0	-58.58	348.98	3.24	-55.34
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008053875	0	38	-1.0	-55.32	362.10	4.19	-51.13
CCCCCOC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053876	0	47	-1.0	-52.47	416.56	5.65	-46.82
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008053877	0	41	-1.0	-55.92	350.85	5.47	-50.45
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300008053878	0	36	-1.0	-45.45	337.47	2.42	-43.03
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008053879	0	39	-1.0	-61.08	363.97	4.33	-56.75
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008053880	0	36	-1.0	-52.73	348.75	3.25	-49.48
CCOC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(C)=C1	REAL300008053881	0	41	-1.0	-44.11	364.69	4.19	-39.92
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008053882	0	35	-1.0	-44.61	320.29	3.11	-41.50
CSC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053883	0	35	-1.0	-52.50	340.67	4.10	-48.40
CCCCCCCS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053884	0	42	-1.0	-53.37	371.63	4.67	-48.70
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008053885	0	37	-1.0	-57.18	363.39	4.77	-52.41
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053886	0	42	-1.0	-54.19	366.39	4.78	-49.41
CCN1C=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])N=C1C	REAL300008053887	0	37	-1.0	-57.05	346.99	2.86	-54.19
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008053888	0	37	-1.0	-48.26	342.20	2.76	-45.50
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008053889	0	36	-1.0	-47.54	337.51	3.59	-43.95
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1CCCO1	REAL300008053890	0	35	-1.0	-44.88	319.43	1.41	-43.47
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1CCCCO1	REAL300008053891	0	38	-1.0	-57.56	338.26	2.09	-55.47
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1C(F)(F)F	REAL300008053892	0	37	-1.0	-56.55	355.11	4.56	-51.99
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008053893	0	40	-1.0	-58.72	365.29	4.67	-54.05
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])C=C12	REAL300008053894	0	39	-1.0	-53.63	367.07	2.76	-50.87
COCC1=CC=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053895	0	38	-1.0	-55.61	355.53	2.80	-52.81
CC1(C)CC2=CC=CC(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])=C2O1	REAL300008053896	0	42	-1.0	-49.17	364.00	4.36	-44.81
CCN1C=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300008053897	0	34	-1.0	-50.90	327.28	1.65	-49.25
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300008053898	0	34	-1.0	-54.68	337.90	4.20	-50.48
CC(C1CC1)N(C)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053899	0	39	-1.0	-43.78	337.18	3.07	-40.71
CN1N=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053900	0	31	-1.0	-50.02	291.87	0.42	-49.60
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008053901	0	34	-1.0	-56.11	351.23	4.67	-51.44
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1CCOC1	REAL300008053902	0	35	-1.0	-43.34	316.25	1.03	-42.31
CC1CC2=CC(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])=CC=C2O1	REAL300008053903	0	39	-1.0	-44.48	356.31	3.71	-40.77
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053904	0	43	-1.0	-53.96	347.97	6.10	-47.86
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008053905	0	37	-1.0	-52.47	367.35	3.75	-48.72
CCCCCS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053906	0	36	-1.0	-53.65	328.87	3.08	-50.57
COCCN(C)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053907	0	36	-1.0	-42.45	320.33	0.31	-42.14
CN(CC1CC1)S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053908	0	36	-1.0	-52.95	329.54	2.65	-50.30
CC1=NC(C2=CC=C(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])C=C2)=CO1	REAL300008053909	0	40	-1.0	-54.63	376.86	2.14	-52.49
CN1C=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300008053910	0	34	-1.0	-47.25	334.92	1.95	-45.30
CC1=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C(C)O1	REAL300008053911	0	34	-1.0	-43.72	320.57	2.52	-41.20
CC1=CSC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053912	0	31	-1.0	-42.82	312.81	2.78	-40.04
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008053913	0	34	-1.0	-51.36	331.26	3.51	-47.85
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008053914	0	34	-1.0	-50.82	326.74	1.71	-49.11
COC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300008053915	0	34	-1.0	-43.03	326.42	-0.21	-43.24
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CO1	REAL300008053916	0	28	-1.0	-55.15	284.37	1.12	-54.03
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN=C2CCCN12	REAL300008053917	0	35	-1.0	-48.71	326.79	2.49	-46.22
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=COC=C1	REAL300008053918	0	28	-1.0	-44.11	284.03	1.02	-43.09
CC1=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])SC=C1	REAL300008053919	0	31	-1.0	-41.97	299.48	2.41	-39.56
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008053920	0	39	-1.0	-54.12	354.43	3.69	-50.43
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CNC=N1	REAL300008053921	0	28	-1.0	-49.64	282.81	0.52	-49.12
CC1=CC=C(N2C=C(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])C=N2)C=C1	REAL300008053922	0	41	-1.0	-48.62	383.47	4.92	-43.70
CC1=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008053923	0	36	-1.0	-49.35	344.65	4.26	-45.09
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCCCF	REAL300008053924	0	33	-1.0	-53.83	313.72	2.47	-51.36
CC1=NN(C)C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053925	0	34	-1.0	-46.14	321.90	1.27	-44.87
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])O1	REAL300008053926	0	31	-1.0	-55.78	306.28	1.95	-53.83
CC1=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])N(C)N=C1	REAL300008053927	0	34	-1.0	-43.12	315.59	1.50	-41.62
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008053928	0	33	-1.0	-51.96	332.74	2.54	-49.42
CN(C)C1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053929	0	39	-1.0	-56.23	351.97	3.48	-52.75
CC1=CC2=CC=C(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])C=C2C=C1	REAL300008053930	0	40	-1.0	-55.73	367.65	5.99	-49.74
COC1=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])SC=C1	REAL300008053931	0	32	-1.0	-44.66	310.77	1.05	-43.61
C=CCCCS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053932	0	34	-1.0	-53.64	319.94	2.89	-50.75
CN(C)C1=CC=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053933	0	39	-1.0	-55.27	352.99	3.50	-51.77
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1CCC1	REAL300008053934	0	34	-1.0	-54.31	312.40	2.86	-51.45
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008053935	0	36	-1.0	-48.60	324.77	3.62	-44.98
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008053936	0	36	-1.0	-55.16	347.44	3.13	-52.03
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008053937	0	36	-1.0	-54.08	336.47	2.89	-51.19
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008053938	0	37	-1.0	-53.02	362.28	5.09	-47.93
CN1CCCC2=CC=C(S(=O)(=O)NC(CC3=NC=CS3)C(=O)[O-])C=C21	REAL300008053939	0	43	-1.0	-57.13	374.66	3.63	-53.50
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008053940	0	33	-1.0	-40.91	333.96	2.35	-38.56
COC1=CC=CC(OC)=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053941	0	39	-1.0	-63.24	352.90	3.62	-59.62
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053942	0	39	-1.0	-48.16	351.78	4.88	-43.28
CC1=CC=C(C)C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1[N+](=O)[O-]	REAL300008053943	0	39	-1.0	-57.73	350.93	5.88	-51.85
CC1=CC(C)=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008053944	0	39	-1.0	-42.96	358.03	5.02	-37.94
COC1=CC=C(CCS(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300008053945	0	41	-1.0	-54.40	375.06	3.87	-50.53
COC1=CN=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053946	0	34	-1.0	-52.66	325.06	0.53	-52.13
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300008053947	0	40	-1.0	-44.33	372.23	4.75	-39.58
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008053948	0	38	-1.0	-54.37	349.71	5.18	-49.19
COC1=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CC(OC)=C1	REAL300008053949	0	39	-1.0	-56.81	359.71	1.66	-55.15
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCC1CCCCC1	REAL300008053950	0	43	-1.0	-53.35	366.36	4.74	-48.61
CC1=CC2=C(C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-])OCO2	REAL300008053951	0	37	-1.0	-42.92	338.85	2.61	-40.31
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008053952	0	34	-1.0	-48.41	316.43	3.27	-45.14
COC1=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CC=C1Cl	REAL300008053953	0	35	-1.0	-50.02	346.20	2.91	-47.11
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CCC1CCCC1	REAL300008053954	0	40	-1.0	-53.28	350.78	4.19	-49.09
CC1=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008053955	0	39	-1.0	-68.18	352.30	5.01	-63.17
CCC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1CC	REAL300008053956	0	43	-1.0	-55.86	377.74	5.62	-50.24
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053957	0	39	-1.0	-48.00	353.92	5.27	-42.73
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053958	0	41	-1.0	-57.60	358.36	4.56	-53.04
CC1=C(C)SC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053959	0	34	-1.0	-45.56	334.46	3.52	-42.04
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053960	0	32	-1.0	-40.73	323.34	1.02	-39.71
CC1=NC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300008053961	0	30	-1.0	-42.86	307.76	0.96	-41.90
CCC1=NC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300008053962	0	33	-1.0	-42.60	329.25	1.71	-40.89
CC1=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(N)=NO1	REAL300008053963	0	32	-1.0	-46.35	305.39	0.38	-45.97
CN(C)C1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300008053964	0	38	-1.0	-48.47	351.40	2.97	-45.50
CC1=CC(C)=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300008053965	0	34	-1.0	-55.25	320.71	3.21	-52.04
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008053966	0	37	-1.0	-50.39	345.02	4.98	-45.41
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008053967	0	34	-1.0	-49.01	326.88	1.75	-47.26
CC1=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CC(C)=C1F	REAL300008053968	0	37	-1.0	-42.82	348.53	4.46	-38.36
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008053969	0	38	-1.0	-63.80	356.67	2.79	-61.01
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008053970	0	33	-1.0	-48.51	318.39	2.94	-45.57
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300008053971	0	33	-1.0	-44.85	315.84	1.94	-42.91
COC(CS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-])C1CC1	REAL300008053972	0	38	-1.0	-54.01	343.76	2.41	-51.60
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008053973	0	34	-1.0	-53.52	340.81	4.30	-49.22
CC1=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CC=C1Cl	REAL300008053974	0	34	-1.0	-51.14	335.93	4.17	-46.97
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008053975	0	37	-1.0	-56.90	348.77	4.03	-52.87
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008053976	0	39	-1.0	-49.53	352.57	4.32	-45.21
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008053977	0	40	-1.0	-51.74	348.62	3.42	-48.32
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008053978	0	34	-1.0	-54.29	344.20	4.28	-50.01
CCC1(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300008053979	0	34	-1.0	-41.08	303.71	2.80	-38.28
CCC(C)OC1=CC=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300008053980	0	44	-1.0	-53.35	389.61	4.67	-48.68
COC(CS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-])C1CCCC1	REAL300008053981	0	44	-1.0	-53.21	377.47	3.38	-49.83
COC(CS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-])C1CCCCC1	REAL300008053982	0	47	-1.0	-54.15	392.25	4.07	-50.08
CCOC(CS(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-])C1CC1	REAL300008053983	0	41	-1.0	-56.24	364.42	3.37	-52.87
CCC1=NC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=CN1CC1CC1	REAL300008053984	0	44	-1.0	-51.79	395.62	4.92	-46.87
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008053985	0	34	-1.0	-43.76	338.99	2.62	-41.14
CC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008053986	0	39	-1.0	-44.72	359.73	5.45	-39.27
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053987	0	38	-1.0	-43.85	343.79	2.89	-40.96
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053988	0	34	-1.0	-45.95	326.11	1.02	-44.93
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008053989	0	41	-1.0	-51.21	367.11	6.57	-44.64
CCC1=CC(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=C(C)C=C1OC	REAL300008053990	0	44	-1.0	-44.32	384.06	4.73	-39.59
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300008053991	1	33	-1.0	-52.60	328.60	2.14	-50.46
CC1=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008053992	0	40	-1.0	-60.95	350.49	6.14	-54.81
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300008053993	0	40	-1.0	-49.85	369.92	1.61	-48.24
COC1=C(F)C=CC=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053994	0	35	-1.0	-48.73	320.23	3.66	-45.07
CCOC1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1C(C)C	REAL300008053995	0	47	-1.0	-52.74	403.25	5.09	-47.65
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1F	REAL300008053996	0	43	-1.0	-55.52	378.66	5.33	-50.19
CN1N=C2CCCCC2=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008053997	0	41	-1.0	-46.85	358.79	3.12	-43.73
CN1C=C(S(=O)(=O)NC(CC2=NC=CS2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300008053998	0	43	-1.0	-42.63	369.60	3.37	-39.26
O=C([O-])C(CC1=NC=CS1)NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008053999	0	41	-1.0	-54.77	360.55	3.07	-51.70
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300008054000	0	34	-1.0	-42.00	331.14	1.94	-40.06
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066194	0	36	-1.0	-52.61	298.56	4.74	-47.87
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066195	0	43	-1.0	-69.18	357.07	5.74	-63.44
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300008066196	0	43	-1.0	-62.54	358.78	2.46	-60.08
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008066197	0	50	-1.0	-59.78	354.13	7.00	-52.78
CC1=NC2=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=CC=C2C=C1	REAL300008066198	0	40	-1.0	-70.30	329.22	7.20	-63.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008066199	0	40	-1.0	-68.13	337.05	7.49	-60.64
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008066200	0	43	-1.0	-59.77	346.39	3.95	-55.82
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066201	0	46	-1.0	-66.61	389.72	6.81	-59.80
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066202	0	46	-1.0	-66.13	383.52	6.91	-59.22
CCCN1C=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066203	0	38	-1.0	-68.38	318.91	6.45	-61.93
COCCOCCOCCS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066204	0	46	-1.0	-63.78	380.75	2.89	-60.89
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066205	0	48	-1.0	-65.87	373.53	6.91	-58.96
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066206	0	39	-1.0	-57.32	335.70	5.67	-51.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008066207	0	40	-1.0	-60.21	328.09	3.18	-57.03
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066208	0	36	-1.0	-58.16	318.16	5.29	-52.87
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008066209	0	36	-1.0	-51.01	308.29	5.01	-46.00
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008066210	0	38	-1.0	-55.04	322.93	6.12	-48.92
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066211	0	38	-1.0	-45.43	314.37	6.25	-39.18
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066212	0	38	-1.0	-59.24	326.45	7.33	-51.91
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300008066213	0	38	-1.0	-55.70	321.86	6.88	-48.82
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066214	0	41	-1.0	-66.93	326.00	7.55	-59.38
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCN1CCOCC1	REAL300008066215	0	44	-1.0	-63.65	343.77	2.51	-61.14
CCOC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066216	0	39	-1.0	-60.32	318.88	5.60	-54.72
COCCN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300008066217	0	39	-1.0	-43.42	322.75	2.23	-41.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008066218	0	39	-1.0	-62.28	331.81	5.91	-56.37
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300008066219	0	59	-1.0	-57.45	450.94	9.75	-47.70
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008066220	0	40	-1.0	-63.25	343.57	7.71	-55.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008066221	0	37	-1.0	-58.40	308.63	5.73	-52.67
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008066222	0	35	-1.0	-64.11	315.26	6.87	-57.24
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300008066223	0	35	-1.0	-61.88	310.69	6.82	-55.06
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008066224	0	39	-1.0	-71.72	332.17	3.25	-68.47
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066225	0	35	-1.0	-57.01	310.19	6.65	-50.36
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066226	0	35	-1.0	-63.05	305.36	6.84	-56.21
COCC1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066227	0	39	-1.0	-63.56	318.71	5.58	-57.98
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1Br	REAL300008066228	0	36	-1.0	-56.01	317.37	5.33	-50.68
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300008066229	0	40	-1.0	-53.02	337.54	4.50	-48.52
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008066230	0	35	-1.0	-63.92	313.15	4.47	-59.45
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008066231	0	35	-1.0	-42.24	300.93	3.51	-38.73
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C2O1	REAL300008066232	0	43	-1.0	-59.17	344.87	6.61	-52.56
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008066233	0	35	-1.0	-45.19	306.40	3.90	-41.29
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066234	0	43	-1.0	-75.50	344.51	3.84	-71.66
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066235	0	44	-1.0	-62.70	371.11	4.58	-58.12
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066236	0	36	-1.0	-51.75	295.69	5.51	-46.24
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008066237	0	40	-1.0	-61.43	346.36	2.14	-59.29
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066238	0	46	-1.0	-60.58	386.58	3.15	-57.43
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066239	0	43	-1.0	-71.55	345.50	5.27	-66.28
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300008066240	0	43	-1.0	-60.26	367.82	3.03	-57.23
CCC1=CC=C(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066241	0	41	-1.0	-63.75	336.86	7.69	-56.06
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CS1	REAL300008066242	0	35	-1.0	-62.66	307.64	6.17	-56.49
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008066243	0	47	-1.0	-58.12	381.20	5.80	-52.32
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008066244	0	44	-1.0	-50.11	348.71	4.20	-45.91
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066245	0	41	-1.0	-70.65	349.63	3.78	-66.87
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066246	0	42	-1.0	-65.03	352.97	2.19	-62.84
CC1=CC=C(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300008066247	0	41	-1.0	-64.56	332.98	7.49	-57.07
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Br	REAL300008066248	0	39	-1.0	-56.76	339.22	6.26	-50.50
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300008066249	0	46	-1.0	-60.48	375.61	8.43	-52.05
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008066250	0	36	-1.0	-50.06	318.61	5.45	-44.61
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066251	0	39	-1.0	-63.12	339.46	6.09	-57.03
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCOC(C)(C)C1	REAL300008066252	0	41	-1.0	-58.33	305.38	3.24	-55.09
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2S1	REAL300008066253	0	46	-1.0	-58.15	380.49	7.31	-50.84
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066254	0	39	-1.0	-52.34	331.71	5.84	-46.50
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300008066255	0	44	-1.0	-60.44	358.17	6.90	-53.54
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066256	0	39	-1.0	-65.62	333.98	0.27	-65.35
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008066257	0	38	-1.0	-49.77	320.61	6.68	-43.09
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008066258	0	35	-1.0	-58.17	324.69	7.39	-50.78
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008066259	0	38	-1.0	-62.51	328.91	8.01	-54.50
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008066260	0	35	-1.0	-46.65	315.49	6.47	-40.18
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008066261	0	38	-1.0	-73.78	329.20	8.42	-65.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008066262	0	38	-1.0	-63.02	331.93	7.24	-55.78
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008066263	0	43	-1.0	-64.32	353.62	6.95	-57.37
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008066264	0	46	-1.0	-64.53	382.15	9.08	-55.45
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066265	0	45	-1.0	-63.69	373.99	6.90	-56.79
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008066266	0	43	-1.0	-65.90	370.12	2.59	-63.31
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008066267	0	41	-1.0	-61.54	332.38	8.13	-53.41
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1N(C)C	REAL300008066268	0	43	-1.0	-61.21	342.06	6.02	-55.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008066269	0	38	-1.0	-62.69	334.72	7.56	-55.13
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008066270	0	37	-1.0	-55.17	304.88	1.72	-53.45
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCOCC1CCCC1	REAL300008066271	0	45	-1.0	-60.12	357.69	6.07	-54.05
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300008066272	0	39	-1.0	-60.07	333.20	6.16	-53.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008066273	0	41	-1.0	-77.75	354.54	3.77	-73.98
CSC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300008066274	0	36	-1.0	-56.57	322.65	6.83	-49.74
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066275	0	44	-1.0	-57.18	336.87	5.48	-51.70
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008066276	0	40	-1.0	-53.49	338.79	3.95	-49.54
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C12	REAL300008066277	0	39	-1.0	-56.97	328.81	3.04	-53.93
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008066278	0	43	-1.0	-53.89	364.09	5.20	-48.69
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CN=C21	REAL300008066279	0	37	-1.0	-59.60	314.69	4.55	-55.05
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008066280	0	38	-1.0	-58.20	334.49	8.25	-49.95
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(CC)=C1	REAL300008066281	0	50	-1.0	-59.31	357.06	9.63	-49.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008066282	0	39	-1.0	-66.00	314.31	5.99	-60.01
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008066283	0	38	-1.0	-56.25	339.05	3.52	-52.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008066284	0	41	-1.0	-72.92	330.39	8.85	-64.07
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1F	REAL300008066285	0	39	-1.0	-63.93	321.83	5.64	-58.29
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C)CCCCC1	REAL300008066286	0	44	-1.0	-62.73	319.96	6.99	-55.74
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008066287	0	41	-1.0	-61.11	330.90	6.89	-54.22
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008066289	0	40	-1.0	-48.60	331.83	5.85	-42.75
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066290	0	39	-1.0	-60.68	342.42	5.66	-55.02
CC1=CC=C(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(F)=C1	REAL300008066291	0	38	-1.0	-67.27	320.59	6.97	-60.30
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008066293	0	32	-1.0	-56.45	301.87	5.67	-50.78
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008066294	0	45	-1.0	-66.22	357.39	8.79	-57.43
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=NO1	REAL300008066295	0	43	-1.0	-67.55	352.01	6.28	-61.27
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008066296	0	41	-1.0	-79.11	331.47	2.71	-76.40
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008066297	0	35	-1.0	-46.58	299.09	5.22	-41.36
CC1=C(CCS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])SC=N1	REAL300008066298	0	37	-1.0	-62.62	321.64	4.83	-57.79
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300008066299	0	42	-1.0	-66.04	321.02	6.92	-59.12
COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])CCC2=C1	REAL300008066300	0	44	-1.0	-61.58	357.10	7.21	-54.37
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300008066301	0	45	-1.0	-63.96	327.51	7.51	-56.45
CC(C)(CCS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])S(C)(=O)=O	REAL300008066302	0	43	-1.0	-71.04	345.41	2.70	-68.34
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300008066303	0	41	-1.0	-59.84	322.44	6.73	-53.11
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008066304	0	39	-1.0	-61.85	320.95	7.63	-54.22
CCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008066305	0	40	-1.0	-64.61	329.87	7.21	-57.40
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008066306	0	32	-1.0	-56.60	284.19	5.88	-50.72
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008066307	0	32	-1.0	-56.41	288.76	5.99	-50.42
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008066308	0	34	-1.0	-55.46	299.16	6.13	-49.33
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008066309	0	38	-1.0	-61.48	313.25	7.65	-53.83
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008066310	0	34	-1.0	-64.38	295.74	6.05	-58.33
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066311	0	37	-1.0	-58.29	315.61	6.98	-51.31
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008066312	0	34	-1.0	-56.76	283.55	6.37	-50.39
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066313	0	39	-1.0	-64.10	338.43	7.05	-57.05
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066314	0	39	-1.0	-59.71	322.26	5.68	-54.03
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300008066315	0	44	-1.0	-61.36	316.64	7.70	-53.66
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1	REAL300008066316	0	41	-1.0	-60.81	303.66	7.27	-53.54
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066317	0	47	-1.0	-63.53	353.00	8.28	-55.25
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008066318	0	35	-1.0	-57.03	306.26	6.38	-50.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008066319	0	35	-1.0	-50.41	291.63	6.06	-44.35
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008066320	0	32	-1.0	-57.34	284.27	5.90	-51.44
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066321	0	37	-1.0	-60.45	312.12	5.86	-54.59
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008066322	0	38	-1.0	-57.61	322.97	6.11	-51.50
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066323	0	44	-1.0	-59.80	343.83	7.71	-52.09
CC(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066324	0	41	-1.0	-59.95	327.85	7.32	-52.63
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066325	0	43	-1.0	-60.77	363.19	3.39	-57.38
CCCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066326	0	41	-1.0	-60.02	332.01	7.61	-52.41
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Br	REAL300008066327	0	36	-1.0	-57.17	317.35	5.33	-51.84
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1Br	REAL300008066328	0	35	-1.0	-56.55	306.94	6.56	-49.99
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)=C1	REAL300008066329	0	46	-1.0	-59.34	379.41	8.98	-50.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008066330	0	36	-1.0	-57.48	316.91	5.25	-52.23
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1C	REAL300008066331	0	47	-1.0	-62.01	338.38	7.84	-54.17
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008066332	0	41	-1.0	-62.17	330.19	5.31	-56.86
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066333	0	48	-1.0	-54.17	368.41	6.98	-47.19
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008066334	0	37	-1.0	-63.82	314.37	6.66	-57.16
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066335	0	36	-1.0	-51.24	313.48	5.29	-45.95
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066336	0	50	-1.0	-60.10	358.44	8.93	-51.17
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008066337	0	35	-1.0	-56.69	309.67	6.46	-50.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008066338	0	42	-1.0	-60.52	330.21	7.85	-52.67
COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066339	0	40	-1.0	-56.14	321.54	3.95	-52.19
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1OC	REAL300008066340	0	40	-1.0	-59.45	326.18	4.57	-54.88
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008066341	0	39	-1.0	-61.45	312.96	7.28	-54.17
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008066342	0	40	-1.0	-60.96	325.04	7.87	-53.09
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008066343	0	37	-1.0	-60.72	306.26	5.28	-55.44
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066344	0	47	-1.0	-59.96	371.08	8.90	-51.06
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1OCC	REAL300008066345	0	46	-1.0	-60.42	369.83	6.42	-54.00
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008066346	0	37	-1.0	-62.38	321.86	0.35	-62.03
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300008066347	0	40	-1.0	-56.66	328.51	7.09	-49.57
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300008066348	0	40	-1.0	-54.81	319.43	6.49	-48.32
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=C2N=C1	REAL300008066349	0	40	-1.0	-56.27	325.16	6.39	-49.88
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008066350	0	38	-1.0	-78.34	320.79	6.31	-72.03
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066351	0	36	-1.0	-46.62	308.25	5.15	-41.47
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008066352	0	37	-1.0	-68.88	321.71	0.32	-68.56
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008066353	0	44	-1.0	-62.14	376.44	3.21	-58.93
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066354	0	40	-1.0	-64.21	336.31	6.92	-57.29
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008066355	0	41	-1.0	-58.22	319.65	6.47	-51.75
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CN=C12	REAL300008066356	0	40	-1.0	-67.97	327.39	6.86	-61.11
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300008066357	0	40	-1.0	-80.12	329.67	8.20	-71.92
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066358	0	43	-1.0	-67.91	363.07	3.36	-64.55
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008066359	0	44	-1.0	-72.03	355.19	4.80	-67.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008066360	0	38	-1.0	-71.19	328.17	2.88	-68.31
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008066361	0	42	-1.0	-68.22	342.98	9.33	-58.89
CC1CC(C)CN(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300008066362	0	43	-1.0	-60.31	326.85	5.70	-54.61
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008066363	0	38	-1.0	-71.84	312.48	7.91	-63.93
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008066364	0	42	-1.0	-60.55	341.67	8.78	-51.77
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066365	0	35	-1.0	-60.02	294.17	6.37	-53.65
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=CC=C12	REAL300008066366	0	46	-1.0	-52.19	354.54	6.62	-45.57
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008066367	0	33	-1.0	-49.01	290.77	3.18	-45.83
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066368	0	36	-1.0	-51.38	308.89	5.19	-46.19
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066369	0	47	-1.0	-59.75	358.05	8.18	-51.57
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300008066370	0	35	-1.0	-57.45	302.96	6.48	-50.97
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066371	0	42	-1.0	-60.32	340.50	6.32	-54.00
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008066372	0	35	-1.0	-64.15	310.70	6.76	-57.39
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300008066373	0	33	-1.0	-45.82	283.36	3.58	-42.24
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008066374	0	37	-1.0	-73.23	330.40	8.02	-65.21
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008066375	0	37	-1.0	-56.74	303.67	5.76	-50.98
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008066376	0	43	-1.0	-59.85	373.87	8.84	-51.01
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066377	0	38	-1.0	-44.33	319.73	5.30	-39.03
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300008066378	0	36	-1.0	-57.11	303.16	4.73	-52.38
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300008066379	0	35	-1.0	-57.23	294.22	6.07	-51.16
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008066380	0	43	-1.0	-57.30	372.91	8.73	-48.57
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)C=C1	REAL300008066381	0	47	-1.0	-58.41	385.68	7.50	-50.91
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C(C)C)=C1	REAL300008066382	0	59	-1.0	-57.42	418.33	10.78	-46.64
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300008066383	0	48	-1.0	-68.96	380.80	8.84	-60.12
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008066384	0	35	-1.0	-63.01	325.80	7.22	-55.79
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300008066385	0	42	-1.0	-53.57	329.46	6.12	-47.45
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066386	0	37	-1.0	-44.47	303.44	5.89	-38.58
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066387	0	37	-1.0	-65.63	309.73	6.82	-58.81
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066388	0	40	-1.0	-58.25	332.19	7.81	-50.44
CC(C)CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066389	0	44	-1.0	-60.17	348.77	8.08	-52.09
COCCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066390	0	42	-1.0	-60.00	344.19	5.90	-54.10
COCCN(CCOC)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066391	0	44	-1.0	-64.99	341.26	2.39	-62.60
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066392	0	35	-1.0	-60.03	304.48	6.82	-53.21
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300008066393	0	42	-1.0	-59.48	341.61	6.23	-53.25
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066394	0	48	-1.0	-58.35	379.35	7.69	-50.66
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008066395	0	46	-1.0	-59.09	361.49	7.56	-51.53
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066396	0	45	-1.0	-59.36	363.86	7.18	-52.18
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066397	0	42	-1.0	-59.43	343.76	6.48	-52.95
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300008066398	0	36	-1.0	-57.12	312.97	5.22	-51.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008066399	0	36	-1.0	-58.87	322.74	5.48	-53.39
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300008066400	0	39	-1.0	-59.38	317.05	5.41	-53.97
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1OC(C)C	REAL300008066401	0	45	-1.0	-59.63	356.77	6.96	-52.67
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1	REAL300008066402	0	39	-1.0	-49.15	304.68	4.52	-44.63
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066403	0	43	-1.0	-61.79	355.89	4.95	-56.84
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300008066404	0	35	-1.0	-63.63	299.20	6.29	-57.34
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066405	0	35	-1.0	-46.12	296.51	5.84	-40.28
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300008066406	0	40	-1.0	-69.88	302.08	7.50	-62.38
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066407	0	41	-1.0	-67.74	348.09	3.83	-63.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008066408	0	44	-1.0	-61.51	379.95	3.30	-58.21
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066409	0	40	-1.0	-61.28	344.23	1.56	-59.72
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066410	0	40	-1.0	-67.79	334.31	3.53	-64.26
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300008066411	0	34	-1.0	-60.49	295.75	3.89	-56.60
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008066412	0	35	-1.0	-50.14	298.81	5.98	-44.16
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1F	REAL300008066413	0	36	-1.0	-56.00	303.17	4.74	-51.26
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008066414	0	42	-1.0	-64.26	341.72	8.80	-55.46
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008066415	0	35	-1.0	-61.27	327.43	7.26	-54.01
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])S2)=CS1	REAL300008066416	0	38	-1.0	-59.76	348.69	6.03	-53.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008066417	0	52	-1.0	-58.22	402.01	8.98	-49.24
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066418	0	40	-1.0	-57.43	325.06	6.41	-51.02
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN1C	REAL300008066419	0	40	-1.0	-61.45	333.21	3.12	-58.33
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1	REAL300008066420	0	42	-1.0	-59.47	311.70	5.90	-53.57
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008066421	0	43	-1.0	-60.69	351.64	9.49	-51.20
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300008066422	0	42	-1.0	-63.24	336.93	6.35	-56.89
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008066423	0	40	-1.0	-61.10	310.78	6.19	-54.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008066424	0	37	-1.0	-51.17	296.29	4.98	-46.19
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])=C2	REAL300008066425	0	45	-1.0	-62.53	367.23	9.21	-53.32
CCN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008066426	0	37	-1.0	-45.95	308.79	5.13	-40.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008066427	0	39	-1.0	-59.64	338.37	6.05	-53.59
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008066428	0	46	-1.0	-59.68	378.86	8.68	-51.00
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066429	0	40	-1.0	-65.86	330.60	6.64	-59.22
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008066430	0	42	-1.0	-62.29	355.14	6.97	-55.32
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008066431	0	35	-1.0	-78.89	298.56	4.67	-74.22
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066432	0	54	-1.0	-61.61	404.01	8.11	-53.50
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300008066433	0	40	-1.0	-67.99	344.62	1.99	-66.00
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300008066434	0	35	-1.0	-64.93	300.38	6.32	-58.61
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300008066435	0	45	-1.0	-69.20	362.41	8.17	-61.03
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066436	0	42	-1.0	-65.92	338.45	7.08	-58.84
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008066437	0	37	-1.0	-75.12	315.83	5.53	-69.59
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008066438	0	39	-1.0	-47.92	323.55	5.72	-42.20
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066439	0	46	-1.0	-60.89	374.27	5.82	-55.07
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066440	0	48	-1.0	-59.17	386.76	8.04	-51.13
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008066441	0	42	-1.0	-50.24	314.85	7.02	-43.22
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008066442	0	38	-1.0	-63.51	320.56	7.36	-56.15
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008066443	0	36	-1.0	-58.31	327.29	6.91	-51.40
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300008066444	0	37	-1.0	-59.77	303.50	4.67	-55.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008066445	0	40	-1.0	-70.56	336.13	6.85	-63.71
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008066446	0	38	-1.0	-73.64	307.06	1.75	-71.89
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008066447	0	37	-1.0	-60.67	315.72	5.54	-55.13
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1	REAL300008066448	0	42	-1.0	-49.17	326.62	5.46	-43.71
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066449	0	40	-1.0	-68.84	344.08	1.53	-67.31
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008066450	0	36	-1.0	-51.47	301.94	4.92	-46.55
CSC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066451	0	36	-1.0	-59.49	311.11	6.47	-53.02
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008066452	0	38	-1.0	-66.50	334.73	7.29	-59.21
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066453	0	43	-1.0	-63.34	343.21	7.04	-56.30
CCN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])N=C1C	REAL300008066454	0	38	-1.0	-63.96	314.78	5.23	-58.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008066455	0	38	-1.0	-52.12	307.02	4.48	-47.64
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008066456	0	37	-1.0	-51.46	296.24	4.87	-46.59
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008066457	0	44	-1.0	-62.61	364.45	7.46	-55.15
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(F)(F)F	REAL300008066458	0	38	-1.0	-60.65	321.90	6.90	-53.75
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008066459	0	38	-1.0	-57.91	341.04	6.21	-51.70
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008066460	0	41	-1.0	-58.87	332.20	6.96	-51.91
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C12	REAL300008066461	0	40	-1.0	-56.16	333.83	5.09	-51.07
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066462	0	39	-1.0	-65.82	341.02	6.17	-59.65
COCC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066463	0	39	-1.0	-63.33	322.60	5.10	-58.23
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=C2O1	REAL300008066464	0	43	-1.0	-53.85	343.28	6.12	-47.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300008066465	0	35	-1.0	-62.24	307.46	6.70	-55.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300008066466	0	44	-1.0	-76.19	367.52	3.95	-72.24
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008066467	0	39	-1.0	-61.89	339.98	6.04	-55.85
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008066468	0	40	-1.0	-74.56	334.94	6.09	-68.47
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008066469	0	35	-1.0	-62.22	320.77	7.16	-55.06
CC1CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C2O1	REAL300008066470	0	40	-1.0	-59.93	327.41	6.05	-53.88
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066471	0	44	-1.0	-58.19	316.45	8.39	-49.80
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066472	0	44	-1.0	-69.19	360.68	4.38	-64.81
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008066473	0	43	-1.0	-59.59	374.74	8.83	-50.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008066474	0	38	-1.0	-61.37	330.51	6.55	-54.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008066475	0	38	-1.0	-57.54	351.36	6.66	-50.88
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)=CO1	REAL300008066476	0	41	-1.0	-61.88	343.99	4.45	-57.43
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300008066477	0	35	-1.0	-44.74	295.55	3.28	-41.46
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008066478	0	35	-1.0	-50.01	292.67	5.15	-44.86
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008066479	0	35	-1.0	-57.57	293.56	4.04	-53.53
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300008066480	0	35	-1.0	-43.35	289.62	1.39	-41.96
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008066481	0	40	-1.0	-59.74	321.11	6.00	-53.74
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300008066482	0	39	-1.0	-64.53	308.14	7.11	-57.42
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=N2)C=C1	REAL300008066483	0	42	-1.0	-57.81	351.15	7.21	-50.60
CC1CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300008066484	0	40	-1.0	-56.69	341.23	6.51	-50.18
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008066485	0	37	-1.0	-54.27	314.37	6.67	-47.60
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300008066486	0	43	-1.0	-61.11	356.80	6.18	-54.93
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008066487	0	34	-1.0	-58.47	302.47	4.93	-53.54
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066488	0	40	-1.0	-62.94	323.42	5.87	-57.07
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2C=C1	REAL300008066489	0	41	-1.0	-61.09	334.67	8.30	-52.79
COC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])SC=C1	REAL300008066490	0	33	-1.0	-68.72	289.87	3.77	-64.95
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066491	0	40	-1.0	-62.07	319.02	5.78	-56.29
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008066492	0	37	-1.0	-53.07	302.08	4.70	-48.37
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008066493	0	37	-1.0	-64.78	317.25	5.60	-59.18
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008066494	0	37	-1.0	-61.38	306.33	5.28	-56.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008066495	0	38	-1.0	-60.84	332.08	7.56	-53.28
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C21	REAL300008066496	0	44	-1.0	-62.65	342.01	5.94	-56.71
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008066497	0	34	-1.0	-53.95	305.95	4.76	-49.19
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066498	0	40	-1.0	-69.38	320.97	5.86	-63.52
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066499	0	40	-1.0	-43.61	319.76	6.42	-37.19
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300008066500	0	40	-1.0	-61.30	318.52	8.06	-53.24
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008066501	0	40	-1.0	-58.48	331.98	7.49	-50.99
COC1=CC=C(CCS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066502	0	42	-1.0	-62.41	344.86	6.34	-56.07
COC1=CN=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066503	0	35	-1.0	-57.91	292.15	2.81	-55.10
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300008066504	0	41	-1.0	-60.40	342.29	7.11	-53.29
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008066505	0	39	-1.0	-59.98	316.60	7.47	-52.51
COC1=CC(OC)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066506	0	40	-1.0	-62.70	329.90	4.05	-58.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CCCCC1	REAL300008066507	0	44	-1.0	-63.56	338.31	7.25	-56.31
CC1=CC=C(CCS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066508	0	41	-1.0	-61.77	336.74	7.71	-54.06
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])OCO2	REAL300008066509	0	38	-1.0	-59.96	313.44	4.97	-54.99
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008066510	0	35	-1.0	-51.53	293.91	5.16	-46.37
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1Cl	REAL300008066511	0	36	-1.0	-56.13	312.99	5.22	-50.91
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300008066512	0	38	-1.0	-69.02	315.65	6.71	-62.31
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008066513	0	40	-1.0	-72.26	315.88	7.50	-64.76
CC1=NC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2O1	REAL300008066514	0	37	-1.0	-58.67	311.06	3.03	-55.64
CCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1CC	REAL300008066515	0	44	-1.0	-61.12	344.47	7.93	-53.19
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066516	0	40	-1.0	-54.64	310.52	7.27	-47.37
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066517	0	42	-1.0	-65.50	326.62	6.91	-58.59
CC1=C(C)SC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066518	0	35	-1.0	-60.65	301.64	5.83	-54.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300008066519	0	33	-1.0	-55.90	287.81	3.52	-52.38
CCC1=NC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300008066520	0	34	-1.0	-47.52	292.95	3.21	-44.31
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300008066521	0	39	-1.0	-61.78	319.15	5.24	-56.54
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300008066522	0	35	-1.0	-61.77	300.32	5.92	-55.85
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008066523	0	38	-1.0	-75.30	323.12	6.87	-68.43
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008066524	0	35	-1.0	-50.00	292.54	3.51	-46.49
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC(C)=C1F	REAL300008066525	0	38	-1.0	-57.40	317.64	6.78	-50.62
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008066526	0	39	-1.0	-62.12	323.48	5.13	-56.99
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008066527	0	45	-1.0	-65.76	370.90	7.09	-58.67
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300008066528	0	36	-1.0	-51.81	299.36	4.59	-47.22
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008066529	0	34	-1.0	-52.94	296.69	4.38	-48.56
CC1=NC(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CS1	REAL300008066530	0	34	-1.0	-64.18	300.45	3.94	-60.24
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008066531	0	35	-1.0	-62.09	310.71	6.77	-55.32
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1Cl	REAL300008066532	0	35	-1.0	-56.67	302.90	6.47	-50.20
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008066533	0	38	-1.0	-70.95	315.57	6.35	-64.60
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)=N1	REAL300008066534	0	41	-1.0	-60.27	353.66	6.84	-53.43
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008066535	0	40	-1.0	-65.64	319.88	6.90	-58.74
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008066536	0	39	-1.0	-67.97	335.48	3.30	-64.67
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008066537	0	41	-1.0	-51.35	325.52	5.17	-46.18
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008066538	0	35	-1.0	-61.33	313.74	6.78	-54.55
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066539	0	57	-1.0	-59.23	451.25	10.39	-48.84
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066540	0	45	-1.0	-60.23	357.56	7.04	-53.19
COC(CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])C1CCCC1	REAL300008066541	0	45	-1.0	-62.90	344.08	5.65	-57.25
COC(CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])C1CCCCC1	REAL300008066542	0	48	-1.0	-46.51	357.94	6.21	-40.30
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008066543	0	46	-1.0	-61.93	384.94	8.72	-53.21
CCOC(CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])C1CC1	REAL300008066544	0	42	-1.0	-64.39	335.95	6.21	-58.18
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(C)C	REAL300008066545	0	51	-1.0	-59.77	398.85	8.42	-51.35
CCC1=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN1CC1CC1	REAL300008066546	0	45	-1.0	-65.22	368.32	7.95	-57.27
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008066547	0	35	-1.0	-57.47	309.20	4.99	-52.48
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008066548	0	40	-1.0	-64.88	335.84	7.87	-57.01
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066549	0	39	-1.0	-56.50	308.56	5.02	-51.48
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008066550	0	45	-1.0	-56.37	368.00	7.71	-48.66
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066551	0	35	-1.0	-52.34	308.63	4.01	-48.33
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008066552	0	43	-1.0	-59.56	368.12	9.48	-50.08
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008066553	0	42	-1.0	-54.62	325.69	7.90	-46.72
CCC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(C)C=C1OC	REAL300008066554	0	45	-1.0	-63.11	358.50	7.09	-56.02
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008066555	0	38	-1.0	-56.48	342.14	7.33	-49.15
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300008066556	0	34	-1.0	-67.72	295.64	4.28	-63.44
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008066557	0	41	-1.0	-63.54	313.54	8.00	-55.54
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300008066558	0	41	-1.0	-43.97	331.61	3.25	-40.72
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066559	0	36	-1.0	-57.86	302.00	5.74	-52.12
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(C)C	REAL300008066560	0	48	-1.0	-58.93	377.41	7.61	-51.32
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300008066561	0	44	-1.0	-56.47	345.72	7.62	-48.85
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008066562	0	51	-1.0	-63.44	395.84	10.06	-53.38
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066563	0	42	-1.0	-56.79	323.14	5.19	-51.60
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C(C)(C)C)=N1	REAL300008066564	0	44	-1.0	-65.18	340.13	5.77	-59.41
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008066565	0	42	-1.0	-59.51	336.73	5.77	-53.74
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066566	0	35	-1.0	-56.93	292.18	3.89	-53.04
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066567	0	39	-1.0	-66.04	330.70	5.72	-60.32
C=CCCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066568	0	42	-1.0	-60.00	344.83	8.17	-51.83
CCC1=NN(C)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066569	0	38	-1.0	-65.57	316.64	4.67	-60.90
CCCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(C)C	REAL300008066570	0	54	-1.0	-58.47	420.41	9.19	-49.28
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008066571	0	36	-1.0	-60.67	321.30	7.28	-53.39
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(C)(C)C	REAL300008066572	0	54	-1.0	-60.19	411.50	9.08	-51.11
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1CC	REAL300008066573	0	48	-1.0	-58.51	382.01	7.88	-50.63
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066574	0	38	-1.0	-56.79	298.96	7.12	-49.67
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066575	0	38	-1.0	-61.22	327.75	7.45	-53.77
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008066576	0	36	-1.0	-60.78	318.88	7.19	-53.59
CCCC1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066577	0	41	-1.0	-64.47	325.33	7.91	-56.56
COC1=NC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066578	0	35	-1.0	-49.69	289.84	2.02	-47.67
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066579	0	48	-1.0	-57.71	380.54	8.06	-49.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008066580	0	37	-1.0	-50.66	296.40	4.90	-45.76
CC1=CSC(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066581	0	35	-1.0	-44.32	283.03	5.33	-38.99
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008066582	0	39	-1.0	-60.18	319.10	5.09	-55.09
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300008066583	0	39	-1.0	-49.97	314.72	4.61	-45.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008066584	0	42	-1.0	-54.74	332.52	5.89	-48.85
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300008066585	0	43	-1.0	-54.59	342.84	2.82	-51.77
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008066586	0	38	-1.0	-50.36	329.76	5.54	-44.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300008066587	0	39	-1.0	-56.28	308.53	4.67	-51.61
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(C)C	REAL300008066588	0	57	-1.0	-58.40	441.90	9.97	-48.43
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300008066589	0	48	-1.0	-65.32	375.53	7.59	-57.73
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066590	0	42	-1.0	-64.47	342.50	7.11	-57.36
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(C)C	REAL300008066591	0	55	-1.0	-61.93	432.83	7.84	-54.09
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=C2O1	REAL300008066592	0	40	-1.0	-52.73	323.41	5.47	-47.26
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300008066593	0	40	-1.0	-48.52	331.60	4.29	-44.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008066594	0	38	-1.0	-63.07	317.56	5.80	-57.27
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066595	0	37	-1.0	-55.31	301.90	4.25	-51.06
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008066596	0	41	-1.0	-60.18	312.67	5.30	-54.88
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300008066597	0	36	-1.0	-46.68	321.10	5.28	-41.40
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008066598	0	33	-1.0	-52.39	282.11	4.16	-48.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008066599	0	35	-1.0	-61.61	307.89	6.88	-54.73
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066600	0	39	-1.0	-55.36	319.92	5.21	-50.15
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1F	REAL300008066601	0	41	-1.0	-58.96	315.13	6.97	-51.99
COC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1OC	REAL300008066602	0	40	-1.0	-50.88	321.16	4.68	-46.20
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=COC2=CC=CC=C12	REAL300008066603	0	35	-1.0	-50.56	296.51	5.12	-45.44
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2CCCC2)=N1	REAL300008066604	0	45	-1.0	-59.45	350.55	6.12	-53.33
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066605	0	44	-1.0	-53.36	342.11	5.28	-48.08
CCCCN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=N1	REAL300008066606	0	44	-1.0	-65.70	362.96	6.29	-59.41
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2CC2)=N1	REAL300008066607	0	39	-1.0	-58.81	322.01	5.19	-53.62
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008066608	0	36	-1.0	-62.21	310.16	5.04	-57.17
CN1N=NC2=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=CC=C21	REAL300008066609	0	37	-1.0	-54.08	310.98	3.27	-50.81
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Br	REAL300008066610	0	38	-1.0	-60.18	326.88	7.50	-52.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCCC(C)(C)C1	REAL300008066611	0	43	-1.0	-61.02	321.46	5.68	-55.34
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008066612	0	38	-1.0	-56.17	338.97	6.60	-49.57
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2CCC2)=N1	REAL300008066613	0	42	-1.0	-59.09	339.06	5.78	-53.31
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066614	0	50	-1.0	-65.61	386.21	9.49	-56.12
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008066615	0	38	-1.0	-60.57	338.61	7.25	-53.32
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008066616	0	42	-1.0	-43.79	337.05	5.26	-38.53
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008066617	0	36	-1.0	-62.39	303.69	6.58	-55.81
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008066618	0	43	-1.0	-64.38	366.29	8.52	-55.86
COC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008066619	0	41	-1.0	-77.55	332.11	7.09	-70.46
CCCC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066620	0	41	-1.0	-60.60	331.93	7.59	-53.01
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066621	0	39	-1.0	-58.15	310.29	4.77	-53.38
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066622	0	41	-1.0	-56.28	311.16	5.09	-51.19
CC(C)(C)N1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300008066623	0	41	-1.0	-57.89	333.67	5.13	-52.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300008066624	0	39	-1.0	-58.23	313.01	4.38	-53.85
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300008066625	0	37	-1.0	-52.68	318.47	5.20	-47.48
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008066626	0	35	-1.0	-54.56	312.90	6.46	-48.10
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066627	0	43	-1.0	-65.45	352.09	7.41	-58.04
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008066628	0	43	-1.0	-62.92	338.48	8.51	-54.41
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008066629	0	38	-1.0	-58.18	333.18	6.50	-51.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008066630	0	38	-1.0	-59.38	311.87	5.88	-53.50
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300008066631	0	39	-1.0	-65.51	325.54	3.95	-61.56
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066632	0	42	-1.0	-56.89	363.82	6.16	-50.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008066633	0	32	-1.0	-47.39	286.65	5.01	-42.38
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008066634	0	39	-1.0	-61.53	316.76	7.47	-54.06
COC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=CS1	REAL300008066635	0	33	-1.0	-50.30	287.87	3.32	-46.98
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008066636	0	42	-1.0	-55.83	333.55	6.04	-49.79
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066637	0	41	-1.0	-55.82	329.13	5.35	-50.47
CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066638	0	46	-1.0	-61.48	332.38	6.10	-55.38
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2CCOCC2)=N1	REAL300008066639	0	46	-1.0	-59.38	361.55	4.44	-54.94
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066640	0	38	-1.0	-61.28	320.60	6.88	-54.40
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008066641	0	36	-1.0	-59.50	306.78	4.96	-54.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008066642	0	47	-1.0	-59.79	360.49	7.90	-51.89
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300008066643	0	33	-1.0	-58.76	293.18	3.93	-54.83
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=NC=CC=C12	REAL300008066644	0	43	-1.0	-71.88	333.29	8.04	-63.84
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008066645	0	40	-1.0	-60.72	322.50	5.42	-55.30
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300008066646	0	35	-1.0	-60.05	301.92	4.12	-55.93
CCOCC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066647	0	42	-1.0	-61.95	344.41	6.06	-55.89
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066648	0	42	-1.0	-56.50	346.54	6.57	-49.93
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008066649	0	45	-1.0	-59.44	355.64	6.37	-53.07
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008066650	0	43	-1.0	-58.14	356.28	8.23	-49.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300008066651	0	35	-1.0	-68.25	292.44	6.47	-61.78
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC(C)=C1Br	REAL300008066652	0	38	-1.0	-57.80	328.32	7.19	-50.61
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300008066653	0	41	-1.0	-54.70	318.84	7.31	-47.39
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008066654	0	42	-1.0	-71.75	352.78	6.85	-64.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008066655	0	36	-1.0	-43.74	304.41	6.13	-37.61
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008066656	0	36	-1.0	-60.58	325.87	7.39	-53.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008066657	0	36	-1.0	-43.66	319.28	6.69	-36.97
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300008066658	0	37	-1.0	-71.48	316.45	-0.52	-72.00
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008066659	0	35	-1.0	-62.49	294.66	5.81	-56.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300008066660	0	38	-1.0	-67.22	298.65	5.74	-61.48
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008066661	0	34	-1.0	-63.01	298.35	4.77	-58.24
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCOC1CCOC1	REAL300008066662	0	40	-1.0	-60.18	324.95	2.72	-57.46
CC1=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008066663	0	41	-1.0	-66.33	345.70	5.02	-61.31
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008066664	0	49	-1.0	-66.49	349.52	8.41	-58.08
CC1(C)COC(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300008066665	0	42	-1.0	-69.25	333.59	4.72	-64.53
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300008066666	0	35	-1.0	-70.18	301.08	1.22	-68.96
CC(C)(CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])C(C)(F)F	REAL300008066667	0	40	-1.0	-60.67	311.54	6.00	-54.67
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCCS(C)(=O)=O	REAL300008066668	0	40	-1.0	-71.07	340.67	2.34	-68.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCC(C)(C)CO1	REAL300008066669	0	45	-1.0	-67.96	347.78	5.56	-62.40
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008066670	0	42	-1.0	-63.17	343.08	7.89	-55.28
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008066671	0	36	-1.0	-65.36	318.07	4.58	-60.78
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008066672	0	42	-1.0	-64.40	352.14	8.39	-56.01
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008066673	0	41	-1.0	-69.06	324.83	3.09	-65.97
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008066674	0	45	-1.0	-64.12	340.12	7.60	-56.52
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008066675	0	36	-1.0	-46.30	306.68	6.06	-40.24
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300008066676	0	54	-1.0	-61.54	397.03	9.55	-51.99
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066677	0	43	-1.0	-49.10	343.88	5.85	-43.25
COC1=CSC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1OC	REAL300008066678	0	37	-1.0	-64.35	323.16	3.45	-60.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008066679	0	44	-1.0	-61.02	329.27	5.89	-55.13
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066680	0	43	-1.0	-60.46	343.67	7.09	-53.37
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008066681	0	36	-1.0	-59.23	316.95	6.48	-52.75
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(F)=C1	REAL300008066682	0	36	-1.0	-62.34	305.88	4.95	-57.39
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008066683	0	36	-1.0	-62.02	311.45	4.96	-57.06
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066684	0	38	-1.0	-58.21	306.99	5.11	-53.10
CN1C=CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300008066685	0	39	-1.0	-63.55	321.17	7.14	-56.41
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008066686	0	41	-1.0	-58.34	346.34	5.85	-52.49
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066687	0	45	-1.0	-55.15	355.08	7.06	-48.09
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008066688	0	43	-1.0	-59.35	356.21	8.22	-51.13
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066689	0	38	-1.0	-76.20	310.89	7.23	-68.97
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008066690	0	33	-1.0	-46.48	307.19	3.73	-42.75
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066691	0	43	-1.0	-60.60	351.20	7.00	-53.60
CCN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2CC2)=N1	REAL300008066692	0	42	-1.0	-60.62	342.18	6.08	-54.54
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300008066693	0	36	-1.0	-68.70	299.04	4.80	-63.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008066694	0	38	-1.0	-58.36	329.94	8.14	-50.22
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008066695	0	42	-1.0	-58.50	358.33	9.29	-49.21
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008066696	0	31	-1.0	-62.31	298.56	3.72	-58.59
CCC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1Br	REAL300008066697	0	38	-1.0	-56.43	326.55	7.24	-49.19
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066698	0	45	-1.0	-51.44	354.33	5.88	-45.56
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300008066699	0	29	-1.0	-43.82	271.68	4.26	-39.56
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066700	0	46	-1.0	-53.82	368.86	5.16	-48.66
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008066701	0	38	-1.0	-50.37	318.69	7.30	-43.07
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066702	0	40	-1.0	-55.90	314.43	2.83	-53.07
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008066703	0	39	-1.0	-63.64	303.97	7.23	-56.41
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C)(C)CC1	REAL300008066704	0	43	-1.0	-59.82	319.50	5.36	-54.46
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008066705	0	47	-1.0	-60.82	372.63	5.84	-54.98
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066706	0	35	-1.0	-47.04	306.63	2.53	-44.51
COC1=NC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300008066707	0	38	-1.0	-57.05	314.86	2.75	-54.30
CC(C)CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300008066708	0	41	-1.0	-61.31	336.65	5.52	-55.79
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066709	0	41	-1.0	-48.80	325.19	4.16	-44.64
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008066710	0	42	-1.0	-61.59	323.14	2.59	-59.00
COCC1=CC(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=NO1	REAL300008066711	0	38	-1.0	-70.46	324.48	3.42	-67.04
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008066712	0	37	-1.0	-60.24	327.19	7.46	-52.78
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])N=C1	REAL300008066713	0	43	-1.0	-63.65	343.13	6.15	-57.50
CC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066714	0	38	-1.0	-48.25	308.08	3.94	-44.31
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300008066715	0	39	-1.0	-55.74	317.76	5.60	-50.14
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008066716	0	39	-1.0	-60.23	327.25	6.62	-53.61
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008066717	0	34	-1.0	-48.65	297.14	4.07	-44.58
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300008066718	0	37	-1.0	-64.58	301.38	5.74	-58.84
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=NN1C(C)C	REAL300008066719	0	41	-1.0	-53.48	325.78	4.44	-49.04
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300008066720	0	46	-1.0	-59.61	376.47	8.93	-50.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008066721	0	37	-1.0	-68.28	304.11	6.54	-61.74
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300008066722	0	35	-1.0	-57.90	298.53	5.01	-52.89
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066723	0	40	-1.0	-69.81	326.91	1.18	-68.63
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300008066724	0	39	-1.0	-58.70	298.43	3.41	-55.29
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C#N)CC1	REAL300008066725	0	38	-1.0	-64.44	305.30	4.79	-59.65
COC1=CC=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066726	0	35	-1.0	-63.04	299.20	2.95	-60.09
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C(F)F)=C1	REAL300008066727	0	39	-1.0	-42.33	316.06	4.83	-37.50
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])N=C1	REAL300008066728	0	35	-1.0	-62.99	296.14	3.12	-59.87
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066729	0	38	-1.0	-47.14	328.91	3.01	-44.13
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008066730	0	37	-1.0	-51.48	296.87	4.87	-46.61
CCOC1=CC=CN=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300008066731	0	38	-1.0	-70.06	315.64	5.06	-65.00
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=NC=CC=C12	REAL300008066732	0	40	-1.0	-57.99	321.40	6.29	-51.70
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300008066733	0	36	-1.0	-62.64	301.77	5.36	-57.28
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008066734	0	34	-1.0	-62.68	295.83	5.07	-57.61
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008066735	0	39	-1.0	-46.06	338.45	5.67	-40.39
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300008066736	0	45	-1.0	-65.51	357.71	7.71	-57.80
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066866	0	46	-1.0	-139.56	372.87	7.16	-132.40
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067376	0	36	-1.0	-47.76	307.97	4.73	-43.03
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067377	0	43	-1.0	-50.13	359.98	5.07	-45.06
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1C	REAL300008067378	0	43	-1.0	-51.76	369.92	1.77	-49.99
O=C([O-])CC1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300008067379	0	50	-1.0	-44.46	365.41	6.50	-37.96
CC1=NC2=C(S(=O)(=O)N3CCC(CC(=O)[O-])C3)C=CC=C2C=C1	REAL300008067380	0	40	-1.0	-53.43	333.27	6.32	-47.11
O=C([O-])CC1CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300008067381	0	40	-1.0	-53.93	343.14	6.71	-47.22
O=C([O-])CC1CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300008067382	0	43	-1.0	-48.34	355.69	3.37	-44.97
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067383	0	46	-1.0	-49.56	394.66	5.96	-43.60
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067384	0	46	-1.0	-49.87	389.18	6.15	-43.72
CCCN1C=NC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067385	0	38	-1.0	-52.16	325.12	5.60	-46.56
COCCOCCOCCS(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067386	0	46	-1.0	-51.17	387.03	2.13	-49.04
CC(COC1CCCC1)CS(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067387	0	48	-1.0	-48.08	379.37	6.18	-41.90
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067388	0	39	-1.0	-46.35	346.31	5.14	-41.21
O=C([O-])CC1CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300008067389	0	40	-1.0	-48.58	335.61	2.59	-45.99
COC1=CC(Br)=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067390	0	36	-1.0	-46.11	329.66	4.75	-41.36
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300008067391	0	36	-1.0	-46.92	317.73	5.01	-41.91
COC1=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300008067392	0	38	-1.0	-48.48	333.07	5.57	-42.91
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067393	0	38	-1.0	-44.84	325.40	6.34	-38.50
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067394	0	38	-1.0	-45.65	324.43	6.30	-39.35
CC1=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300008067395	0	38	-1.0	-45.11	332.50	6.31	-38.80
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067396	0	41	-1.0	-46.60	324.04	6.44	-40.16
O=C([O-])CC1CCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300008067397	0	44	-1.0	-49.25	352.24	1.79	-47.46
CCOC1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067398	0	39	-1.0	-48.43	328.90	5.05	-43.38
COCCN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=N1	REAL300008067399	0	39	-1.0	-49.18	337.51	2.46	-46.72
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300008067400	0	39	-1.0	-51.30	341.91	5.37	-45.93
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1C	REAL300008067401	0	59	-1.0	-48.28	465.97	9.44	-38.84
O=C([O-])CC1CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300008067402	0	40	-1.0	-52.74	352.03	6.99	-45.75
O=C([O-])CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300008067403	0	37	-1.0	-49.68	318.73	5.18	-44.50
O=C([O-])CC1CCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300008067404	0	35	-1.0	-50.89	322.80	6.19	-44.70
O=C([O-])CC1CCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300008067405	0	35	-1.0	-49.33	317.95	6.11	-43.22
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300008067406	0	39	-1.0	-60.67	342.36	2.70	-57.97
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067407	0	35	-1.0	-46.06	320.46	6.11	-39.95
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067408	0	35	-1.0	-45.30	303.50	5.81	-39.49
COCC1=CC=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067409	0	39	-1.0	-46.68	325.84	4.91	-41.77
COC1=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=CC=C1Br	REAL300008067410	0	36	-1.0	-45.87	328.00	4.77	-41.10
COC1=CC(OC)=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1Cl	REAL300008067411	0	40	-1.0	-48.85	347.40	4.60	-44.25
O=C([O-])CC1CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300008067412	0	35	-1.0	-52.59	321.71	3.91	-48.68
O=C([O-])CC1CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300008067413	0	35	-1.0	-51.66	315.69	3.74	-47.92
CC1(C)CC2=CC(S(=O)(=O)N3CCC(CC(=O)[O-])C3)=CC=C2O1	REAL300008067414	0	43	-1.0	-47.62	355.19	6.09	-41.53
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300008067415	0	35	-1.0	-50.07	315.10	3.88	-46.19
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067416	0	43	-1.0	-51.47	361.71	3.81	-47.66
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067417	0	44	-1.0	-53.33	381.72	4.02	-49.31
CSC1=CC=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067418	0	36	-1.0	-49.55	308.01	5.63	-43.92
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1F	REAL300008067419	0	40	-1.0	-50.18	357.04	1.57	-48.61
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067420	0	46	-1.0	-51.10	397.23	2.58	-48.52
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067421	0	43	-1.0	-60.19	363.47	4.73	-55.46
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1F	REAL300008067422	0	43	-1.0	-49.18	378.50	2.47	-46.71
CCC1=CC=C(CS(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067423	0	41	-1.0	-47.85	345.55	7.00	-40.85
O=C([O-])CC1CCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300008067424	0	35	-1.0	-47.04	314.39	5.43	-41.61
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300008067425	0	47	-1.0	-50.13	391.30	5.26	-44.87
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300008067426	0	44	-1.0	-51.48	373.74	4.72	-46.76
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067427	0	41	-1.0	-54.57	359.72	3.25	-51.32
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067428	0	42	-1.0	-56.63	362.27	2.19	-54.44
CC1=CC=C(CS(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1C	REAL300008067429	0	41	-1.0	-51.15	339.92	6.78	-44.37
CCOC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1Br	REAL300008067430	0	39	-1.0	-46.73	349.84	5.69	-41.04
COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300008067431	0	46	-1.0	-48.74	386.54	7.88	-40.86
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300008067432	0	36	-1.0	-46.76	328.06	5.46	-41.30
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067433	0	39	-1.0	-49.21	347.96	5.40	-43.81
CC1(C)CN(S(=O)(=O)N2CCC(CC(=O)[O-])C2)CCO1	REAL300008067434	0	41	-1.0	-45.84	324.12	3.04	-42.80
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC(CC(=O)[O-])C3)C=C2S1	REAL300008067435	0	46	-1.0	-47.58	391.08	6.75	-40.83
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067436	0	39	-1.0	-48.18	341.18	5.88	-42.30
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(CC(=O)[O-])C3)=CC=C21	REAL300008067437	0	44	-1.0	-49.13	368.47	6.38	-42.75
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067438	0	39	-1.0	-55.77	342.41	-0.44	-56.21
CC1=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300008067439	0	38	-1.0	-46.80	335.30	5.92	-40.88
O=C([O-])CC1CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300008067440	0	35	-1.0	-45.69	333.71	6.76	-38.93
CC1=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300008067441	0	38	-1.0	-46.43	340.69	7.60	-38.83
O=C([O-])CC1CCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300008067442	0	35	-1.0	-47.73	325.01	6.49	-41.24
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300008067443	0	38	-1.0	-50.77	330.21	7.34	-43.43
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300008067444	0	38	-1.0	-48.73	339.07	6.58	-42.15
O=C([O-])CC1CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300008067445	0	43	-1.0	-49.51	359.52	6.16	-43.35
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300008067446	0	46	-1.0	-47.09	386.73	8.17	-38.92
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067447	0	45	-1.0	-53.31	384.61	6.33	-46.98
O=C([O-])CC1CCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300008067448	0	43	-1.0	-54.73	378.56	1.88	-52.85
CC1=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300008067449	0	41	-1.0	-46.99	346.94	7.77	-39.22
CC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1N(C)C	REAL300008067450	0	43	-1.0	-46.18	352.68	5.44	-40.74
O=C([O-])CC1CCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300008067451	0	38	-1.0	-47.70	340.88	6.81	-40.89
O=C([O-])CC1CCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300008067452	0	37	-1.0	-50.87	313.32	1.81	-49.06
O=C([O-])CC1CCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300008067453	0	45	-1.0	-47.22	363.30	5.28	-41.94
COC1=CC(C)=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1Cl	REAL300008067454	0	39	-1.0	-46.42	331.05	5.17	-41.25
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067455	0	41	-1.0	-61.44	362.21	3.09	-58.35
CSC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1Cl	REAL300008067456	0	36	-1.0	-47.12	332.76	6.30	-40.82
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067457	0	44	-1.0	-48.73	355.53	5.36	-43.37
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CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(CC(=O)[O-])C3)C=C12	REAL300008067459	0	39	-1.0	-49.84	338.99	2.55	-47.29
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CN1N=CC2=CC(S(=O)(=O)N3CCC(CC(=O)[O-])C3)=CN=C21	REAL300008067461	0	37	-1.0	-49.53	321.90	3.96	-45.57
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CCC1=CC(CC)=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(CC)=C1	REAL300008067463	0	50	-1.0	-45.73	369.59	8.99	-36.74
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COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C)=C1F	REAL300008067467	0	39	-1.0	-47.77	322.51	4.64	-43.13
CC1(CS(=O)(=O)N2CCC(CC(=O)[O-])C2)CCCCC1	REAL300008067468	0	44	-1.0	-46.88	328.39	6.33	-40.55
O=C([O-])CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300008067469	0	41	-1.0	-47.31	338.55	6.20	-41.11
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COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067472	0	39	-1.0	-46.15	350.68	5.06	-41.09
CC1=CC=C(CS(=O)(=O)N2CCC(CC(=O)[O-])C2)C(F)=C1	REAL300008067473	0	38	-1.0	-50.73	327.95	6.26	-44.47
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CC(C)(C)C1=CC(CS(=O)(=O)N2CCC(CC(=O)[O-])C2)=NO1	REAL300008067477	0	43	-1.0	-51.48	359.36	5.55	-45.93
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CC1=C(CCS(=O)(=O)N2CCC(CC(=O)[O-])C2)SC=N1	REAL300008067480	0	37	-1.0	-48.48	327.60	4.07	-44.41
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COC1=CC=C2C=C(S(=O)(=O)N3CCC(CC(=O)[O-])C3)CCC2=C1	REAL300008067482	0	44	-1.0	-47.77	362.02	6.51	-41.26
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CC(C)(CCS(=O)(=O)N1CCC(CC(=O)[O-])C1)S(C)(=O)=O	REAL300008067484	0	43	-1.0	-57.97	351.80	1.93	-56.04
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CCC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008067487	0	40	-1.0	-49.92	340.46	6.65	-43.27
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CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067493	0	37	-1.0	-48.08	313.91	5.97	-42.11
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CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067495	0	39	-1.0	-47.10	344.05	6.19	-40.91
CCOC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067496	0	39	-1.0	-47.06	328.90	5.05	-42.01
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1C	REAL300008067497	0	44	-1.0	-46.44	337.55	7.37	-39.07
CC1=CC(C)=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C)=C1	REAL300008067498	0	41	-1.0	-46.59	326.15	7.07	-39.52
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067499	0	47	-1.0	-45.85	361.80	7.61	-38.24
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CC(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067503	0	37	-1.0	-49.95	320.81	5.29	-44.66
COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008067504	0	38	-1.0	-51.26	333.58	5.54	-45.72
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067505	0	44	-1.0	-46.49	353.76	7.14	-39.35
CC(C)C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067506	0	41	-1.0	-46.56	337.78	6.75	-39.81
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067507	0	43	-1.0	-51.20	373.66	2.80	-48.40
CCCC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067508	0	41	-1.0	-46.04	342.45	7.02	-39.02
COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1Br	REAL300008067509	0	36	-1.0	-47.54	327.46	4.80	-42.74
CC1=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=CC=C1Br	REAL300008067510	0	35	-1.0	-44.95	317.56	5.98	-38.97
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC(CC(=O)[O-])C3)C=C2)=C1	REAL300008067511	0	46	-1.0	-47.46	387.67	8.35	-39.11
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CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C)=C1C	REAL300008067513	0	47	-1.0	-46.74	348.48	7.74	-39.00
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COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067515	0	48	-1.0	-48.32	377.73	6.97	-41.35
CC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008067516	0	37	-1.0	-49.17	322.27	5.99	-43.18
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067517	0	36	-1.0	-47.30	322.88	5.29	-42.01
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067518	0	50	-1.0	-46.06	380.96	8.72	-37.34
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300008067519	0	35	-1.0	-45.21	316.82	5.80	-39.41
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COC1=CC=C(OC)C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067521	0	40	-1.0	-49.84	331.04	3.96	-45.88
COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1OC	REAL300008067522	0	40	-1.0	-48.83	336.28	4.03	-44.80
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300008067523	0	39	-1.0	-47.16	324.07	6.71	-40.45
O=C([O-])CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300008067524	0	40	-1.0	-46.80	332.57	7.21	-39.59
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300008067525	0	37	-1.0	-47.63	313.47	4.67	-42.96
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067526	0	47	-1.0	-45.97	381.53	8.31	-37.66
CCOC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1OCC	REAL300008067527	0	46	-1.0	-48.47	379.99	5.87	-42.60
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067528	0	37	-1.0	-52.40	332.30	-0.25	-52.65
CC1=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300008067529	0	40	-1.0	-49.43	338.84	6.55	-42.88
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1C	REAL300008067530	0	40	-1.0	-47.33	331.44	6.52	-40.81
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(CC(=O)[O-])C3)=C2N=C1	REAL300008067531	0	40	-1.0	-52.67	334.66	6.43	-46.24
COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300008067532	0	38	-1.0	-53.01	327.31	5.85	-47.16
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067533	0	36	-1.0	-46.34	318.31	5.19	-41.15
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067534	0	37	-1.0	-53.78	331.74	-0.21	-53.99
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300008067535	0	44	-1.0	-51.81	387.08	2.65	-49.16
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067536	0	40	-1.0	-47.85	346.21	6.27	-41.58
O=C([O-])CC1CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300008067537	0	41	-1.0	-46.24	335.05	6.13	-40.11
CC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C2=CC=CN=C12	REAL300008067538	0	40	-1.0	-48.91	328.41	5.78	-43.13
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1C	REAL300008067539	0	40	-1.0	-55.12	334.54	7.74	-47.38
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067540	0	43	-1.0	-50.52	373.68	2.80	-47.72
O=C([O-])CC1CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300008067541	0	44	-1.0	-55.50	364.44	4.17	-51.33
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067542	0	38	-1.0	-53.39	338.78	2.32	-51.07
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300008067543	0	42	-1.0	-46.66	338.83	8.24	-38.42
CC1CC(C)CN(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C1	REAL300008067544	0	43	-1.0	-44.61	338.16	5.21	-39.40
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300008067545	0	38	-1.0	-49.65	313.48	6.84	-42.81
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300008067546	0	42	-1.0	-47.80	353.04	8.24	-39.56
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067547	0	35	-1.0	-45.67	292.09	5.36	-40.31
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC(CC(=O)[O-])C3)C=CC=C12	REAL300008067548	0	46	-1.0	-47.57	366.32	6.70	-40.87
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300008067549	0	33	-1.0	-50.87	299.62	3.23	-47.64
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067550	0	36	-1.0	-47.40	318.31	5.19	-42.21
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067551	0	47	-1.0	-46.43	367.98	7.61	-38.82
CC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1Cl	REAL300008067552	0	35	-1.0	-46.51	313.01	5.93	-40.58
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067553	0	42	-1.0	-47.07	346.83	5.67	-41.40
O=C([O-])CC1CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300008067554	0	35	-1.0	-50.90	318.23	6.09	-44.81
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300008067555	0	33	-1.0	-52.74	292.57	3.63	-49.11
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300008067556	0	37	-1.0	-50.25	338.23	7.70	-42.55
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300008067557	0	37	-1.0	-53.39	314.04	5.79	-47.60
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300008067558	0	43	-1.0	-47.04	383.24	8.25	-38.79
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067559	0	38	-1.0	-46.68	329.80	5.34	-41.34
COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1F	REAL300008067560	0	36	-1.0	-48.30	313.26	4.20	-44.10
CC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1F	REAL300008067561	0	35	-1.0	-47.01	304.27	5.53	-41.48
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CC(C)COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067578	0	45	-1.0	-46.70	370.50	6.55	-40.15
CCCOC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067579	0	42	-1.0	-46.78	350.40	5.85	-40.93
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COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1C	REAL300008067582	0	39	-1.0	-47.41	327.12	4.87	-42.54
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COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C)=C1	REAL300008067584	0	39	-1.0	-46.99	315.36	4.61	-42.38
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CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1C	REAL300008067588	0	40	-1.0	-52.67	322.66	7.22	-45.45
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067589	0	41	-1.0	-54.56	346.39	2.82	-51.74
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CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067591	0	40	-1.0	-51.67	354.67	0.97	-50.70
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067592	0	40	-1.0	-51.60	340.44	2.99	-48.61
CC1=NC(C)=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)S1	REAL300008067593	0	34	-1.0	-45.88	305.89	3.26	-42.62
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CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(CC(=O)[O-])C3)S2)=CS1	REAL300008067598	0	38	-1.0	-48.26	357.26	5.40	-42.86
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CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067600	0	40	-1.0	-52.85	335.39	6.44	-46.41
CNC(=O)C1=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=CN1C	REAL300008067601	0	40	-1.0	-51.20	342.45	2.49	-48.71
COC1=CC(C)=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C)=C1	REAL300008067602	0	42	-1.0	-46.90	334.15	5.69	-41.21
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COC1=CC(C)=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1C	REAL300008067604	0	42	-1.0	-46.45	334.97	5.34	-41.11
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CCN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300008067608	0	37	-1.0	-52.78	330.25	5.57	-47.21
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CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067611	0	40	-1.0	-53.85	340.63	6.09	-47.76
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CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067614	0	54	-1.0	-45.82	415.12	7.78	-38.04
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CCOC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C2=CC=CC=C12	REAL300008067617	0	45	-1.0	-48.96	363.65	7.12	-41.84
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067618	0	42	-1.0	-48.55	344.20	6.23	-42.32
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CCOCCOC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067621	0	46	-1.0	-49.03	384.38	5.29	-43.74
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067622	0	48	-1.0	-46.71	393.40	7.41	-39.30
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CCOC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C)=C1	REAL300008067630	0	42	-1.0	-46.75	337.22	5.53	-41.22
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067631	0	40	-1.0	-51.38	354.69	0.97	-50.41
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CSC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067633	0	36	-1.0	-46.61	318.26	5.82	-40.79
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CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067635	0	43	-1.0	-46.68	348.69	6.60	-40.08
CCN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)N=C1C	REAL300008067636	0	38	-1.0	-52.42	323.64	4.62	-47.80
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CC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1C(F)(F)F	REAL300008067640	0	38	-1.0	-46.64	332.50	6.32	-40.32
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CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(CC(=O)[O-])C3)C=C12	REAL300008067643	0	40	-1.0	-49.53	344.07	4.56	-44.97
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067644	0	39	-1.0	-50.46	346.13	5.43	-45.03
COCC1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067645	0	39	-1.0	-48.37	332.62	4.55	-43.82
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC(CC(=O)[O-])C3)=C2O1	REAL300008067646	0	43	-1.0	-49.97	352.26	6.06	-43.91
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CC1CC2=CC(S(=O)(=O)N3CCC(CC(=O)[O-])C3)=CC=C2O1	REAL300008067652	0	40	-1.0	-47.42	334.62	5.43	-41.99
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067653	0	44	-1.0	-45.15	331.41	7.80	-37.35
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067654	0	44	-1.0	-51.95	360.43	3.36	-48.59
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CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(CC(=O)[O-])C3)C=C2)=CO1	REAL300008067658	0	41	-1.0	-51.41	353.95	3.88	-47.53
CN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300008067659	0	35	-1.0	-50.76	306.97	3.30	-47.46
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COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=N1	REAL300008067662	0	35	-1.0	-46.88	304.72	1.52	-45.36
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CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(CC(=O)[O-])C3)C=N2)C=C1	REAL300008067665	0	42	-1.0	-50.12	360.49	6.62	-43.50
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CC(C)OC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=N1	REAL300008067740	0	41	-1.0	-46.76	348.04	3.38	-43.38
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067741	0	36	-1.0	-48.15	308.54	4.93	-43.22
CCOC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1C(C)C	REAL300008067742	0	48	-1.0	-46.39	388.03	7.05	-39.34
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1F	REAL300008067743	0	44	-1.0	-46.50	355.77	7.08	-39.42
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CCOCCOC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1C(C)C	REAL300008067773	0	55	-1.0	-48.73	443.51	7.27	-41.46
CC1CC2=CC=CC(S(=O)(=O)N3CCC(CC(=O)[O-])C3)=C2O1	REAL300008067774	0	40	-1.0	-49.80	332.89	5.49	-44.31
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)S1	REAL300008067775	0	40	-1.0	-46.03	346.78	4.45	-41.58
O=C([O-])CC1CCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300008067776	0	38	-1.0	-49.18	330.86	5.42	-43.76
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067777	0	37	-1.0	-55.90	318.75	4.41	-51.49
O=C([O-])CC1CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300008067778	0	41	-1.0	-45.54	323.82	4.77	-40.77
O=C([O-])CC1CCN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C23)C1	REAL300008067779	0	36	-1.0	-49.13	328.71	5.21	-43.92
O=C([O-])CC1CCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300008067780	0	33	-1.0	-45.90	292.64	3.63	-42.27
O=C([O-])CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300008067781	0	35	-1.0	-48.24	316.64	6.27	-41.97
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067782	0	39	-1.0	-46.31	330.97	4.46	-41.85
CC1=CC(C)=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C)=C1F	REAL300008067783	0	41	-1.0	-45.07	327.07	6.92	-38.15
COC1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1OC	REAL300008067784	0	40	-1.0	-49.56	331.54	4.68	-44.88
O=C([O-])CC1CCN(S(=O)(=O)C2=COC3=CC=CC=C32)C1	REAL300008067785	0	35	-1.0	-48.47	303.70	4.96	-43.51
CN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C2CCCC2)=N1	REAL300008067786	0	45	-1.0	-49.07	357.53	5.41	-43.66
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067787	0	44	-1.0	-48.71	356.54	5.43	-43.28
CCCCN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C)=N1	REAL300008067788	0	44	-1.0	-48.40	360.40	5.38	-43.02
CN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C2CC2)=N1	REAL300008067789	0	39	-1.0	-49.50	327.63	4.49	-45.01
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300008067790	0	36	-1.0	-48.98	316.80	4.40	-44.58
CN1N=NC2=C(S(=O)(=O)N3CCC(CC(=O)[O-])C3)C=CC=C21	REAL300008067791	0	37	-1.0	-57.11	319.58	3.29	-53.82
CC1=CC(C)=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1Br	REAL300008067792	0	38	-1.0	-45.54	325.32	6.48	-39.06
CC1(C)CCCN(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C1	REAL300008067793	0	43	-1.0	-44.84	332.82	5.22	-39.62
O=C([O-])CC1CCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300008067794	0	38	-1.0	-47.33	346.08	5.98	-41.35
CN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C2CCC2)=N1	REAL300008067795	0	42	-1.0	-49.14	340.62	4.85	-44.29
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067796	0	50	-1.0	-45.92	383.50	8.33	-37.59
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300008067797	0	38	-1.0	-46.86	348.76	6.70	-40.16
O=C([O-])CC1CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300008067798	0	42	-1.0	-49.37	352.49	5.47	-43.90
O=C([O-])CC1CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300008067799	0	36	-1.0	-47.78	317.82	5.91	-41.87
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300008067800	0	43	-1.0	-48.21	371.17	7.70	-40.51
COC1=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300008067801	0	41	-1.0	-57.71	343.96	6.03	-51.68
CCCC1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067802	0	41	-1.0	-46.91	341.94	7.04	-39.87
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067803	0	39	-1.0	-47.70	322.03	4.28	-43.42
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067804	0	41	-1.0	-45.52	319.64	4.42	-41.10
CC(C)(C)N1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=N1	REAL300008067805	0	41	-1.0	-48.81	342.27	4.56	-44.25
O=C([O-])CC1CCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300008067806	0	39	-1.0	-48.22	318.07	3.62	-44.60
CC1=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300008067807	0	37	-1.0	-46.39	328.75	4.65	-41.74
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300008067808	0	35	-1.0	-44.69	323.22	5.91	-38.78
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067809	0	43	-1.0	-53.61	362.13	6.86	-46.75
O=C([O-])CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300008067810	0	43	-1.0	-47.44	346.29	7.90	-39.54
O=C([O-])CC1CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300008067811	0	38	-1.0	-46.18	340.76	5.85	-40.33
O=C([O-])CC1CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300008067812	0	38	-1.0	-47.82	320.77	5.29	-42.53
O=C([O-])CC1CCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300008067813	0	39	-1.0	-51.04	331.97	3.19	-47.85
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067814	0	42	-1.0	-46.64	374.28	5.57	-41.07
O=C([O-])CC1CCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300008067815	0	32	-1.0	-47.17	301.05	5.05	-42.12
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COC1=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=CS1	REAL300008067817	0	33	-1.0	-48.09	297.14	3.36	-44.73
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300008067818	0	42	-1.0	-45.87	342.45	5.44	-40.43
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067819	0	41	-1.0	-46.25	338.76	4.63	-41.62
CN(C1CCCCCC1)S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067820	0	46	-1.0	-45.27	348.72	5.80	-39.47
CN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300008067821	0	46	-1.0	-48.99	369.23	3.72	-45.27
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067822	0	38	-1.0	-47.57	330.75	6.36	-41.21
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300008067823	0	36	-1.0	-48.63	316.80	4.41	-44.22
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COC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)S1	REAL300008067825	0	33	-1.0	-46.39	302.34	3.26	-43.13
CC1=CC(C)=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C2=NC=CC=C12	REAL300008067826	0	43	-1.0	-53.84	341.34	6.86	-46.98
O=C([O-])CC1CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300008067827	0	40	-1.0	-47.62	334.32	4.92	-42.70
O=C([O-])CC1CCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300008067828	0	35	-1.0	-49.14	310.43	3.54	-45.60
CCOCC1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067829	0	42	-1.0	-48.30	354.47	5.51	-42.79
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067830	0	42	-1.0	-48.01	356.44	6.09	-41.92
O=C([O-])CC1CCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300008067831	0	45	-1.0	-47.90	364.46	5.77	-42.13
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300008067832	0	43	-1.0	-47.53	366.24	7.67	-39.86
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300008067833	0	35	-1.0	-49.15	300.53	5.91	-43.24
CC1=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=CC(C)=C1Br	REAL300008067834	0	38	-1.0	-45.53	335.45	6.58	-38.95
CC1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C2=CC=CC=C12	REAL300008067835	0	41	-1.0	-49.77	331.28	7.38	-42.39
CN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300008067836	0	42	-1.0	-49.73	350.89	5.99	-43.74
O=C([O-])CC1CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300008067837	0	36	-1.0	-46.59	316.65	6.08	-40.51
O=C([O-])CC1CCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300008067838	0	36	-1.0	-46.59	331.72	6.62	-39.97
O=C([O-])CC1CCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300008067839	0	36	-1.0	-46.13	331.53	6.64	-39.49
O=C([O-])CC1CCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300008067840	0	37	-1.0	-56.71	320.68	-1.22	-57.93
O=C([O-])CC1CCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300008067841	0	35	-1.0	-50.96	303.30	5.24	-45.72
O=C([O-])CC1CCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300008067842	0	38	-1.0	-49.01	310.95	5.28	-43.73
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300008067843	0	34	-1.0	-49.36	308.70	4.25	-45.11
O=C([O-])CC1CCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300008067844	0	40	-1.0	-47.46	333.17	2.02	-45.44
CC1=NC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300008067845	0	41	-1.0	-49.90	354.58	3.80	-46.10
O=C([O-])CC1CCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300008067846	0	49	-1.0	-46.11	355.91	7.73	-38.38
CC1(C)COC(CS(=O)(=O)N2CCC(CC(=O)[O-])C2)C1	REAL300008067847	0	42	-1.0	-49.80	338.57	4.13	-45.67
O=C([O-])CC1CCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300008067848	0	35	-1.0	-56.48	308.68	0.52	-55.96
CC(C)(CS(=O)(=O)N1CCC(CC(=O)[O-])C1)C(C)(F)F	REAL300008067849	0	40	-1.0	-46.96	317.36	5.31	-41.65
CS(=O)(=O)CCCCS(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067850	0	40	-1.0	-59.31	348.16	1.65	-57.66
CC1(C)CCC(CS(=O)(=O)N2CCC(CC(=O)[O-])C2)OC1	REAL300008067851	0	45	-1.0	-49.82	352.46	4.98	-44.84
O=C([O-])CC1CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300008067852	0	42	-1.0	-46.40	349.42	7.13	-39.27
O=C([O-])CC1CCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300008067853	0	36	-1.0	-52.76	326.08	3.85	-48.91
O=C([O-])CC1CCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300008067854	0	42	-1.0	-50.00	360.04	7.67	-42.33
O=C([O-])CC1CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300008067855	0	41	-1.0	-50.01	331.24	2.22	-47.79
O=C([O-])CC1CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300008067856	0	45	-1.0	-46.06	345.94	6.83	-39.23
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300008067857	0	36	-1.0	-46.10	321.87	6.13	-39.97
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC(CC(=O)[O-])C3)=CC=C21	REAL300008067858	0	54	-1.0	-46.26	407.77	8.98	-37.28
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300008067859	0	43	-1.0	-47.26	354.88	5.84	-41.42
COC1=CSC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1OC	REAL300008067860	0	37	-1.0	-47.76	327.66	3.58	-44.18
O=C([O-])CC1CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300008067861	0	44	-1.0	-45.98	337.87	5.31	-40.67
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067862	0	43	-1.0	-46.34	359.60	6.68	-39.66
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300008067863	0	36	-1.0	-49.22	327.07	5.63	-43.59
COC1=CC(F)=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(F)=C1	REAL300008067864	0	36	-1.0	-48.77	315.80	4.43	-44.34
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300008067865	0	36	-1.0	-48.88	323.56	4.45	-44.43
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067866	0	38	-1.0	-48.47	322.19	4.79	-43.68
CN1C=CC2=CC(S(=O)(=O)N3CCC(CC(=O)[O-])C3)=CC=C21	REAL300008067867	0	39	-1.0	-50.60	331.46	6.61	-43.99
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300008067868	0	41	-1.0	-46.94	356.63	5.31	-41.63
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067869	0	45	-1.0	-49.81	371.27	7.26	-42.55
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300008067870	0	43	-1.0	-48.40	366.27	7.68	-40.72
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC(CC(=O)[O-])C1	REAL300008067871	0	38	-1.0	-53.77	317.62	6.60	-47.17
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300008067872	0	33	-1.0	-48.87	316.30	3.73	-45.14
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300008067873	0	43	-1.0	-48.79	361.22	6.45	-42.34
CCN1C=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C(C2CC2)=N1	REAL300008067874	0	42	-1.0	-49.43	348.56	5.38	-44.05
CC1=C(S(=O)(=O)N2CCC(CC(=O)[O-])C2)C2=NSN=C2C=C1	REAL300008067875	0	36	-1.0	-51.43	311.67	3.95	-47.48
O=C([O-])CC1CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300008067876	0	38	-1.0	-46.79	341.16	7.60	-39.19
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300008067877	0	42	-1.0	-46.64	368.68	8.77	-37.87
O=C([O-])CC1CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300008067878	0	31	-1.0	-48.76	305.14	2.83	-45.93
CCC1=CC(S(=O)(=O)N2CCC(CC(=O)[O-])C2)=CC=C1Br	REAL300008067879	0	38	-1.0	-45.23	336.58	6.70	-38.53
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CC1=NC=C(S(=O)(=O)NCC2=CC=CC=C2C2CCC2)C=C1C(=O)[O-]	REAL300008067985	0	44	-1.0	-45.94	367.75	6.19	-39.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CC=CC=C1C1CCC1	REAL300008067986	0	46	-1.0	-48.35	376.57	7.37	-40.98
COC1=CC(S(=O)(=O)NCC2=CC=CC=C2C2CCC2)=CC=C1C(=O)[O-]	REAL300008067987	0	46	-1.0	-53.78	383.41	7.61	-46.17
COC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C2CCC2)C(CC(=O)[O-])=C1	REAL300008067988	0	49	-1.0	-58.05	397.12	8.09	-49.96
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C2CCC2)C=C1F	REAL300008067989	0	45	-1.0	-50.52	383.73	8.35	-42.17
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C2CCC2)C=C1	REAL300008067990	0	51	-1.0	-49.69	409.31	9.17	-40.52
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC=CC=C1C1CCC1	REAL300008067991	0	42	-1.0	-51.41	348.05	5.86	-45.55
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NCC3=CC=CC=C3C3CCC3)C=CC=C12	REAL300008067992	0	48	-1.0	-50.54	392.40	9.74	-40.80
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=CC=CC=C2C2CCC2)=C1	REAL300008067993	0	42	-1.0	-50.11	359.04	6.44	-43.67
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC=C2C2CCC2)=CC=C1Cl	REAL300008067994	0	42	-1.0	-50.14	368.82	7.86	-42.28
O=C([O-])C1=C(S(=O)(=O)NCC2=CC=CC=C2C2CCC2)OC=C1	REAL300008067995	0	39	-1.0	-54.36	333.36	6.39	-47.97
O=C([O-])C1(S(=O)(=O)NCC2=CC=CC=C2C2CCC2)CCC1	REAL300008067996	0	42	-1.0	-46.56	337.81	6.57	-39.99
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=CC=CC=C2C2CCC2)=C1	REAL300008067997	0	46	-1.0	-50.37	374.83	7.72	-42.65
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CC=CC=C1C1CCC1	REAL300008067998	0	39	-1.0	-53.13	332.25	4.56	-48.57
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC=CC=C1C1CCC1	REAL300008067999	0	42	-1.0	-51.41	348.05	5.86	-45.55
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076473	0	35	-1.0	-40.30	285.38	3.66	-36.64
CC1=C(Br)C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008076474	0	36	-1.0	-38.50	327.95	5.16	-33.34
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076475	0	42	-1.0	-45.27	345.04	3.87	-41.40
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C	REAL300008076476	0	42	-1.0	-44.30	360.23	0.60	-43.70
CC(C)[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008076477	0	49	-1.0	-41.61	358.80	5.30	-36.31
CC1=NC2=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300008076478	0	39	-1.0	-49.83	312.75	5.09	-44.74
CC(C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008076479	0	39	-1.0	-50.75	328.18	5.32	-45.43
CC(C)[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008076480	0	42	-1.0	-46.50	346.03	2.06	-44.44
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076481	0	45	-1.0	-41.62	373.79	4.71	-36.91
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076482	0	45	-1.0	-44.94	385.22	4.78	-40.16
COCCOCCOCCS(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076483	0	45	-1.0	-48.22	380.69	0.89	-47.33
CC(COC1CCCC1)CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076484	0	47	-1.0	-38.52	367.67	4.84	-33.68
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300008076485	0	46	-1.0	-40.42	373.39	5.00	-35.42
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076486	0	38	-1.0	-41.25	337.59	3.85	-37.40
CC(C)[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008076487	0	39	-1.0	-44.11	331.67	1.36	-42.75
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076488	0	35	-1.0	-42.00	316.67	3.38	-38.62
CC(C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008076489	0	35	-1.0	-39.42	294.27	3.74	-35.68
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300008076490	0	37	-1.0	-42.81	324.41	4.25	-38.56
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076491	0	37	-1.0	-39.30	324.68	5.45	-33.85
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076492	0	37	-1.0	-40.32	319.99	5.36	-34.96
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300008076493	0	37	-1.0	-41.24	328.06	5.12	-36.12
CC(C)[C@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300008076494	0	43	-1.0	-41.87	345.89	0.53	-41.34
CCOC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076495	0	38	-1.0	-45.62	320.23	3.73	-41.89
COCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=N1	REAL300008076496	0	38	-1.0	-45.43	327.86	1.15	-44.28
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008076497	0	38	-1.0	-46.04	335.99	4.16	-41.88
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1C	REAL300008076498	0	58	-1.0	-45.23	452.36	7.93	-37.30
CC(C)[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300008076499	0	45	-1.0	-44.46	389.83	1.97	-42.49
CC(C)[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008076500	0	39	-1.0	-43.35	345.69	5.74	-37.61
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008076501	0	36	-1.0	-50.19	310.05	3.89	-46.30
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008076502	0	34	-1.0	-41.52	314.47	4.87	-36.65
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008076503	0	34	-1.0	-43.79	309.96	4.82	-38.97
CC(C)[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008076504	0	38	-1.0	-60.24	333.96	1.41	-58.83
CC1=CC(Br)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076505	0	34	-1.0	-40.44	308.44	4.74	-35.70
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076506	0	34	-1.0	-41.36	304.79	5.00	-36.36
COCC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076507	0	38	-1.0	-43.67	311.38	3.54	-40.13
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300008076508	0	35	-1.0	-40.69	319.28	3.51	-37.18
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300008076509	0	39	-1.0	-41.24	324.34	3.45	-37.79
CC(C)[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008076510	0	34	-1.0	-47.07	317.60	2.69	-44.38
CC(C)[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008076511	0	34	-1.0	-43.04	309.55	2.50	-40.54
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008076512	0	42	-1.0	-44.48	346.79	4.81	-39.67
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008076513	0	34	-1.0	-46.34	312.37	2.68	-43.66
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076514	0	42	-1.0	-41.78	323.56	1.61	-40.17
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1I	REAL300008076515	0	34	-1.0	-40.64	311.23	5.09	-35.55
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076516	0	43	-1.0	-52.85	377.32	2.83	-50.02
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076517	0	48	-1.0	-48.43	402.67	3.17	-45.26
CSC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076518	0	35	-1.0	-45.44	303.93	4.57	-40.87
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076519	0	48	-1.0	-50.05	414.53	2.13	-47.92
CC(C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008076520	0	39	-1.0	-48.16	352.61	0.40	-47.76
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300008076521	0	45	-1.0	-49.49	404.18	1.14	-48.35
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(OC)=C1	REAL300008076522	0	46	-1.0	-45.45	377.63	1.09	-44.36
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300008076523	0	45	-1.0	-46.12	385.71	1.58	-44.54
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076524	0	45	-1.0	-48.80	388.02	1.30	-47.50
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008076525	0	42	-1.0	-50.02	342.27	3.91	-46.11
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1F	REAL300008076526	0	45	-1.0	-46.99	395.57	2.07	-44.92
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300008076527	0	46	-1.0	-47.24	370.49	4.36	-42.88
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1F	REAL300008076528	0	42	-1.0	-44.95	369.78	1.21	-43.74
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008076529	0	46	-1.0	-46.89	382.63	3.95	-42.94
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008076530	0	43	-1.0	-48.20	355.44	3.87	-44.33
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076531	0	40	-1.0	-56.65	355.82	2.05	-54.60
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076532	0	41	-1.0	-46.75	339.68	1.10	-45.65
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Br	REAL300008076533	0	38	-1.0	-44.76	345.41	4.51	-40.25
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300008076534	0	45	-1.0	-46.82	374.06	6.52	-40.30
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008076535	0	35	-1.0	-39.41	302.76	4.27	-35.14
CC(C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008076536	0	37	-1.0	-42.01	352.10	1.74	-40.27
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076537	0	38	-1.0	-46.10	342.15	4.14	-41.96
CC(C)[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008076538	0	45	-1.0	-44.88	382.35	5.49	-39.39
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076539	0	38	-1.0	-40.80	322.86	4.55	-36.25
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300008076540	0	43	-1.0	-45.17	356.61	5.00	-40.17
CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076541	0	38	-1.0	-47.50	331.30	-1.78	-49.28
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300008076542	0	37	-1.0	-48.47	324.08	5.20	-43.27
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008076543	0	34	-1.0	-43.62	324.51	5.45	-38.17
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300008076544	0	37	-1.0	-43.33	331.24	6.23	-37.10
CC(C)[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008076545	0	34	-1.0	-44.53	322.39	5.39	-39.14
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008076546	0	37	-1.0	-47.01	326.26	6.35	-40.66
CC(C)[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008076547	0	37	-1.0	-43.22	329.89	5.30	-37.92
CC(C)[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008076548	0	42	-1.0	-44.77	348.69	4.82	-39.95
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008076549	0	45	-1.0	-41.12	365.36	7.00	-34.12
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008076550	0	44	-1.0	-48.85	381.07	5.20	-43.65
CC(C)[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008076551	0	42	-1.0	-44.64	363.37	0.47	-44.17
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300008076552	0	40	-1.0	-44.43	335.14	6.37	-38.06
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1N(C)C	REAL300008076553	0	42	-1.0	-42.49	343.96	4.19	-38.30
CC(C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008076554	0	37	-1.0	-42.49	328.47	5.43	-37.06
CC(C)[C@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008076555	0	36	-1.0	-44.68	294.02	0.36	-44.32
CC(C)[C@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008076556	0	44	-1.0	-42.31	348.12	3.88	-38.43
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300008076557	0	38	-1.0	-42.34	326.28	4.05	-38.29
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008076558	0	40	-1.0	-50.24	347.82	1.64	-48.60
CSC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300008076559	0	35	-1.0	-42.85	321.10	4.94	-37.91
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076560	0	43	-1.0	-46.26	348.04	4.05	-42.21
CC(C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008076561	0	39	-1.0	-47.35	340.02	2.07	-45.28
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C12	REAL300008076562	0	38	-1.0	-45.33	332.85	1.33	-44.00
CC(C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008076563	0	42	-1.0	-45.00	365.86	3.39	-41.61
CC(C)[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300008076564	0	36	-1.0	-43.88	313.71	2.68	-41.20
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300008076565	0	37	-1.0	-44.14	340.84	6.50	-37.64
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(CC)=C1	REAL300008076566	0	49	-1.0	-41.52	366.84	8.00	-33.52
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076567	1	46	-1.0	-50.27	387.61	0.51	-49.76
CC(C)[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300008076568	0	38	-1.0	-57.35	313.89	4.15	-53.20
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008076569	0	37	-1.0	-39.67	337.96	1.64	-38.03
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008076570	0	40	-1.0	-45.12	337.33	7.26	-37.86
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1F	REAL300008076571	0	38	-1.0	-42.87	314.56	3.64	-39.23
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008076572	0	40	-1.0	-48.58	334.23	5.06	-43.52
CC(C)[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008076574	0	39	-1.0	-47.80	338.32	4.79	-43.01
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076575	0	38	-1.0	-42.14	340.67	3.74	-38.40
CC1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300008076576	0	37	-1.0	-47.54	322.70	4.98	-42.56
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008076578	0	31	-1.0	-40.32	306.21	3.80	-36.52
CC(C)[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008076579	0	44	-1.0	-43.15	356.19	6.77	-36.38
CC(C)[C@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008076580	0	42	-1.0	-44.91	354.11	4.30	-40.61
CC(C)[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008076581	0	40	-1.0	-48.64	328.60	0.65	-47.99
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008076582	0	34	-1.0	-46.79	309.82	4.07	-42.72
CC1=C(CCS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)SC=N1	REAL300008076583	0	36	-1.0	-41.90	312.15	2.63	-39.27
COC1=CC=C2C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)CCC2=C1	REAL300008076584	0	43	-1.0	-44.68	349.23	5.14	-39.54
CC(C)[C@H](NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300008076585	0	44	-1.0	-42.40	324.86	5.50	-36.90
CC(C)[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008076586	0	42	-1.0	-53.67	340.10	0.60	-53.07
CC(C)[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300008076587	0	40	-1.0	-45.26	318.88	4.62	-40.64
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C12	REAL300008076588	0	46	-1.0	-50.50	392.27	6.78	-43.72
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C12	REAL300008076589	0	50	-1.0	-45.53	407.40	4.25	-41.28
CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008076590	0	39	-1.0	-47.56	336.20	5.46	-42.10
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008076591	0	31	-1.0	-40.99	290.18	4.13	-36.86
CC(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008076592	0	33	-1.0	-40.30	301.87	4.28	-36.02
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300008076593	0	37	-1.0	-47.76	319.59	5.89	-41.87
CC(C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008076594	0	33	-1.0	-42.18	297.09	4.18	-38.00
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076595	0	36	-1.0	-41.54	314.15	5.14	-36.40
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008076596	0	33	-1.0	-49.77	286.28	4.99	-44.78
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076597	0	38	-1.0	-40.08	323.19	4.94	-35.14
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076598	0	38	-1.0	-43.00	322.98	3.84	-39.16
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1C	REAL300008076599	0	43	-1.0	-45.25	334.38	6.28	-38.97
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076600	0	46	-1.0	-43.56	357.45	6.68	-36.88
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008076601	0	34	-1.0	-39.29	308.08	4.54	-34.75
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008076602	0	34	-1.0	-43.81	289.13	4.90	-38.91
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008076603	0	37	-1.0	-46.32	324.88	4.29	-42.03
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300008076604	0	43	-1.0	-44.95	349.85	5.95	-39.00
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076605	0	48	-1.0	-49.65	410.42	3.33	-46.32
CC(C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008076606	0	42	-1.0	-49.84	369.97	1.58	-48.26
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Br	REAL300008076607	0	35	-1.0	-44.97	323.56	3.59	-41.38
CC(C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008076608	0	37	-1.0	-38.88	346.65	5.53	-33.35
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300008076609	0	34	-1.0	-40.07	305.36	4.64	-35.43
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2)=C1	REAL300008076610	0	45	-1.0	-44.58	378.21	7.05	-37.53
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008076611	0	35	-1.0	-39.84	317.62	3.41	-36.43
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1C	REAL300008076612	0	46	-1.0	-46.55	343.56	6.65	-39.90
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008076613	0	40	-1.0	-47.27	332.18	3.48	-43.79
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076614	0	47	-1.0	-43.96	360.45	5.87	-38.09
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300008076615	0	38	-1.0	-47.77	349.07	6.00	-41.77
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008076616	0	36	-1.0	-44.77	313.56	4.73	-40.04
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076617	0	35	-1.0	-40.35	302.04	4.11	-36.24
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076618	0	49	-1.0	-45.00	376.04	7.47	-37.53
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008076619	0	34	-1.0	-39.34	310.37	4.62	-34.72
CC(C)[C@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300008076620	0	41	-1.0	-46.06	336.36	6.11	-39.95
COC1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076621	0	39	-1.0	-44.11	308.43	2.88	-41.23
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1OC	REAL300008076622	0	39	-1.0	-47.31	332.37	2.81	-44.50
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300008076623	0	39	-1.0	-46.11	328.03	6.01	-40.10
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076624	0	46	-1.0	-41.76	372.81	7.05	-34.71
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1OCC	REAL300008076625	0	45	-1.0	-47.77	376.08	4.66	-43.11
CC(C)[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008076626	0	36	-1.0	-49.84	323.13	-1.54	-51.38
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1C	REAL300008076627	0	39	-1.0	-41.49	332.98	5.35	-36.14
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1C	REAL300008076628	0	39	-1.0	-41.72	331.63	5.72	-36.00
CC1=CC2=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C2N=C1	REAL300008076629	0	39	-1.0	-50.11	313.26	5.21	-44.90
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300008076630	0	37	-1.0	-48.10	311.14	4.24	-43.86
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076631	0	35	-1.0	-40.48	301.00	4.08	-36.40
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008076632	0	36	-1.0	-52.85	327.84	-1.42	-54.27
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008076633	0	43	-1.0	-49.67	377.88	1.36	-48.31
CC(C)[C@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300008076634	0	39	-1.0	-44.60	332.09	4.95	-39.65
CC(C)[C@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300008076635	0	40	-1.0	-43.70	325.59	4.85	-38.85
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300008076636	0	39	-1.0	-45.66	318.92	4.61	-41.05
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C	REAL300008076637	0	39	-1.0	-48.22	318.90	6.08	-42.14
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008076638	0	42	-1.0	-50.81	361.46	1.46	-49.35
CC(C)[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008076639	0	43	-1.0	-56.05	354.80	2.86	-53.19
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008076640	0	37	-1.0	-54.26	330.07	1.07	-53.19
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008076641	0	41	-1.0	-45.69	331.75	7.32	-38.37
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008076642	0	37	-1.0	-47.96	314.28	5.96	-42.00
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008076643	0	41	-1.0	-46.44	343.06	6.92	-39.52
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008076644	0	45	-1.0	-44.55	360.55	5.60	-38.95
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008076645	0	32	-1.0	-46.77	278.46	1.91	-44.86
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076646	0	35	-1.0	-40.45	297.48	4.02	-36.43
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076647	0	46	-1.0	-44.70	359.31	6.30	-38.40
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300008076648	0	34	-1.0	-40.85	301.35	4.56	-36.29
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076649	0	41	-1.0	-43.55	340.90	4.46	-39.09
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008076650	0	34	-1.0	-41.61	309.90	4.77	-36.84
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008076651	0	36	-1.0	-44.24	329.73	6.09	-38.15
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008076652	0	36	-1.0	-49.25	295.25	4.64	-44.61
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008076653	0	42	-1.0	-48.74	379.14	7.00	-41.74
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076654	0	37	-1.0	-39.43	307.20	4.25	-35.18
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1F	REAL300008076655	0	35	-1.0	-43.69	305.08	2.92	-40.77
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008076656	0	42	-1.0	-41.73	371.29	6.82	-34.91
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2)C=C1	REAL300008076657	0	46	-1.0	-45.09	387.07	5.65	-39.44
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300008076658	0	58	-1.0	-44.28	429.12	9.48	-34.80
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008076659	0	47	-1.0	-48.98	382.80	6.89	-42.09
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008076660	0	34	-1.0	-38.60	319.07	5.10	-33.50
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008076661	0	41	-1.0	-45.88	335.38	5.10	-40.78
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C1(C)NC(=O)NC1=O	REAL300008076662	0	47	-1.0	-44.92	393.42	1.25	-43.67
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076663	0	36	-1.0	-38.96	309.16	5.01	-33.95
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076664	0	36	-1.0	-42.80	303.58	4.85	-37.95
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076665	0	39	-1.0	-41.00	326.18	5.86	-35.14
CC(C)CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076666	0	43	-1.0	-41.87	350.56	6.23	-35.64
COCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076667	0	41	-1.0	-44.26	345.44	4.02	-40.24
COCCN(CCOC)S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076668	0	43	-1.0	-41.46	339.10	0.66	-40.80
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076669	0	34	-1.0	-40.60	302.38	4.97	-35.63
COC1=C(C)C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C	REAL300008076670	0	41	-1.0	-46.26	347.23	4.51	-41.75
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076671	0	47	-1.0	-42.92	380.03	5.86	-37.06
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008076672	0	45	-1.0	-44.23	368.29	5.84	-38.39
CC(C)COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076673	0	44	-1.0	-44.07	366.61	5.33	-38.74
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076674	0	41	-1.0	-43.85	341.73	4.53	-39.32
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300008076675	0	35	-1.0	-45.04	319.18	3.47	-41.57
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300008076676	0	35	-1.0	-45.01	324.15	3.64	-41.37
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C	REAL300008076677	0	38	-1.0	-45.37	318.43	3.55	-41.82
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300008076678	0	44	-1.0	-43.14	358.69	5.13	-38.01
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300008076679	0	38	-1.0	-43.36	314.65	3.77	-39.59
COCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076680	0	42	-1.0	-44.67	353.09	3.03	-41.64
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076681	0	34	-1.0	-39.81	302.81	4.97	-34.84
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1C	REAL300008076682	0	39	-1.0	-47.86	317.02	6.33	-41.53
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076683	0	40	-1.0	-53.23	341.50	1.87	-51.36
CC(C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300008076684	0	43	-1.0	-48.98	377.90	1.36	-47.62
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076685	0	39	-1.0	-47.39	345.96	-0.29	-47.68
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076686	0	39	-1.0	-48.77	327.71	2.34	-46.43
CC(C)[C@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300008076687	0	34	-1.0	-45.83	306.22	4.85	-40.98
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1F	REAL300008076688	0	35	-1.0	-41.51	301.61	2.83	-38.68
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008076689	0	41	-1.0	-46.00	343.56	6.96	-39.04
CC(C)[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008076690	0	34	-1.0	-39.51	324.64	5.21	-34.30
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)S2)=CS1	REAL300008076691	0	37	-1.0	-46.70	348.33	4.07	-42.63
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300008076692	0	51	-1.0	-43.99	403.47	7.13	-36.86
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076693	0	39	-1.0	-49.45	316.84	5.30	-44.15
CNC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CN1C	REAL300008076694	0	39	-1.0	-47.59	337.83	1.26	-46.33
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300008076695	0	41	-1.0	-44.79	329.62	4.47	-40.32
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008076696	0	42	-1.0	-48.53	357.87	7.73	-40.80
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C	REAL300008076697	0	41	-1.0	-43.84	335.60	4.49	-39.35
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300008076698	0	39	-1.0	-47.70	314.34	4.69	-43.01
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300008076699	0	36	-1.0	-47.90	309.62	4.18	-43.72
CC(C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300008076700	0	44	-1.0	-52.72	368.73	7.34	-45.38
CCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300008076701	0	36	-1.0	-54.14	319.01	4.38	-49.76
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008076702	0	38	-1.0	-41.87	342.55	4.30	-37.57
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008076703	0	45	-1.0	-45.51	384.90	6.92	-38.59
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076704	0	39	-1.0	-47.32	332.44	4.81	-42.51
CC(C)[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008076705	0	41	-1.0	-48.27	354.85	5.08	-43.19
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076706	0	53	-1.0	-41.87	405.33	6.44	-35.43
CC(C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008076707	0	39	-1.0	-49.67	341.68	0.24	-49.43
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008076708	0	46	-1.0	-53.98	395.58	2.74	-51.24
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008076709	0	44	-1.0	-45.96	353.85	5.96	-40.00
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076710	0	41	-1.0	-43.75	319.93	4.73	-39.02
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008076711	0	36	-1.0	-51.13	317.68	3.71	-47.42
CC(C)[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008076712	0	38	-1.0	-46.49	329.92	4.66	-41.83
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076713	0	45	-1.0	-45.55	375.72	3.97	-41.58
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076714	0	47	-1.0	-43.70	384.73	6.09	-37.61
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300008076715	0	41	-1.0	-43.14	319.69	5.99	-37.15
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008076716	0	37	-1.0	-45.65	315.24	5.31	-40.34
CC(C)[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300008076717	0	35	-1.0	-40.47	328.02	5.08	-35.39
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008076718	0	39	-1.0	-53.66	331.09	4.73	-48.93
CC(C)[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300008076719	0	37	-1.0	-42.97	310.37	-0.15	-43.12
CC(C)[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008076720	0	36	-1.0	-44.27	321.91	3.80	-40.47
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300008076721	0	41	-1.0	-43.34	332.18	4.57	-38.77
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076722	0	39	-1.0	-49.90	345.96	-0.29	-50.19
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008076723	0	35	-1.0	-43.24	288.05	3.66	-39.58
CSC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076724	0	35	-1.0	-43.79	309.09	4.53	-39.26
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008076725	0	37	-1.0	-43.05	329.92	5.19	-37.86
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076726	0	42	-1.0	-40.62	340.17	5.37	-35.25
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008076727	0	37	-1.0	-47.76	315.43	3.26	-44.50
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300008076728	0	36	-1.0	-44.63	302.27	3.85	-40.78
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300008076729	0	43	-1.0	-45.01	359.27	5.43	-39.58
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300008076730	0	37	-1.0	-40.42	320.29	4.98	-35.44
CC(C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300008076731	0	37	-1.0	-47.24	346.47	4.35	-42.89
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008076732	0	40	-1.0	-45.36	330.72	5.06	-40.30
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C12	REAL300008076733	0	39	-1.0	-46.33	335.20	3.24	-43.09
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076734	0	38	-1.0	-46.37	340.87	4.17	-42.20
COCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076735	0	38	-1.0	-42.69	324.42	3.26	-39.43
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008076736	0	42	-1.0	-49.83	350.06	4.83	-45.00
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008076737	0	34	-1.0	-44.08	306.75	4.71	-39.37
CC(C)[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300008076738	0	43	-1.0	-58.08	365.96	2.04	-56.04
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008076739	0	38	-1.0	-40.30	337.29	3.99	-36.31
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Br	REAL300008076740	0	39	-1.0	-41.34	328.75	3.56	-37.78
CC(C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300008076741	0	39	-1.0	-49.09	328.93	4.18	-44.91
CC(C)[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008076742	0	34	-1.0	-46.83	323.02	5.17	-41.66
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008076743	0	39	-1.0	-43.53	326.27	4.13	-39.40
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076744	0	43	-1.0	-42.31	326.01	6.72	-35.59
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076745	0	43	-1.0	-42.40	353.56	2.45	-39.95
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300008076746	0	42	-1.0	-44.93	374.28	6.86	-38.07
CC(C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008076747	0	37	-1.0	-46.48	335.78	4.20	-42.28
CC(C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300008076748	0	37	-1.0	-45.69	354.76	4.81	-40.88
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2)=CO1	REAL300008076749	0	40	-1.0	-48.55	345.26	2.59	-45.96
CC(C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008076750	0	34	-1.0	-46.40	303.80	2.37	-44.03
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300008076751	0	34	-1.0	-43.02	295.40	2.20	-40.82
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300008076752	0	39	-1.0	-43.89	322.91	4.17	-39.72
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=N2)C=C1	REAL300008076753	0	41	-1.0	-48.47	355.55	5.40	-43.07
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008076754	0	39	-1.0	-44.76	347.41	4.73	-40.03
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300008076755	0	36	-1.0	-40.75	317.86	4.79	-35.96
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=N1	REAL300008076756	0	42	-1.0	-52.10	353.61	4.22	-47.88
CC(C)[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008076757	0	33	-1.0	-44.90	297.87	2.95	-41.95
CC(C)[C@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300008076758	0	39	-1.0	-44.40	320.84	3.95	-40.45
CC1=CC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2C=C1	REAL300008076759	0	40	-1.0	-45.39	336.64	6.48	-38.91
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300008076760	0	39	-1.0	-46.29	319.98	3.89	-42.40
CC(C)[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300008076761	0	36	-1.0	-47.92	319.34	3.62	-44.30
CC(C)[C@H](NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008076762	0	37	-1.0	-41.70	329.43	5.50	-36.20
CC(C)[C@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008076763	0	43	-1.0	-46.09	343.58	4.09	-42.00
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008076764	0	33	-1.0	-40.11	304.07	2.79	-37.32
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076765	0	39	-1.0	-50.19	324.81	4.15	-46.04
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076766	0	39	-1.0	-42.81	325.05	5.52	-37.29
CC1=CC=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300008076767	0	39	-1.0	-50.00	327.33	6.85	-43.15
CC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008076768	0	39	-1.0	-42.84	330.87	5.68	-37.16
COC1=CC=C(CCS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076769	0	41	-1.0	-44.13	346.97	4.37	-39.76
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008076770	0	40	-1.0	-45.10	346.63	5.26	-39.84
COC1=CC(OC)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076771	0	39	-1.0	-46.18	328.35	2.15	-44.03
CC1=CC2=C(C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)OCO2	REAL300008076772	0	37	-1.0	-41.30	302.58	2.90	-38.40
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1Cl	REAL300008076773	0	35	-1.0	-40.74	314.89	3.40	-37.34
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300008076774	0	37	-1.0	-52.39	317.15	4.86	-47.53
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300008076775	0	39	-1.0	-52.50	320.93	5.37	-47.13
CC1=NC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2O1	REAL300008076776	0	36	-1.0	-46.05	309.53	1.12	-44.93
CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1CC	REAL300008076777	0	43	-1.0	-43.91	343.02	6.02	-37.89
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076778	0	39	-1.0	-39.17	322.98	5.76	-33.41
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076779	0	41	-1.0	-47.23	330.86	5.30	-41.93
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300008076780	0	32	-1.0	-41.62	296.11	1.48	-40.14
CC(C)[C@H](NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300008076781	0	38	-1.0	-45.52	314.27	3.33	-42.19
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300008076782	0	37	-1.0	-48.46	312.82	5.37	-43.09
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300008076783	0	34	-1.0	-43.85	277.50	2.05	-41.80
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC(C)=C1F	REAL300008076784	0	37	-1.0	-41.53	315.13	4.87	-36.66
CC(C)[C@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300008076785	0	38	-1.0	-46.68	325.35	3.31	-43.37
CC(C)[C@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300008076786	0	44	-1.0	-42.53	372.99	5.13	-37.40
CC(C)[C@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300008076787	0	35	-1.0	-52.78	310.45	3.68	-49.10
CC(C)[C@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300008076788	0	33	-1.0	-47.14	286.05	3.38	-43.76
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008076789	0	34	-1.0	-40.96	312.79	4.81	-36.15
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1Cl	REAL300008076790	0	34	-1.0	-40.04	301.33	4.56	-35.48
CC(C)[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300008076791	0	37	-1.0	-50.33	317.47	4.53	-45.80
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2)=N1	REAL300008076792	0	40	-1.0	-44.90	352.11	4.93	-39.97
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300008076793	0	39	-1.0	-48.13	320.00	4.70	-43.43
CC(C)[C@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300008076794	0	38	-1.0	-48.79	338.75	1.47	-47.32
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300008076795	0	40	-1.0	-50.39	315.27	3.78	-46.61
CC(C)[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300008076796	0	34	-1.0	-43.05	315.84	4.80	-38.25
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076797	0	56	-1.0	-43.70	449.23	8.44	-35.26
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076798	0	41	-1.0	-40.05	339.44	5.73	-34.32
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076799	0	44	-1.0	-44.93	363.68	5.28	-39.65
COC(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C1CCCC1	REAL300008076800	0	44	-1.0	-40.34	343.96	3.82	-36.52
COC(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C1CCCCC1	REAL300008076801	0	47	-1.0	-40.93	359.51	4.68	-36.25
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300008076802	0	45	-1.0	-47.41	386.35	6.86	-40.55
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008076803	0	50	-1.0	-43.28	400.83	6.59	-36.69
CCC1=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CN1CC1CC1	REAL300008076804	0	44	-1.0	-51.46	359.04	6.07	-45.39
CC(C)[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300008076805	0	34	-1.0	-42.73	305.62	3.00	-39.73
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300008076806	0	39	-1.0	-44.88	334.53	6.01	-38.87
CC(C)[C@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300008076807	0	38	-1.0	-43.33	308.92	3.23	-40.10
CC(C)[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300008076808	0	44	-1.0	-45.17	374.61	5.93	-39.24
CC(C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300008076809	0	34	-1.0	-42.77	315.24	2.23	-40.54
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008076810	0	42	-1.0	-47.23	369.51	7.61	-39.62
CC(C)[C@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300008076811	0	41	-1.0	-50.54	334.95	6.93	-43.61
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC(C)=C1OCC1=CC=CC=C1	REAL300008076812	0	51	-1.0	-46.27	423.45	8.43	-37.84
CCC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300008076813	0	44	-1.0	-43.77	357.07	5.24	-38.53
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008076814	0	37	-1.0	-39.09	342.84	5.49	-33.60
CC(C)[C@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008076815	1	33	-1.0	-49.31	287.46	2.75	-46.56
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300008076816	0	40	-1.0	-48.13	320.02	6.62	-41.51
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=N1	REAL300008076817	0	40	-1.0	-44.78	342.81	2.17	-42.61
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076818	0	35	-1.0	-46.17	302.20	3.54	-42.63
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008076819	0	47	-1.0	-43.59	379.33	5.79	-37.80
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300008076820	0	43	-1.0	-42.70	347.58	5.82	-36.88
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008076821	0	50	-1.0	-43.49	397.83	8.09	-35.40
CC(C)[C@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300008076822	0	41	-1.0	-46.81	330.95	3.60	-43.21
CC(C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300008076823	0	43	-1.0	-41.18	335.54	3.69	-37.49
CC(C)[C@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300008076824	0	41	-1.0	-46.13	333.29	3.82	-42.31
CC(C)[C@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300008076825	0	34	-1.0	-41.55	298.57	2.32	-39.23
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076826	0	38	-1.0	-46.48	325.77	3.63	-42.85
C=CCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076827	0	41	-1.0	-43.77	346.08	6.29	-37.48
CCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008076828	0	53	-1.0	-42.67	422.32	7.37	-35.30
CC(C)[C@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008076829	0	35	-1.0	-43.69	322.28	5.32	-38.37
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300008076830	0	53	-1.0	-43.91	413.38	7.26	-36.65
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1CC	REAL300008076831	0	47	-1.0	-45.09	383.43	6.02	-39.07
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076832	0	37	-1.0	-39.10	308.41	5.47	-33.63
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076833	0	37	-1.0	-39.64	330.26	5.46	-34.18
CC(C)[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008076834	0	35	-1.0	-45.58	315.02	5.13	-40.45
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076835	0	47	-1.0	-48.55	382.26	6.31	-42.24
CC(C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300008076836	0	36	-1.0	-48.78	304.81	4.03	-44.75
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C2)C=C1	REAL300008076837	0	46	-1.0	-44.50	402.52	7.47	-37.03
CC(C)[C@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300008076838	0	38	-1.0	-48.18	318.77	3.20	-44.98
CC(C)[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300008076839	0	38	-1.0	-43.64	311.10	3.42	-40.22
CC(C)[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300008076840	0	41	-1.0	-44.34	335.76	4.03	-40.31
CC(C)[C@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300008076841	0	42	-1.0	-44.76	327.74	1.82	-42.94
CC(C)[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300008076842	0	37	-1.0	-46.35	334.94	4.45	-41.90
CC(C)[C@H](NS(=O)(=O)C1=CN=C2CCCCN21)C(=O)[O-]	REAL300008076843	0	38	-1.0	-55.42	312.22	3.36	-52.06
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008076844	0	56	-1.0	-44.97	443.34	8.12	-36.85
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C	REAL300008076845	0	47	-1.0	-44.14	370.97	5.64	-38.50
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076846	0	41	-1.0	-43.92	347.58	4.97	-38.95
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008076847	0	54	-1.0	-46.93	434.81	6.01	-40.92
CC(C)[C@H](NS(=O)(=O)C1=C2OC(C)CC2=CC=C1)C(=O)[O-]	REAL300008076848	0	39	-1.0	-49.30	329.66	4.19	-45.11
CC(C)[C@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008076849	0	39	-1.0	-43.70	336.78	3.21	-40.49
CC(C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300008076850	0	37	-1.0	-46.58	315.98	3.98	-42.60
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076851	0	36	-1.0	-56.80	315.40	3.20	-53.60
CC(C)[C@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300008076852	0	35	-1.0	-44.86	311.51	3.62	-41.24
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300008076853	0	34	-1.0	-47.95	312.48	5.04	-42.91
CC(C)[C@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300008076854	0	38	-1.0	-44.97	316.37	3.19	-41.78
CC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1F	REAL300008076855	0	40	-1.0	-41.45	317.68	5.70	-35.75
COC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1OC	REAL300008076856	0	39	-1.0	-48.96	325.10	3.33	-45.63
CC(C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300008076857	0	44	-1.0	-46.98	358.11	4.48	-42.50
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076858	0	43	-1.0	-48.95	347.96	4.12	-44.83
CCCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=N1	REAL300008076859	0	43	-1.0	-47.19	362.17	4.30	-42.89
CC(C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300008076860	0	38	-1.0	-47.73	329.53	3.47	-44.26
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300008076861	0	35	-1.0	-46.91	308.13	3.09	-43.82
CC(C)[C@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300008076862	0	36	-1.0	-56.15	299.29	1.88	-54.27
CC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Br	REAL300008076863	0	37	-1.0	-39.47	319.23	5.35	-34.12
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300008076864	0	37	-1.0	-41.26	341.52	4.74	-36.52
CC(C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300008076865	0	41	-1.0	-46.98	343.06	3.92	-43.06
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076866	0	49	-1.0	-44.21	378.14	7.38	-36.83
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300008076867	0	37	-1.0	-39.16	340.55	5.42	-33.74
CC(C)[C@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300008076868	0	41	-1.0	-46.97	342.86	4.16	-42.81
CC(C)[C@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300008076869	0	35	-1.0	-43.41	303.57	4.49	-38.92
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300008076870	0	42	-1.0	-39.21	348.70	6.21	-33.00
COC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300008076871	0	40	-1.0	-56.54	336.15	4.83	-51.71
CC(C)[C@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300008076872	0	38	-1.0	-47.65	317.94	3.16	-44.49
CC(C)[C@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300008076873	0	40	-1.0	-44.17	312.37	3.40	-40.77
CC(C)[C@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300008076874	0	40	-1.0	-46.52	338.14	3.33	-43.19
CC(C)[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300008076875	0	38	-1.0	-44.76	317.69	2.56	-42.20
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300008076876	0	36	-1.0	-39.80	316.65	3.27	-36.53
CC(C)[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008076877	0	34	-1.0	-37.48	314.68	4.62	-32.86
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076878	0	42	-1.0	-49.18	358.23	5.64	-43.54
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300008076879	0	42	-1.0	-46.84	341.82	6.70	-40.14
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300008076880	0	37	-1.0	-42.88	330.97	4.52	-38.36
CC(C)[C@H](NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300008076881	0	38	-1.0	-47.62	320.50	1.84	-45.78
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076882	0	41	-1.0	-41.55	367.83	4.38	-37.17
CC(C)[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300008076883	0	31	-1.0	-40.56	286.77	3.87	-36.69
CC(C)[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300008076884	0	41	-1.0	-44.08	330.32	4.05	-40.03
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076885	0	40	-1.0	-42.21	323.23	3.26	-38.95
CC(C)[C@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300008076886	0	45	-1.0	-42.18	334.22	4.37	-37.81
CC(C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300008076887	0	45	-1.0	-46.57	361.59	2.74	-43.83
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300008076888	0	37	-1.0	-43.04	322.56	5.07	-37.97
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300008076889	0	35	-1.0	-44.32	305.14	3.03	-41.29
CC(C)[C@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300008076890	0	46	-1.0	-41.20	367.24	6.28	-34.92
CC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300008076891	0	42	-1.0	-51.92	332.84	5.55	-46.37
CC(C)[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300008076892	0	39	-1.0	-38.42	323.74	3.66	-34.76
CCOCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076893	0	41	-1.0	-49.02	345.80	4.20	-44.82
CC(C)[C@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300008076894	0	34	-1.0	-44.18	328.64	5.58	-38.60
CC(C)[C@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300008076895	0	41	-1.0	-47.36	351.29	4.81	-42.55
CC(C)[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300008076896	0	44	-1.0	-45.41	355.75	4.50	-40.91
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008076897	0	42	-1.0	-44.49	356.80	6.39	-38.10
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300008076898	0	37	-1.0	-41.83	325.80	5.28	-36.55
CC(C)[C@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300008076899	0	34	-1.0	-44.18	328.64	5.58	-38.60
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008076900	0	40	-1.0	-46.37	321.37	6.19	-40.18
CC(C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008076901	0	41	-1.0	-50.56	344.16	4.97	-45.59
CC(C)[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300008076902	0	35	-1.0	-44.95	307.18	4.76	-40.19
CC(C)[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008076903	0	35	-1.0	-43.63	326.84	5.41	-38.22
CC(C)[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008076904	0	35	-1.0	-44.65	326.84	5.42	-39.23
CC(C)[C@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300008076905	0	36	-1.0	-42.30	310.64	-2.58	-44.88
CC(C)[C@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300008076906	0	33	-1.0	-46.91	304.59	3.02	-43.89
CC1=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300008076907	0	40	-1.0	-51.44	338.33	3.79	-47.65
CC(C)[C@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300008076908	0	48	-1.0	-42.90	344.44	6.36	-36.54
CC(C)[C@H](NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300008076909	0	39	-1.0	-46.84	306.44	3.94	-42.90
CC(C)[C@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300008076910	0	39	-1.0	-54.68	337.92	0.29	-54.39
CC(C)[C@H](NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300008076911	0	44	-1.0	-43.11	346.48	3.92	-39.19
CC(C)[C@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008076912	0	35	-1.0	-50.22	320.19	2.60	-47.62
CC(C)[C@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300008076913	0	41	-1.0	-42.52	355.51	6.48	-36.04
CC(C)[C@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300008076914	0	40	-1.0	-42.89	319.89	0.94	-41.95
CC(C)[C@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300008076915	0	44	-1.0	-40.14	334.41	5.48	-34.66
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300008076916	0	35	-1.0	-43.41	309.70	4.79	-38.62
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300008076917	0	53	-1.0	-45.57	395.58	7.64	-37.93
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076918	0	42	-1.0	-42.87	339.23	4.36	-38.51
COC1=CSC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1OC	REAL300008076919	0	36	-1.0	-56.43	314.86	1.21	-55.22
CC(C)[C@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300008076920	0	43	-1.0	-43.83	334.09	4.09	-39.74
CC(C)[C@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300008076921	0	42	-1.0	-41.31	347.72	5.41	-35.90
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300008076922	0	35	-1.0	-45.41	316.64	4.26	-41.15
COC1=CC(F)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300008076923	0	35	-1.0	-43.48	303.43	3.03	-40.45
CC(C)[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300008076924	0	35	-1.0	-46.49	319.13	3.26	-43.23
CC(C)[C@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300008076925	0	37	-1.0	-48.75	312.28	3.51	-45.24
CC(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300008076926	0	38	-1.0	-48.21	323.07	5.31	-42.90
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300008076927	0	40	-1.0	-45.12	348.23	4.03	-41.09
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076928	0	44	-1.0	-49.79	366.31	5.99	-43.80
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008076929	0	42	-1.0	-48.98	359.30	6.42	-42.56
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300008076930	0	37	-1.0	-46.91	305.39	5.45	-41.46
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300008076931	0	32	-1.0	-43.41	296.08	2.35	-41.06
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076932	0	42	-1.0	-45.95	352.21	5.12	-40.83
CCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300008076933	0	41	-1.0	-48.16	351.06	4.33	-43.83
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300008076934	0	35	-1.0	-44.96	301.82	2.67	-42.29
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300008076935	0	37	-1.0	-44.27	336.28	6.40	-37.87
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008076936	0	41	-1.0	-44.96	359.74	7.44	-37.52
CC(C)[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300008076937	0	30	-1.0	-40.99	298.95	1.59	-39.40
CCC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1Br	REAL300008076938	0	37	-1.0	-40.43	324.91	5.33	-35.10
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076939	0	44	-1.0	-44.23	356.12	4.66	-39.57
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076940	0	45	-1.0	-43.28	355.56	4.08	-39.20
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300008076941	0	37	-1.0	-44.10	324.80	6.29	-37.81
CC(C)[C@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300008076942	0	39	-1.0	-46.15	318.21	1.15	-45.00
CC(C)[C@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300008076943	0	37	-1.0	-44.02	334.04	3.37	-40.65
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300008076944	0	46	-1.0	-44.64	370.01	3.91	-40.73
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076945	0	34	-1.0	-41.21	293.60	1.42	-39.79
COC1=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1C	REAL300008076946	0	37	-1.0	-44.08	320.95	1.03	-43.05
CC(C)CN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=N1	REAL300008076947	0	40	-1.0	-44.68	336.76	3.65	-41.03
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076948	0	40	-1.0	-46.56	333.51	3.19	-43.37
CC(C)[C@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300008076949	0	41	-1.0	-47.58	332.24	1.44	-46.14
COCC1=CC(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=NO1	REAL300008076950	0	37	-1.0	-45.18	323.76	1.43	-43.75
CC(C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008076951	0	36	-1.0	-40.57	317.36	5.57	-35.00
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300008076952	0	42	-1.0	-47.28	344.01	4.00	-43.28
CC(C)[C@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300008076953	0	38	-1.0	-44.85	317.67	3.44	-41.41
CC(C)[C@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300008076954	0	38	-1.0	-45.71	322.31	4.56	-41.15
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300008076955	0	33	-1.0	-45.55	297.24	3.22	-42.33
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=NN1C(C)C	REAL300008076956	0	40	-1.0	-45.49	332.42	3.27	-42.22
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300008076957	0	45	-1.0	-43.53	378.16	7.11	-36.42
CC(C)[C@H](NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008076958	0	36	-1.0	-54.16	303.82	4.65	-49.51
CC(C)[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300008076959	0	34	-1.0	-37.86	299.03	3.25	-34.61
CC(C)[C@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300008076960	0	39	-1.0	-43.27	325.69	-0.69	-43.96
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C(F)F)=C1	REAL300008076961	0	38	-1.0	-44.97	319.01	4.09	-40.88
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076962	0	37	-1.0	-39.96	316.93	1.58	-38.38
CC(C)[C@H](NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300008076963	0	36	-1.0	-47.46	310.53	4.06	-43.40
CCOC1=CC=CN=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076964	0	37	-1.0	-50.75	306.91	3.55	-47.20
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300008076965	0	39	-1.0	-50.34	309.73	5.04	-45.30
CC(C)[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300008076966	0	33	-1.0	-46.77	292.00	3.42	-43.35
CC(C)[C@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300008076967	0	38	-1.0	-44.83	325.36	3.93	-40.90
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300008076968	0	44	-1.0	-45.64	347.48	5.63	-40.01
COC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCCCCC1	REAL300008076969	0	45	-1.0	-47.46	348.80	5.00	-42.46
COC1(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCCCCC1	REAL300008076970	0	45	-1.0	-52.58	348.81	4.98	-47.60
COC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)CCCCCC1	REAL300008076971	0	48	-1.0	-53.11	364.43	6.01	-47.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(OC)CCCCCC1	REAL300008076972	0	49	-1.0	-55.10	370.11	4.94	-50.16
COC1(CNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CCCCCC1	REAL300008076973	0	48	-1.0	-49.34	365.85	5.66	-43.68
COC1(CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)CCCCCC1	REAL300008076974	0	42	-1.0	-47.21	333.17	4.89	-42.32
COC1(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCCCCC1	REAL300008076975	0	45	-1.0	-52.58	348.81	4.98	-47.60
COC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCCCCC1	REAL300008076976	0	45	-1.0	-47.46	348.80	5.00	-42.46
COC1(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])CCCCCC1	REAL300008076977	0	45	-1.0	-51.45	338.22	5.97	-45.48
COC1(CNS(=O)(=O)C2=CNC(C(=O)[O-])=C2)CCCCCC1	REAL300008076978	0	43	-1.0	-48.58	338.24	2.84	-45.74
COC1(CNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)CCCCCC1	REAL300008076979	0	45	-1.0	-48.09	354.27	3.24	-44.85
COC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)CCCCCC1	REAL300008076980	0	42	-1.0	-45.52	341.94	4.23	-41.29
COC1(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])CCCCCC1	REAL300008076981	0	42	-1.0	-51.99	324.92	2.02	-49.97
COC1(CNS(=O)(=O)N2CCCC(C(=O)[O-])C2)CCCCCC1	REAL300008076982	0	50	-1.0	-49.39	367.78	4.29	-45.10
COC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCCCCC1	REAL300008076983	0	50	-1.0	-51.45	368.27	4.32	-47.13
COC1(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])CCCCCC1	REAL300008076984	0	45	-1.0	-51.45	338.22	5.97	-45.48
COC1(CNS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])CCCCCC1	REAL300008076985	0	45	-1.0	-45.00	354.93	6.49	-38.51
COC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)CCCCCC1	REAL300008076986	0	42	-1.0	-46.93	334.48	3.48	-43.45
COC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)CCCCCC1	REAL300008076987	0	45	-1.0	-48.37	351.81	3.82	-44.55
COC1(CNS(=O)(=O)CCCC(=O)[O-])CCCCCC1	REAL300008076988	0	44	-1.0	-51.68	334.81	3.61	-48.07
COC1(CNS(=O)(=O)N2CCCC2C(=O)[O-])CCCCCC1	REAL300008076989	0	47	-1.0	-45.42	346.73	3.90	-41.52
COC1(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCCCCC1	REAL300008076990	0	48	-1.0	-57.87	372.57	5.71	-52.16
COC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCCCCC1	REAL300008076991	0	50	-1.0	-51.45	368.27	4.32	-47.13
COC1(CNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)CCCCCC1	REAL300008076992	0	48	-1.0	-58.79	372.57	5.70	-53.09
COC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)CCCCCC1	REAL300008076993	0	42	-1.0	-46.93	334.48	3.48	-43.45
COC1(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCCCCC1	REAL300008076994	0	49	-1.0	-47.50	379.89	5.28	-42.22
COC1(CNS(=O)(=O)CCCC(=O)[O-])CCCCCC1	REAL300008076995	0	44	-1.0	-51.68	334.81	3.61	-48.07
COC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)CCCCCC1	REAL300008076996	0	42	-1.0	-48.80	342.00	4.01	-44.79
COC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)CCCCCC1	REAL300008076997	0	51	-1.0	-54.52	382.47	6.49	-48.03
COC1(CNS(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])CCCCCC1	REAL300008076998	0	48	-1.0	-54.47	366.32	6.16	-48.31
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(OC)CCCCCC2)=C1	REAL300008076999	0	52	-1.0	-53.59	404.80	4.82	-48.77
COC1(CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)CCCCCC1	REAL300008077000	0	42	-1.0	-48.48	341.38	4.13	-44.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300008084457	0	35	-1.0	-41.45	292.46	4.26	-37.19
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300008084458	0	36	-1.0	-39.89	330.53	6.37	-33.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300008084459	0	42	-1.0	-46.40	345.86	4.75	-41.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300008084460	0	42	-1.0	-60.07	360.04	1.99	-58.08
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008084461	0	49	-1.0	-42.64	353.02	6.26	-36.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300008084462	0	39	-1.0	-51.28	316.33	5.86	-45.42
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008084463	0	39	-1.0	-63.85	331.89	6.99	-56.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008084464	0	42	-1.0	-50.93	340.81	3.15	-47.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300008084465	0	45	-1.0	-43.47	375.70	5.38	-38.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300008084466	0	45	-1.0	-41.67	368.62	5.54	-36.13
CCN(C(C)C(=O)[O-])S(=O)(=O)CCOCCOCCOC	REAL300008084467	0	45	-1.0	-55.88	370.60	1.76	-54.12
CCN(C(C)C(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300008084468	0	47	-1.0	-60.28	362.86	6.86	-53.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300008084469	0	46	-1.0	-42.16	375.57	5.61	-36.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300008084470	0	38	-1.0	-54.46	328.11	5.61	-48.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008084471	0	39	-1.0	-51.31	321.70	2.35	-48.96
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300008084472	0	35	-1.0	-44.01	315.91	4.43	-39.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008084473	0	35	-1.0	-38.85	303.72	4.58	-34.27
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300008084474	0	37	-1.0	-48.57	318.36	5.23	-43.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300008084475	0	37	-1.0	-49.79	309.52	6.17	-43.62
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300008084476	0	37	-1.0	-39.39	308.51	5.92	-33.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300008084477	0	37	-1.0	-53.55	322.16	6.54	-47.01
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300008084478	0	43	-1.0	-42.27	339.01	1.58	-40.69
CCOC1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300008084479	0	38	-1.0	-57.15	311.98	5.57	-51.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300008084480	0	38	-1.0	-58.36	327.05	2.36	-56.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008084481	0	38	-1.0	-56.02	326.67	4.98	-51.04
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1C	REAL300008084482	0	58	-1.0	-44.69	453.25	9.22	-35.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1	REAL300008084483	0	45	-1.0	-42.62	376.08	2.43	-40.19
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008084484	0	39	-1.0	-57.83	336.12	6.68	-51.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008084485	0	36	-1.0	-52.64	304.03	4.85	-47.79
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008084486	0	34	-1.0	-60.35	306.59	6.81	-53.54
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300008084487	0	34	-1.0	-54.97	302.66	5.74	-49.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008084488	0	38	-1.0	-68.87	324.49	2.32	-66.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300008084489	0	34	-1.0	-42.46	307.82	5.79	-36.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300008084490	0	34	-1.0	-43.07	287.99	5.46	-37.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300008084491	0	38	-1.0	-50.14	302.19	4.26	-45.88
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300008084492	0	35	-1.0	-42.64	315.00	4.49	-38.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300008084493	0	39	-1.0	-41.66	332.98	4.11	-37.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008084494	0	34	-1.0	-54.88	307.62	3.67	-51.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008084495	0	34	-1.0	-61.35	305.22	3.64	-57.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008084496	0	42	-1.0	-51.00	341.13	5.86	-45.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008084497	0	34	-1.0	-41.88	297.02	4.03	-37.85
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300008084498	0	42	-1.0	-61.08	334.32	3.18	-57.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(I)=C1	REAL300008084499	0	34	-1.0	-44.69	311.27	6.22	-38.47
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300008084500	0	43	-1.0	-55.59	366.50	3.70	-51.89
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300008084501	0	48	-1.0	-54.39	402.69	4.29	-50.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300008084502	0	35	-1.0	-54.15	292.19	5.38	-48.77
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300008084503	0	48	-1.0	-61.93	405.75	2.99	-58.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008084504	0	39	-1.0	-43.60	344.63	1.35	-42.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1	REAL300008084505	0	45	-1.0	-63.20	396.88	3.05	-60.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC	REAL300008084506	0	46	-1.0	-55.00	378.48	2.37	-52.63
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(F)=C1	REAL300008084507	0	45	-1.0	-46.43	377.72	3.14	-43.29
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300008084508	0	45	-1.0	-53.43	381.98	2.28	-51.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300008084509	0	42	-1.0	-72.81	337.55	4.08	-68.73
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1F	REAL300008084510	0	45	-1.0	-43.00	387.59	3.03	-39.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300008084511	0	46	-1.0	-58.05	356.19	5.42	-52.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300008084512	0	42	-1.0	-42.83	366.10	2.24	-40.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008084513	0	46	-1.0	-48.04	379.68	5.02	-43.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008084514	0	43	-1.0	-61.59	350.35	4.15	-57.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300008084515	0	40	-1.0	-52.24	347.25	2.94	-49.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300008084516	0	41	-1.0	-49.01	346.76	1.71	-47.30
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1Br	REAL300008084517	0	38	-1.0	-42.83	336.85	5.42	-37.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300008084518	0	45	-1.0	-53.93	371.01	7.54	-46.39
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008084519	0	35	-1.0	-38.96	314.03	5.02	-33.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300008084520	0	37	-1.0	-51.15	343.30	2.61	-48.54
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300008084521	0	38	-1.0	-61.46	336.36	5.46	-56.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008084522	0	45	-1.0	-50.54	375.89	6.44	-44.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300008084523	0	38	-1.0	-41.74	327.01	5.43	-36.31
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300008084524	0	43	-1.0	-52.17	354.38	6.15	-46.02
CCN(C(C)C(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300008084525	0	38	-1.0	-60.57	326.50	-0.75	-61.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300008084526	0	37	-1.0	-57.88	317.03	5.89	-51.99
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008084527	0	34	-1.0	-54.77	322.93	6.69	-48.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300008084528	0	37	-1.0	-41.47	323.37	7.29	-34.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008084529	0	34	-1.0	-46.34	311.18	6.19	-40.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008084530	0	37	-1.0	-47.70	309.83	6.99	-40.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008084531	0	37	-1.0	-53.74	323.85	6.28	-47.46
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008084532	0	42	-1.0	-45.26	346.02	5.86	-39.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008084533	0	45	-1.0	-41.46	369.27	7.65	-33.81
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008084534	0	44	-1.0	-56.62	368.84	5.95	-50.67
CCN(C(C)C(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008084535	0	42	-1.0	-60.00	362.13	1.50	-58.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300008084536	0	40	-1.0	-49.26	322.71	7.19	-42.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300008084537	0	42	-1.0	-51.39	337.45	5.13	-46.26
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008084538	0	37	-1.0	-55.64	325.84	6.48	-49.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008084539	0	36	-1.0	-52.17	295.30	1.98	-50.19
CCN(C(C)C(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300008084540	0	44	-1.0	-55.53	346.28	5.94	-49.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300008084541	0	38	-1.0	-39.76	317.28	4.69	-35.07
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008084542	0	40	-1.0	-73.67	346.49	3.73	-69.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300008084543	0	35	-1.0	-42.59	321.13	6.05	-36.54
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300008084544	0	43	-1.0	-49.20	335.46	4.92	-44.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008084545	0	39	-1.0	-43.79	337.08	3.15	-40.64
CCC1=NOC2=NC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C12	REAL300008084546	0	38	-1.0	-42.75	326.30	2.22	-40.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008084547	0	42	-1.0	-47.26	361.62	4.33	-42.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008084548	0	36	-1.0	-47.43	310.30	3.73	-43.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008084549	0	37	-1.0	-55.26	327.75	8.22	-47.04
CCC1=CC(CC)=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(CC)=C1	REAL300008084550	0	49	-1.0	-50.97	355.29	8.50	-42.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC	REAL300008084551	1	46	-1.0	-54.67	375.52	1.98	-52.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008084552	0	38	-1.0	-51.13	311.70	4.64	-46.49
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008084553	0	37	-1.0	-48.44	332.27	2.70	-45.74
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008084554	0	40	-1.0	-61.97	327.49	7.94	-54.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300008084555	0	38	-1.0	-43.30	305.06	4.18	-39.12
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008084556	0	40	-1.0	-58.60	326.16	6.08	-52.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008084558	0	39	-1.0	-46.64	335.37	5.88	-40.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300008084559	0	38	-1.0	-49.95	335.46	4.84	-45.11
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300008084560	0	37	-1.0	-48.13	315.35	5.96	-42.17
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008084562	0	31	-1.0	-52.67	292.68	5.56	-47.11
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008084563	0	44	-1.0	-43.48	354.07	7.91	-35.57
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008084564	0	42	-1.0	-46.64	347.15	5.33	-41.31
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008084565	0	40	-1.0	-47.64	326.01	1.70	-45.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008084566	0	34	-1.0	-49.78	299.55	4.98	-44.80
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=C(C)N=CS1	REAL300008084567	0	36	-1.0	-43.90	313.65	3.75	-40.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300008084568	0	43	-1.0	-58.89	351.22	6.43	-52.46
CCN(C(C)C(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300008084569	0	44	-1.0	-56.42	320.05	6.52	-49.90
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008084570	0	42	-1.0	-63.12	335.88	1.62	-61.50
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300008084571	0	40	-1.0	-53.06	316.92	5.74	-47.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1	REAL300008084572	0	46	-1.0	-48.46	388.50	7.78	-40.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1	REAL300008084573	0	50	-1.0	-48.10	406.62	5.29	-42.81
CCC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008084574	0	39	-1.0	-62.27	329.32	6.51	-55.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008084575	0	31	-1.0	-48.78	284.15	5.11	-43.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008084576	0	33	-1.0	-47.76	290.54	5.09	-42.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008084577	0	37	-1.0	-52.87	308.74	6.77	-46.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008084578	0	33	-1.0	-54.38	287.88	5.99	-48.39
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300008084579	0	36	-1.0	-39.45	303.26	5.72	-33.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008084580	0	33	-1.0	-69.02	274.35	6.04	-62.98
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300008084581	0	38	-1.0	-40.38	325.02	5.61	-34.77
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300008084582	0	38	-1.0	-51.09	314.18	4.71	-46.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300008084583	0	43	-1.0	-51.67	314.91	6.74	-44.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300008084584	0	46	-1.0	-41.26	347.01	7.17	-34.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008084585	0	34	-1.0	-49.90	301.38	5.44	-44.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008084586	0	34	-1.0	-58.07	283.87	5.71	-52.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300008084587	0	37	-1.0	-60.82	316.18	6.09	-54.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300008084588	0	43	-1.0	-56.24	336.93	7.68	-48.56
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300008084589	0	48	-1.0	-53.01	399.06	4.14	-48.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300008084590	0	42	-1.0	-53.52	358.44	2.48	-51.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300008084591	0	35	-1.0	-43.01	314.99	4.49	-38.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300008084592	0	37	-1.0	-39.97	342.91	6.53	-33.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300008084593	0	34	-1.0	-53.23	299.15	6.52	-46.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300008084594	0	45	-1.0	-51.52	372.74	7.93	-43.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008084595	0	35	-1.0	-48.20	308.30	4.23	-43.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300008084596	0	46	-1.0	-51.80	331.81	7.39	-44.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008084597	0	40	-1.0	-44.11	327.90	4.46	-39.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300008084598	0	47	-1.0	-44.46	362.37	6.51	-37.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300008084599	0	38	-1.0	-57.77	342.73	7.12	-50.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300008084600	0	36	-1.0	-54.53	304.02	6.51	-48.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300008084601	0	35	-1.0	-41.30	307.36	4.80	-36.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300008084602	0	49	-1.0	-56.33	362.95	8.64	-47.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008084603	0	34	-1.0	-52.60	299.37	6.35	-46.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008084604	0	41	-1.0	-52.43	325.57	6.97	-45.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300008084605	0	39	-1.0	-44.66	316.99	3.55	-41.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300008084606	0	39	-1.0	-45.76	324.65	3.78	-41.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008084607	0	39	-1.0	-52.29	312.73	6.71	-45.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300008084608	0	46	-1.0	-51.53	365.76	7.93	-43.60
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1OCC	REAL300008084609	0	45	-1.0	-52.26	365.27	5.53	-46.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008084610	0	36	-1.0	-55.13	317.07	-0.56	-55.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1	REAL300008084611	0	39	-1.0	-50.32	326.49	6.32	-44.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300008084612	0	39	-1.0	-51.73	316.27	6.41	-45.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300008084613	0	39	-1.0	-52.42	319.04	5.99	-46.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300008084614	0	37	-1.0	-64.38	303.87	5.36	-59.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300008084615	0	35	-1.0	-44.72	300.75	5.25	-39.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008084616	0	36	-1.0	-55.84	317.07	-0.56	-56.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008084617	0	43	-1.0	-61.14	368.61	3.16	-57.98
CCN(C(C)C(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300008084618	0	39	-1.0	-60.44	333.76	6.26	-54.18
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008084619	0	40	-1.0	-50.40	313.22	5.47	-44.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300008084620	0	39	-1.0	-43.91	309.26	5.38	-38.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300008084621	0	39	-1.0	-73.57	312.30	7.85	-65.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300008084622	0	42	-1.0	-54.86	360.70	2.52	-52.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008084623	0	43	-1.0	-69.48	353.66	4.38	-65.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008084624	0	37	-1.0	-57.63	323.00	1.96	-55.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008084625	0	41	-1.0	-62.65	325.39	9.03	-53.62
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008084626	0	37	-1.0	-45.95	293.14	6.50	-39.45
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008084627	0	41	-1.0	-46.50	340.11	8.00	-38.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300008084628	0	45	-1.0	-43.85	347.53	6.28	-37.57
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008084629	0	32	-1.0	-45.80	281.53	3.43	-42.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300008084630	0	35	-1.0	-41.40	302.78	4.71	-36.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1	REAL300008084631	0	46	-1.0	-51.30	352.74	7.21	-44.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300008084632	0	34	-1.0	-44.98	301.39	5.68	-39.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300008084633	0	41	-1.0	-50.88	332.12	5.34	-45.54
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008084634	0	34	-1.0	-60.40	302.03	6.70	-53.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008084635	0	36	-1.0	-59.37	313.77	7.05	-52.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008084636	0	36	-1.0	-51.84	299.03	5.40	-46.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008084637	0	42	-1.0	-48.59	370.50	7.92	-40.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300008084638	0	37	-1.0	-42.22	311.92	5.40	-36.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300008084639	0	35	-1.0	-43.15	300.80	3.90	-39.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008084640	0	42	-1.0	-55.12	365.64	8.70	-46.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300008084641	0	46	-1.0	-55.13	379.70	7.53	-47.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300008084642	0	58	-1.0	-57.36	419.79	10.73	-46.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300008084643	0	47	-1.0	-47.69	364.61	7.41	-40.28
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008084644	0	34	-1.0	-59.26	317.72	7.19	-52.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300008084645	0	41	-1.0	-47.49	329.73	6.20	-41.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1	REAL300008084646	0	47	-1.0	-63.16	387.41	2.70	-60.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300008084647	0	36	-1.0	-48.72	298.76	5.85	-42.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300008084648	0	36	-1.0	-48.99	292.48	5.43	-43.56
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300008084649	0	39	-1.0	-60.12	313.67	7.36	-52.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300008084650	0	43	-1.0	-51.78	343.99	7.17	-44.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCOC)C=C1	REAL300008084651	0	41	-1.0	-51.88	338.87	4.93	-46.95
CCN(C(C)C(=O)[O-])S(=O)(=O)N(CCOC)CCOC	REAL300008084652	0	43	-1.0	-56.11	345.31	1.97	-54.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300008084653	0	34	-1.0	-39.58	291.77	5.57	-34.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300008084654	0	41	-1.0	-46.13	338.68	5.39	-40.74
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300008084655	0	47	-1.0	-50.82	374.23	6.76	-44.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008084656	0	45	-1.0	-56.66	362.55	7.19	-49.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300008084657	0	44	-1.0	-50.98	355.26	6.15	-44.83
CCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300008084658	0	41	-1.0	-51.07	335.69	5.51	-45.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300008084659	0	35	-1.0	-42.89	310.60	4.38	-38.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008084660	0	35	-1.0	-44.86	320.36	4.65	-40.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300008084661	0	38	-1.0	-57.06	316.52	4.73	-52.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300008084662	0	44	-1.0	-56.62	357.08	6.62	-50.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300008084663	0	38	-1.0	-53.19	300.29	4.48	-48.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300008084664	0	42	-1.0	-52.98	347.28	3.92	-49.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300008084665	0	34	-1.0	-50.31	291.83	5.80	-44.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300008084666	0	39	-1.0	-41.51	296.63	6.56	-34.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300008084667	0	40	-1.0	-47.67	335.73	2.57	-45.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008084668	0	43	-1.0	-53.56	372.68	2.45	-51.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300008084669	0	39	-1.0	-54.09	338.92	0.59	-53.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC	REAL300008084670	0	39	-1.0	-60.76	317.27	2.50	-58.26
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008084671	0	34	-1.0	-44.80	290.61	5.28	-39.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300008084672	0	35	-1.0	-42.65	300.81	3.90	-38.75
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008084673	0	41	-1.0	-59.96	333.85	8.76	-51.20
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008084674	0	34	-1.0	-54.68	319.86	6.25	-48.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300008084675	0	37	-1.0	-56.11	339.59	5.91	-50.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008084676	0	51	-1.0	-50.50	396.88	8.04	-42.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300008084677	0	39	-1.0	-53.80	316.81	6.62	-47.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300008084678	0	39	-1.0	-58.03	324.21	2.95	-55.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300008084679	0	41	-1.0	-55.56	316.84	5.74	-49.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008084680	0	42	-1.0	-58.65	351.51	8.85	-49.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300008084681	0	41	-1.0	-59.31	319.91	6.10	-53.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300008084682	0	39	-1.0	-52.89	305.29	5.48	-47.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008084683	0	36	-1.0	-47.05	289.30	4.67	-42.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300008084684	0	44	-1.0	-60.27	367.11	8.57	-51.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300008084685	0	36	-1.0	-52.28	306.67	5.25	-47.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008084686	0	38	-1.0	-52.34	333.23	5.11	-47.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008084687	0	45	-1.0	-51.97	373.56	7.70	-44.27
CCC(=O)C1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300008084688	0	39	-1.0	-62.78	322.72	6.61	-56.17
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008084689	0	41	-1.0	-60.14	353.27	6.31	-53.83
CCN(C(C)C(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300008084690	0	53	-1.0	-58.33	406.20	7.70	-50.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300008084691	0	39	-1.0	-57.11	339.25	1.06	-56.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300008084692	0	46	-1.0	-57.55	384.77	3.62	-53.93
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300008084693	0	44	-1.0	-44.64	343.32	6.76	-37.88
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300008084694	0	41	-1.0	-44.15	323.70	5.61	-38.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008084695	0	36	-1.0	-64.97	307.92	5.51	-59.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008084696	0	38	-1.0	-56.56	327.86	5.87	-50.69
CCOCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300008084697	0	45	-1.0	-53.48	369.67	4.94	-48.54
CCCCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300008084698	0	47	-1.0	-50.87	378.16	7.02	-43.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008084699	0	41	-1.0	-46.05	318.94	7.17	-38.88
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008084700	0	37	-1.0	-55.78	311.06	6.31	-49.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008084701	0	35	-1.0	-48.40	318.70	5.89	-42.51
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008084702	0	39	-1.0	-65.81	325.19	6.72	-59.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008084703	0	37	-1.0	-44.67	303.05	0.86	-43.81
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008084704	0	36	-1.0	-49.36	313.40	4.68	-44.68
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(C)=C1	REAL300008084705	0	41	-1.0	-53.76	322.85	5.44	-48.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300008084706	0	39	-1.0	-55.63	339.46	0.65	-54.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008084707	0	35	-1.0	-47.68	293.95	5.00	-42.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(SC)C=C1	REAL300008084708	0	35	-1.0	-51.20	302.51	5.45	-45.75
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008084709	0	37	-1.0	-61.41	324.36	7.21	-54.20
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300008084710	0	42	-1.0	-44.42	326.84	6.26	-38.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008084711	0	37	-1.0	-45.21	296.80	3.89	-41.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008084712	0	36	-1.0	-43.64	289.14	4.54	-39.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008084713	0	43	-1.0	-59.51	361.02	6.72	-52.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300008084714	0	37	-1.0	-58.08	322.16	6.55	-51.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008084715	0	37	-1.0	-44.56	337.94	5.27	-39.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008084716	0	40	-1.0	-58.65	324.40	6.93	-51.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300008084717	0	39	-1.0	-47.61	332.25	4.32	-43.29
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300008084718	0	38	-1.0	-58.94	333.04	5.13	-53.81
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300008084719	0	38	-1.0	-58.44	315.75	5.08	-53.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300008084720	0	42	-1.0	-55.71	334.63	6.06	-49.65
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300008084721	0	34	-1.0	-55.29	299.46	5.62	-49.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300008084722	0	43	-1.0	-56.35	361.70	3.01	-53.34
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008084723	0	38	-1.0	-57.58	334.14	5.05	-52.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(OC)C=C1OC	REAL300008084724	0	39	-1.0	-41.74	337.39	4.23	-37.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008084725	0	39	-1.0	-69.54	317.98	5.91	-63.63
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008084726	0	34	-1.0	-55.20	312.79	6.06	-49.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300008084727	0	39	-1.0	-56.91	324.35	5.35	-51.56
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300008084728	0	43	-1.0	-44.49	315.83	7.40	-37.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300008084729	0	43	-1.0	-58.08	340.54	2.90	-55.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008084730	0	42	-1.0	-51.24	368.32	7.82	-43.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008084731	0	37	-1.0	-52.76	331.54	5.20	-47.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008084732	0	37	-1.0	-44.34	349.08	5.80	-38.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300008084733	0	40	-1.0	-51.24	342.26	3.64	-47.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008084734	0	34	-1.0	-51.37	293.71	3.02	-48.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008084735	0	34	-1.0	-47.53	291.16	3.17	-44.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008084736	0	39	-1.0	-52.14	316.54	5.12	-47.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300008084737	0	41	-1.0	-52.37	345.79	6.33	-46.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300008084738	0	39	-1.0	-49.46	336.63	5.60	-43.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300008084739	0	36	-1.0	-52.64	312.07	6.22	-46.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300008084740	0	42	-1.0	-51.11	353.66	5.35	-45.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008084741	0	33	-1.0	-55.82	299.29	4.22	-51.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300008084742	0	39	-1.0	-53.55	314.80	4.85	-48.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300008084743	0	40	-1.0	-52.56	329.55	7.36	-45.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300008084744	0	39	-1.0	-57.99	310.81	5.70	-52.29
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008084745	0	36	-1.0	-48.70	312.43	4.67	-44.03
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008084746	0	37	-1.0	-54.30	324.11	6.46	-47.84
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300008084747	0	43	-1.0	-52.53	336.55	4.97	-47.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008084748	0	33	-1.0	-51.45	302.03	3.98	-47.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300008084749	0	39	-1.0	-59.62	316.94	5.09	-54.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300008084750	0	39	-1.0	-51.94	314.98	6.38	-45.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300008084751	0	39	-1.0	-55.94	315.76	7.37	-48.57
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300008084752	0	39	-1.0	-54.47	313.23	7.26	-47.21
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300008084753	0	41	-1.0	-55.61	336.88	5.24	-50.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300008084754	0	40	-1.0	-56.54	334.58	7.07	-49.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300008084755	0	39	-1.0	-59.74	326.27	3.34	-56.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300008084756	0	37	-1.0	-51.44	297.00	3.85	-47.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300008084757	0	35	-1.0	-42.57	310.61	4.38	-38.19
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300008084758	0	37	-1.0	-64.75	308.58	6.70	-58.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300008084759	0	39	-1.0	-60.77	311.52	5.97	-54.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300008084760	0	36	-1.0	-50.85	303.39	2.12	-48.73
CCC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1CC	REAL300008084761	0	43	-1.0	-57.66	344.78	7.60	-50.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300008084762	0	39	-1.0	-50.71	317.40	7.18	-43.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300008084763	0	41	-1.0	-56.42	320.44	6.04	-50.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300008084764	0	32	-1.0	-38.53	282.84	2.31	-36.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300008084765	0	38	-1.0	-57.08	315.69	4.60	-52.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008084766	0	37	-1.0	-65.47	306.57	5.79	-59.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008084767	0	34	-1.0	-53.14	283.74	3.36	-49.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300008084768	0	37	-1.0	-42.78	312.13	5.85	-36.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008084769	0	38	-1.0	-57.90	318.30	4.18	-53.72
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008084770	0	44	-1.0	-62.08	362.32	7.03	-55.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300008084771	0	35	-1.0	-57.06	295.38	4.47	-52.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008084772	0	33	-1.0	-50.06	287.85	4.73	-45.33
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008084773	0	34	-1.0	-56.79	304.87	5.78	-51.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300008084774	0	34	-1.0	-53.28	295.12	6.43	-46.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008084775	0	37	-1.0	-56.57	311.78	5.59	-50.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300008084776	0	40	-1.0	-45.26	352.16	6.06	-39.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008084777	0	39	-1.0	-45.71	305.35	5.48	-40.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008084778	0	38	-1.0	-49.70	330.22	2.37	-47.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008084779	0	40	-1.0	-50.96	321.07	4.78	-46.18
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008084780	0	34	-1.0	-59.45	310.03	6.12	-53.33
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300008084781	0	56	-1.0	-50.93	443.19	9.41	-41.52
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300008084782	0	41	-1.0	-40.65	346.58	6.42	-34.23
CCC(C)OC1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300008084783	0	44	-1.0	-57.06	350.29	7.01	-50.05
CCN(C(C)C(=O)[O-])S(=O)(=O)CC(OC)C1CCCC1	REAL300008084784	0	44	-1.0	-54.94	337.32	4.99	-49.95
CCN(C(C)C(=O)[O-])S(=O)(=O)CC(OC)C1CCCCC1	REAL300008084785	0	47	-1.0	-55.54	354.14	5.53	-50.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008084786	0	45	-1.0	-44.24	382.56	7.88	-36.36
CCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1C(C)C	REAL300008084787	0	50	-1.0	-56.10	392.12	8.41	-47.69
CCC1=NC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CN1CC1CC1	REAL300008084788	0	44	-1.0	-55.73	359.39	6.29	-49.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008084789	0	34	-1.0	-53.95	301.64	4.91	-49.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300008084790	0	39	-1.0	-45.43	320.15	6.53	-38.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300008084791	0	38	-1.0	-54.57	309.98	4.51	-50.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008084792	0	44	-1.0	-49.43	361.44	6.74	-42.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300008084793	0	34	-1.0	-48.87	300.52	4.08	-44.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008084794	0	42	-1.0	-58.77	360.75	9.43	-49.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008084795	0	41	-1.0	-54.96	322.09	7.83	-47.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1	REAL300008084796	0	51	-1.0	-47.25	420.45	9.41	-37.84
CCC1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C(C)C=C1OC	REAL300008084797	0	44	-1.0	-40.79	338.38	5.64	-35.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008084798	0	37	-1.0	-48.32	334.06	6.36	-41.96
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008084799	0	33	-1.0	-58.30	287.22	3.30	-55.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300008084800	0	40	-1.0	-49.54	304.32	7.29	-42.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300008084801	0	40	-1.0	-55.15	336.47	3.29	-51.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300008084802	0	35	-1.0	-46.51	295.87	4.71	-41.80
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1C(C)C	REAL300008084803	0	47	-1.0	-56.68	370.62	7.61	-49.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300008084804	0	43	-1.0	-45.74	344.15	6.83	-38.91
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008084805	0	50	-1.0	-57.65	389.99	9.07	-48.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300008084806	0	41	-1.0	-46.40	321.14	4.53	-41.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300008084807	0	43	-1.0	-54.85	329.72	4.62	-50.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008084808	0	41	-1.0	-49.89	331.06	4.96	-44.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300008084809	0	34	-1.0	-45.95	285.38	3.04	-42.91
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300008084810	0	38	-1.0	-59.42	322.72	4.69	-54.73
C=CCCC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300008084811	0	41	-1.0	-51.70	340.03	7.26	-44.44
CCCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1C(C)C	REAL300008084812	0	53	-1.0	-55.23	413.63	9.19	-46.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008084813	0	35	-1.0	-42.86	314.56	6.29	-36.57
CCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1C(C)(C)C	REAL300008084814	0	53	-1.0	-51.45	406.85	8.20	-43.25
CCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1CC	REAL300008084815	0	47	-1.0	-57.24	381.50	7.20	-50.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300008084816	0	37	-1.0	-52.99	303.44	6.82	-46.17
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300008084817	0	37	-1.0	-41.16	325.71	6.44	-34.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008084818	0	35	-1.0	-47.97	308.50	6.62	-41.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300008084819	0	47	-1.0	-49.71	380.05	7.36	-42.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008084820	0	36	-1.0	-52.15	292.93	4.74	-47.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1	REAL300008084821	0	46	-1.0	-54.56	390.55	9.26	-45.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008084822	0	38	-1.0	-50.30	313.56	4.29	-46.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300008084823	0	38	-1.0	-47.70	310.21	4.85	-42.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008084824	0	41	-1.0	-47.38	327.63	5.58	-41.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300008084825	0	42	-1.0	-51.84	332.92	3.10	-48.74
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008084826	0	37	-1.0	-55.16	327.20	6.23	-48.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300008084827	0	38	-1.0	-49.83	305.32	4.55	-45.28
CCCCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1C(C)C	REAL300008084828	0	56	-1.0	-56.08	435.12	9.97	-46.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300008084829	0	47	-1.0	-46.60	364.21	6.50	-40.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300008084830	0	41	-1.0	-40.57	329.62	5.62	-34.95
CCOCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1C(C)C	REAL300008084831	0	54	-1.0	-58.31	426.10	7.83	-50.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300008084832	0	39	-1.0	-50.39	314.12	5.60	-44.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300008084833	0	39	-1.0	-53.76	329.14	5.01	-48.75
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008084834	0	37	-1.0	-46.71	310.90	5.02	-41.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300008084835	0	36	-1.0	-57.33	306.60	4.20	-53.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300008084836	0	35	-1.0	-47.86	316.24	4.87	-42.99
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008084837	0	34	-1.0	-57.16	306.14	6.18	-50.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300008084838	0	38	-1.0	-45.61	306.86	4.22	-41.39
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300008084839	0	40	-1.0	-41.56	309.98	6.61	-34.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300008084840	0	39	-1.0	-49.22	318.81	4.50	-44.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300008084841	0	44	-1.0	-55.74	346.59	5.26	-50.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300008084842	0	43	-1.0	-49.42	341.15	5.07	-44.35
CCCCN1C=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(C)=N1	REAL300008084843	0	43	-1.0	-52.02	345.81	5.00	-47.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300008084844	0	38	-1.0	-53.57	309.16	4.13	-49.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008084845	0	35	-1.0	-52.98	301.55	4.01	-48.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300008084846	0	36	-1.0	-50.59	301.49	3.49	-47.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300008084847	0	37	-1.0	-39.05	310.37	6.03	-33.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008084848	0	37	-1.0	-40.62	334.20	5.73	-34.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300008084849	0	41	-1.0	-50.79	326.20	4.84	-45.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300008084850	0	49	-1.0	-60.40	368.46	9.15	-51.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008084851	0	37	-1.0	-54.52	338.16	6.56	-47.96
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008084852	0	41	-1.0	-59.28	341.28	5.40	-53.88
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008084853	0	35	-1.0	-53.96	299.27	5.68	-48.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008084854	0	42	-1.0	-41.98	351.55	7.07	-34.91
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300008084855	0	40	-1.0	-68.02	326.56	5.65	-62.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300008084856	0	38	-1.0	-47.75	310.35	4.16	-43.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300008084857	0	40	-1.0	-56.56	317.49	4.62	-51.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300008084858	0	40	-1.0	-52.64	327.94	4.20	-48.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300008084859	0	38	-1.0	-49.49	303.04	3.51	-45.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300008084860	0	36	-1.0	-46.37	313.27	4.21	-42.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008084861	0	34	-1.0	-41.56	304.93	5.51	-36.05
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300008084862	0	42	-1.0	-62.24	344.22	7.37	-54.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008084863	0	42	-1.0	-53.37	327.81	7.40	-45.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008084864	0	37	-1.0	-43.08	328.12	5.65	-37.43
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300008084865	0	38	-1.0	-60.76	314.59	3.82	-56.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1	REAL300008084866	0	41	-1.0	-49.29	358.50	5.19	-44.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008084867	0	31	-1.0	-63.22	290.26	5.29	-57.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008084868	0	41	-1.0	-48.07	327.84	5.54	-42.53
CCC(C)N1N=CC=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300008084869	0	40	-1.0	-47.63	321.26	4.34	-43.29
CCN(C(C)C(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300008084870	0	45	-1.0	-51.85	330.82	5.45	-46.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300008084871	0	45	-1.0	-55.42	355.95	3.52	-51.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300008084872	0	37	-1.0	-55.82	320.94	6.56	-49.26
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008084873	0	35	-1.0	-56.21	298.90	4.90	-51.31
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008084874	0	46	-1.0	-57.87	354.11	7.86	-50.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300008084875	0	42	-1.0	-56.33	332.85	6.72	-49.61
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008084876	0	39	-1.0	-44.37	319.20	4.60	-39.77
CCOCC1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300008084877	0	41	-1.0	-58.56	336.59	6.02	-52.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008084878	0	34	-1.0	-51.30	322.94	6.62	-44.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300008084879	0	41	-1.0	-47.85	342.05	5.72	-42.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008084880	0	44	-1.0	-49.74	350.04	5.56	-44.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008084881	0	42	-1.0	-55.01	348.92	8.18	-46.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300008084882	0	37	-1.0	-43.28	322.80	6.25	-37.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008084883	0	34	-1.0	-51.30	322.94	6.62	-44.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300008084884	0	40	-1.0	-46.15	310.87	7.03	-39.12
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300008084885	0	41	-1.0	-59.11	340.61	5.73	-53.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008084886	0	35	-1.0	-51.65	303.75	5.85	-45.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008084887	0	35	-1.0	-42.82	319.12	6.39	-36.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008084888	0	35	-1.0	-51.00	318.62	6.40	-44.60
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300008084889	0	36	-1.0	-66.66	305.24	-0.53	-67.19
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008084890	0	33	-1.0	-53.26	290.65	3.84	-49.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300008084891	0	40	-1.0	-50.07	339.38	3.72	-46.35
CCN(C(C)C(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008084892	0	48	-1.0	-58.34	341.38	7.40	-50.94
CCN(C(C)C(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300008084893	0	39	-1.0	-52.79	301.11	4.90	-47.89
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300008084894	0	39	-1.0	-64.91	333.12	1.32	-63.59
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300008084895	0	44	-1.0	-63.95	340.67	5.20	-58.75
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008084896	0	35	-1.0	-47.14	313.30	3.65	-43.49
CCN(C(C)C(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008084897	0	41	-1.0	-41.93	347.36	7.51	-34.42
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008084898	0	40	-1.0	-43.73	316.96	2.00	-41.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008084899	0	44	-1.0	-60.13	333.56	6.97	-53.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008084900	0	35	-1.0	-56.73	305.35	6.75	-49.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300008084901	0	53	-1.0	-52.35	391.90	8.60	-43.75
CCN(C(C)C(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300008084902	0	42	-1.0	-51.72	340.94	5.62	-46.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300008084903	0	36	-1.0	-61.19	308.65	3.32	-57.87
CCN(C(C)C(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008084904	0	43	-1.0	-57.07	317.93	5.73	-51.34
CCN(C(C)C(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300008084905	0	42	-1.0	-43.45	343.48	6.35	-37.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008084906	0	35	-1.0	-41.62	309.92	5.25	-36.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300008084907	0	35	-1.0	-53.17	301.32	4.16	-49.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008084908	0	35	-1.0	-53.35	307.79	4.07	-49.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300008084909	0	37	-1.0	-54.39	296.98	5.06	-49.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300008084910	0	38	-1.0	-50.17	318.82	6.28	-43.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008084911	0	40	-1.0	-42.86	344.80	5.08	-37.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300008084912	0	44	-1.0	-48.11	356.15	6.94	-41.17
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008084913	0	42	-1.0	-59.51	349.38	8.17	-51.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300008084914	0	37	-1.0	-65.07	295.38	6.19	-58.88
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008084915	0	32	-1.0	-43.15	298.23	3.92	-39.23
C=C(C)COC1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300008084916	0	42	-1.0	-57.40	344.31	6.99	-50.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300008084917	0	41	-1.0	-53.42	330.25	4.92	-48.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300008084918	0	35	-1.0	-60.88	301.13	4.03	-56.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008084919	0	37	-1.0	-55.58	323.20	8.11	-47.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008084920	0	41	-1.0	-49.72	354.58	8.54	-41.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008084921	0	30	-1.0	-48.36	292.40	2.49	-45.87
CCC1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C1Br	REAL300008084922	0	37	-1.0	-54.33	326.76	6.90	-47.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300008084923	0	44	-1.0	-45.83	348.65	5.63	-40.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300008084924	0	45	-1.0	-44.34	364.10	4.75	-39.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008084925	0	37	-1.0	-46.69	315.02	7.13	-39.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300008084926	0	39	-1.0	-45.73	304.50	2.19	-43.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300008084927	0	37	-1.0	-50.57	328.50	4.44	-46.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008084928	0	46	-1.0	-56.01	362.14	5.72	-50.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300008084929	0	34	-1.0	-42.81	303.24	2.38	-40.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300008084930	0	37	-1.0	-48.75	310.19	1.86	-46.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300008084931	0	40	-1.0	-55.68	330.25	4.90	-50.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300008084932	0	40	-1.0	-50.12	322.30	4.15	-45.97
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008084933	0	41	-1.0	-53.54	321.48	2.12	-51.42
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=NOC(COC)=C1	REAL300008084934	0	37	-1.0	-48.36	319.21	2.41	-45.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008084935	0	36	-1.0	-56.13	308.86	7.20	-48.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300008084936	0	42	-1.0	-53.00	337.79	4.89	-48.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300008084937	0	38	-1.0	-47.12	309.28	4.62	-42.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008084938	0	38	-1.0	-55.47	322.09	6.34	-49.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008084939	0	33	-1.0	-52.77	294.00	3.52	-49.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300008084940	0	40	-1.0	-53.55	321.90	4.22	-49.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300008084941	0	45	-1.0	-45.76	375.12	8.15	-37.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008084942	0	36	-1.0	-53.63	302.42	4.94	-48.69
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300008084943	0	34	-1.0	-50.59	293.76	4.14	-46.45
CCN(C(C)C(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300008084944	0	39	-1.0	-49.09	323.91	0.43	-48.66
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300008084945	0	38	-1.0	-54.51	308.49	4.78	-49.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300008084946	0	37	-1.0	-41.67	324.91	2.80	-38.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008084947	0	36	-1.0	-42.87	288.77	4.60	-38.27
CCOC1=CC=CN=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300008084948	0	37	-1.0	-51.68	309.99	3.80	-47.88
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300008084949	0	39	-1.0	-52.06	315.46	5.88	-46.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008084950	0	33	-1.0	-51.03	296.15	3.48	-47.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008084951	0	38	-1.0	-47.71	332.04	5.15	-42.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300008084952	0	44	-1.0	-44.09	345.20	6.05	-38.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C=N1	REAL300008084953	0	35	-1.0	-62.13	312.23	5.14	-56.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C=N1	REAL300008084954	0	36	-1.0	-60.37	317.12	4.16	-56.21
CC1=CC=C(S(=O)(=O)NCC2=CN(C)C=N2)C=C1C(=O)[O-]	REAL300008084955	0	35	-1.0	-57.03	312.76	4.87	-52.16
CN1C=NC(CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)=C1	REAL300008084956	0	29	-1.0	-52.36	279.89	4.13	-48.23
CN1C=NC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300008084957	0	29	-1.0	-52.48	288.99	3.47	-49.01
CN1C=NC(CNS(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300008084958	0	37	-1.0	-53.16	312.14	3.37	-49.79
CN1C=NC(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300008084959	0	37	-1.0	-51.07	313.34	3.43	-47.64
CN1C=NC(CNS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])=C1	REAL300008084960	0	32	-1.0	-49.55	302.75	5.74	-43.81
CN1C=NC(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300008084961	0	35	-1.0	-65.45	320.51	5.06	-60.39
CN1C=NC(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300008084962	0	37	-1.0	-51.07	313.34	3.43	-47.64
CN1C=NC(CNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300008084963	0	35	-1.0	-67.81	320.51	5.05	-62.76
CN1C=NC(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300008084964	0	36	-1.0	-53.42	327.79	4.62	-48.80
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1=CN(C)C=N1	REAL300008084965	0	36	-1.0	-49.21	335.84	5.32	-43.89
CN1C=NC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300008084966	0	29	-1.0	-54.17	289.91	3.36	-50.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CN(C)C=N2)=C1C	REAL300008084967	0	38	-1.0	-62.98	328.31	5.77	-57.21
CC1=CC=CC(S(=O)(=O)NCC2=CN(C)C=N2)=C1C(=O)[O-]	REAL300008084968	0	35	-1.0	-59.48	313.64	5.38	-54.10
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CN(C)C=N2)=C1	REAL300008084969	0	39	-1.0	-58.28	351.79	4.05	-54.23
CN1C=NC(CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300008084970	0	29	-1.0	-55.80	288.37	3.36	-52.44
CN1C=NC(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])=C1	REAL300008084971	0	35	-1.0	-48.15	324.72	6.22	-41.93
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=CN(C)C=N1	REAL300008084972	0	35	-1.0	-52.90	305.84	5.11	-47.79
CN1C=NC(CNS(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)=C1	REAL300008084973	0	35	-1.0	-57.65	324.25	6.66	-50.99
CN1C=NC(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300008084974	0	35	-1.0	-54.44	318.89	5.12	-49.32
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CN(C)C=N2)C=C1[N+](=O)[O-]	REAL300008084975	0	37	-1.0	-47.09	334.97	5.37	-41.72
CN1C=NC(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300008084976	0	35	-1.0	-57.37	318.89	5.11	-52.26
CN1C=NC(CNS(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300008084977	0	28	-1.0	-55.56	274.22	2.59	-52.97
CN1C=NC(CNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)=C1	REAL300008084978	0	28	-1.0	-69.17	271.87	1.88	-67.29
CN1C=NC(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=C1	REAL300008084979	0	32	-1.0	-51.86	313.45	4.84	-47.02
CN1C=NC(CNS(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300008084980	0	32	-1.0	-51.81	318.02	4.95	-46.86
COC1=CC=C(S(=O)(=O)NCC2=CN(C)C=N2)C=C1C(=O)[O-]	REAL300008084981	0	36	-1.0	-64.00	324.01	4.40	-59.60
CC1=CC(S(=O)(=O)NCC2=CN(C)C=N2)=CC=C1C(=O)[O-]	REAL300008084982	0	35	-1.0	-52.76	312.72	4.88	-47.88
CN1C=NC(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)=C1	REAL300008084983	0	37	-1.0	-56.25	329.46	4.75	-51.50
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CN(C)C=N2)=C1	REAL300008084984	0	39	-1.0	-58.28	351.79	4.05	-54.23
CN1C=NC(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=C1	REAL300008084985	0	32	-1.0	-51.86	313.45	4.84	-47.02
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=CN(C)C=N1	REAL300008084986	0	32	-1.0	-56.37	296.83	4.83	-51.54
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C=N1	REAL300008084987	0	35	-1.0	-55.69	325.17	5.67	-50.02
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3=CN(C)C=N3)C=C12	REAL300008084988	0	38	-1.0	-56.06	343.66	5.67	-50.39
CN1C=NC(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300008084989	0	35	-1.0	-65.45	320.51	5.06	-60.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C=N1	REAL300008084990	0	36	-1.0	-60.37	317.12	4.16	-56.21
CC1=CC=C(S(=O)(=O)NCC2=CN(C)C=N2)C=C1C(=O)[O-]	REAL300008084991	0	35	-1.0	-57.03	312.76	4.87	-52.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C=N1	REAL300008084992	0	35	-1.0	-62.13	312.23	5.14	-56.99
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C=N1	REAL300008084993	0	36	-1.0	-51.43	330.98	4.37	-47.06
CN1C=NC(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300008084994	0	35	-1.0	-57.37	318.89	5.11	-52.26
COC1=C(S(=O)(=O)NCC2=CN(C)C=N2)SC(C(=O)[O-])=C1	REAL300008084995	0	33	-1.0	-52.02	314.94	2.62	-49.40
CC1=C(Br)C=C(S(=O)(=O)NCC2=CN(C)C=N2)C=C1C(=O)[O-]	REAL300008084996	0	35	-1.0	-53.20	334.57	5.50	-47.70
CN1C=NC(CNS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)=C1	REAL300008084997	0	37	-1.0	-54.23	333.54	5.00	-49.23
CN1C=NC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300008084998	0	35	-1.0	-51.81	326.83	5.15	-46.66
CN1C=NC(CNS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300008084999	0	39	-1.0	-58.01	342.84	6.22	-51.79
CCC1=C(S(=O)(=O)NCC2=CN(C)C=N2)C=C(C(=O)[O-])O1	REAL300008085000	0	35	-1.0	-57.96	321.06	4.26	-53.70
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008091960	0	38	-1.0	-40.66	303.92	4.29	-36.37
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300008091961	0	45	-1.0	-45.21	374.68	4.26	-40.95
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300008091962	0	45	-1.0	-44.76	378.74	1.24	-43.52
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008091963	0	52	-1.0	-43.31	374.50	5.83	-37.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300008091964	0	42	-1.0	-50.58	329.36	5.64	-44.94
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008091965	0	42	-1.0	-51.36	346.64	5.95	-45.41
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008091966	0	45	-1.0	-45.25	364.60	2.70	-42.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300008091967	0	48	-1.0	-41.70	386.63	5.32	-36.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300008091968	0	48	-1.0	-44.49	389.93	5.34	-39.15
CCCN1C=NC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300008091969	0	40	-1.0	-53.50	329.22	5.41	-48.09
CC[C@H](C)[C@H](NS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300008091970	0	48	-1.0	-48.62	394.47	1.43	-47.19
CC[C@H](C)[C@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300008091971	0	50	-1.0	-39.40	382.39	5.43	-33.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008091972	0	41	-1.0	-43.80	355.65	4.45	-39.35
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008091973	0	42	-1.0	-44.30	345.47	1.90	-42.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300008091974	0	38	-1.0	-42.18	334.98	4.01	-38.17
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008091975	0	38	-1.0	-39.71	312.76	4.37	-35.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300008091976	0	40	-1.0	-41.66	339.86	4.83	-36.83
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300008091977	0	40	-1.0	-39.63	338.45	5.99	-33.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300008091978	0	40	-1.0	-40.65	337.41	5.95	-34.70
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008091979	0	40	-1.0	-39.91	338.78	5.60	-34.31
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300008091980	0	43	-1.0	-43.71	336.35	6.10	-37.61
CC[C@H](C)[C@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300008091981	0	46	-1.0	-42.15	359.67	1.09	-41.06
CCOC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300008091982	0	41	-1.0	-46.02	338.76	4.38	-41.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300008091983	0	41	-1.0	-45.93	346.34	1.77	-44.16
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008091984	0	41	-1.0	-46.64	350.94	4.70	-41.94
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008091985	0	42	-1.0	-43.64	359.47	6.29	-37.35
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008091986	0	39	-1.0	-49.43	327.77	4.53	-44.90
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008091987	0	37	-1.0	-43.28	331.04	5.45	-37.83
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008091988	0	37	-1.0	-45.36	326.47	5.39	-39.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008091989	0	41	-1.0	-56.98	352.03	2.02	-54.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300008091990	0	37	-1.0	-42.41	330.07	5.43	-36.98
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300008091991	0	37	-1.0	-40.90	316.24	5.39	-35.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300008091992	0	41	-1.0	-42.92	326.09	4.07	-38.85
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300008091993	0	38	-1.0	-43.13	337.35	4.12	-39.01
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300008091994	0	42	-1.0	-41.63	342.99	4.10	-37.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008091995	0	37	-1.0	-47.41	331.38	3.22	-44.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008091996	0	37	-1.0	-46.78	326.50	3.00	-43.78
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008091997	0	45	-1.0	-47.07	364.85	5.40	-41.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008091998	0	37	-1.0	-48.53	314.40	3.47	-45.06
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300008091999	0	45	-1.0	-42.16	334.39	1.98	-40.18
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300008092000	0	46	-1.0	-53.20	391.08	3.36	-49.84
COCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008098453	0	36	-1.0	-40.59	306.48	2.28	-38.31
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098454	0	43	-1.0	-43.25	352.45	3.04	-40.21
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1C	REAL300008098455	0	43	-1.0	-56.56	380.77	-0.96	-57.52
COCCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008098456	0	50	-1.0	-53.04	376.19	3.70	-49.34
COCCC(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300008098457	0	40	-1.0	-50.35	332.48	3.59	-46.76
COCCC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008098458	0	40	-1.0	-52.37	353.47	4.00	-48.37
COCCC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008098459	0	43	-1.0	-45.23	364.87	0.64	-44.59
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098460	0	46	-1.0	-42.24	391.39	3.37	-38.87
COCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300008098461	0	46	-1.0	-44.21	395.36	3.45	-40.76
CCCN1C=NC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300008098462	0	38	-1.0	-60.40	334.29	3.14	-57.26
COCCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300008098463	0	48	-1.0	-39.56	386.03	3.41	-36.15
COCCC(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008098464	0	39	-1.0	-43.02	358.20	2.43	-40.59
COCCC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008098465	0	40	-1.0	-51.81	347.94	-0.19	-52.00
COCCC(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300008098466	0	36	-1.0	-43.36	340.76	2.05	-41.31
COCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008098467	0	36	-1.0	-39.72	313.54	2.45	-37.27
COCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300008098468	0	38	-1.0	-50.21	344.68	2.79	-47.42
COCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300008098469	0	38	-1.0	-39.75	341.04	3.84	-35.91
COCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300008098470	0	38	-1.0	-40.14	340.23	3.95	-36.19
COCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008098471	0	38	-1.0	-49.92	343.35	3.58	-46.34
COCCC(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300008098472	0	41	-1.0	-58.03	333.32	3.60	-54.43
CCOC1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300008098473	0	39	-1.0	-45.02	340.98	2.38	-42.64
COCCC(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300008098474	0	39	-1.0	-44.54	349.73	-0.26	-44.80
COCCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008098475	0	39	-1.0	-58.60	353.27	2.61	-55.99
COCCC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008098476	0	40	-1.0	-58.77	362.27	4.23	-54.54
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008098477	0	37	-1.0	-48.38	328.90	2.46	-45.92
COCCC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008098478	0	35	-1.0	-42.61	333.60	3.43	-39.18
COCCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008098479	0	35	-1.0	-55.77	329.34	3.34	-52.43
COCCC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008098480	0	39	-1.0	-65.09	353.58	-0.07	-65.16
COCCC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300008098481	0	35	-1.0	-41.93	330.43	3.37	-38.56
COCCC(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300008098482	0	35	-1.0	-41.37	319.98	3.47	-37.90
COCCC(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300008098483	0	39	-1.0	-52.85	332.34	2.09	-50.76
COCCC(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300008098484	0	36	-1.0	-50.14	338.83	2.04	-48.10
COCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300008098485	0	40	-1.0	-41.57	345.55	2.09	-39.48
COCCC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008098486	0	35	-1.0	-47.93	333.93	1.19	-46.74
COCCC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008098487	0	35	-1.0	-46.64	325.64	0.99	-45.65
COCCC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008098488	0	43	-1.0	-53.02	366.42	3.33	-49.69
COCCC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008098489	0	35	-1.0	-47.91	316.74	1.09	-46.82
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300008098490	0	44	-1.0	-57.39	392.62	1.29	-56.10
COCCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300008098491	0	36	-1.0	-44.87	322.51	3.13	-41.74
CCC1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300008098492	0	38	-1.0	-44.09	332.86	3.55	-40.54
COCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008098493	0	40	-1.0	-55.96	367.86	-1.15	-57.11
COCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008098494	0	43	-1.0	-67.81	356.37	1.95	-65.86
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1F	REAL300008098495	0	43	-1.0	-54.99	389.56	-0.28	-55.27
CCC1=CC=C(CS(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300008098496	0	41	-1.0	-57.31	355.44	4.21	-53.10
COCCC(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300008098497	0	35	-1.0	-42.80	324.03	2.69	-40.11
COCCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008098498	0	47	-1.0	-57.53	402.91	2.49	-55.04
COCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008098499	0	44	-1.0	-48.09	373.39	2.41	-45.68
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300008098500	0	41	-1.0	-53.43	372.14	0.54	-52.89
COCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300008098501	0	42	-1.0	-47.08	360.87	-0.27	-47.35
COCCC(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300008098502	0	41	-1.0	-44.51	350.72	4.02	-40.49
CCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1Br	REAL300008098503	0	39	-1.0	-50.83	360.91	2.94	-47.89
COCCC(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008098504	0	46	-1.0	-47.31	395.74	5.15	-42.16
COCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008098505	0	36	-1.0	-39.93	325.46	2.62	-37.31
COCCC(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300008098506	0	39	-1.0	-45.73	358.50	2.68	-43.05
COCCC(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300008098507	0	41	-1.0	-42.96	336.16	0.34	-42.62
COCCC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008098508	0	46	-1.0	-45.84	400.72	4.04	-41.80
COCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300008098509	0	39	-1.0	-57.48	356.91	3.12	-54.36
COCCC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300008098510	0	44	-1.0	-46.54	380.69	3.67	-42.87
CCS(=O)(=O)NCCS(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098511	0	39	-1.0	-46.89	349.08	-3.22	-50.11
COCCC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008098512	0	38	-1.0	-47.27	343.67	3.40	-43.87
COCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008098513	0	35	-1.0	-43.38	345.61	4.08	-39.30
COCCC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008098514	0	38	-1.0	-42.57	350.19	4.83	-37.74
COCCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008098515	0	35	-1.0	-52.29	341.61	3.93	-48.36
COCCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008098516	0	38	-1.0	-57.57	344.91	4.84	-52.73
COCCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008098517	0	38	-1.0	-55.84	350.19	3.85	-51.99
COCCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008098518	0	43	-1.0	-45.10	369.69	3.42	-41.68
COCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008098519	0	46	-1.0	-41.27	384.36	5.61	-35.66
COCCC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008098520	0	45	-1.0	-57.67	396.35	3.63	-54.04
COCCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008098521	0	43	-1.0	-45.47	385.22	-0.89	-46.36
COCCC(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300008098522	0	41	-1.0	-45.77	358.51	5.08	-40.69
COCCC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300008098523	0	43	-1.0	-52.83	363.83	2.74	-50.09
COCCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008098524	0	38	-1.0	-44.45	349.99	4.04	-40.41
COCCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008098525	0	37	-1.0	-57.98	320.25	-0.87	-58.85
COCCC(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008098526	0	45	-1.0	-43.87	373.29	2.56	-41.31
COCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300008098527	0	39	-1.0	-55.35	345.74	2.58	-52.77
COCCC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008098528	0	41	-1.0	-50.49	369.66	0.28	-50.21
COCCC(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300008098529	0	36	-1.0	-50.49	344.11	3.54	-46.95
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098530	0	44	-1.0	-51.63	361.72	2.53	-49.10
COCCC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008098531	0	40	-1.0	-47.32	361.13	0.69	-46.63
CCC1=NOC2=NC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C12	REAL300008098532	0	39	-1.0	-46.77	351.21	-0.16	-46.93
COCCC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008098533	0	43	-1.0	-49.01	385.47	1.90	-47.11
COCCC(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300008098534	0	37	-1.0	-45.09	332.08	1.24	-43.85
CCC1=CC(CC)=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C(CC)=C1	REAL300008098535	0	50	-1.0	-43.68	390.50	6.74	-36.94
COCCC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300008098536	0	39	-1.0	-52.70	333.49	2.11	-50.59
COCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008098537	0	38	-1.0	-40.48	356.33	0.19	-40.29
COCCC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008098538	0	41	-1.0	-44.72	351.99	5.77	-38.95
COCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300008098539	0	39	-1.0	-51.56	335.68	2.21	-49.35
COCCC(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300008098540	0	44	-1.0	-56.96	338.88	3.53	-53.43
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008098541	0	41	-1.0	-43.33	343.71	3.37	-39.96
COCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008098543	0	40	-1.0	-46.69	357.16	3.38	-43.31
COCCC(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300008098544	0	39	-1.0	-43.05	361.77	2.35	-40.70
COCCC(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300008098545	0	38	-1.0	-57.15	339.29	3.48	-53.67
COCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008098547	0	32	-1.0	-40.20	322.54	2.31	-37.89
COCCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008098548	0	45	-1.0	-57.56	377.55	5.35	-52.21
COCCC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008098549	0	43	-1.0	-56.94	370.92	2.77	-54.17
COCCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008098550	0	41	-1.0	-67.16	350.18	-0.78	-67.94
COCCC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008098551	0	35	-1.0	-46.27	326.15	2.59	-43.68
COCCC(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300008098552	0	37	-1.0	-56.18	337.82	1.27	-54.91
COCCC(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300008098553	0	42	-1.0	-41.21	329.89	3.52	-37.69
COCCC(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300008098554	0	44	-1.0	-44.55	367.85	3.70	-40.85
COCCC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008098555	0	43	-1.0	-54.60	358.46	-0.83	-55.43
COCCC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300008098556	0	41	-1.0	-54.35	342.41	3.21	-51.14
COCCC(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300008098557	0	39	-1.0	-43.04	335.37	4.12	-38.92
CCC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008098558	0	40	-1.0	-59.76	351.57	3.88	-55.88
COCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008098559	0	32	-1.0	-50.97	305.92	2.57	-48.40
COCCC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008098560	0	32	-1.0	-50.73	310.49	2.67	-48.06
COCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008098561	0	34	-1.0	-49.89	317.41	2.72	-47.17
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300008098562	0	38	-1.0	-45.95	333.67	4.38	-41.57
COCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008098563	0	34	-1.0	-42.11	317.84	2.83	-39.28
COCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300008098564	0	37	-1.0	-40.71	327.20	3.55	-37.16
COCCC(NS(=O)(=O)C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008098565	0	36	-1.0	-53.02	318.44	1.37	-51.65
COCCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008098566	0	34	-1.0	-60.49	303.81	3.54	-56.95
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098567	0	39	-1.0	-40.96	343.48	3.40	-37.56
CCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300008098568	0	39	-1.0	-52.66	340.28	2.30	-50.36
COCCC(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300008098569	0	44	-1.0	-43.51	347.81	4.72	-38.79
COCCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300008098570	0	41	-1.0	-42.83	335.56	4.33	-38.50
COCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300008098571	0	47	-1.0	-42.65	375.03	5.20	-37.45
COCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008098572	0	35	-1.0	-40.89	328.36	3.16	-37.73
COCCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008098573	0	35	-1.0	-59.40	306.62	2.84	-56.56
COCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008098574	0	32	-1.0	-41.64	306.70	2.64	-39.00
COCCC(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300008098575	0	37	-1.0	-53.35	330.18	2.48	-50.87
COCCC(NS(=O)(=O)C1=CC(C)=CC=C1C)C(=O)[O-]	REAL300008098576	0	38	-1.0	-42.31	320.37	3.55	-38.76
COCCC(NS(=O)(=O)C1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300008098577	0	38	-1.0	-55.06	327.58	3.25	-51.81
COCCC(NS(=O)(=O)C1=CC=C(C)C=C1C)C(=O)[O-]	REAL300008098578	0	38	-1.0	-42.20	318.76	3.36	-38.84
COCCC(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008098579	0	38	-1.0	-60.92	344.66	2.79	-58.13
COCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300008098580	0	44	-1.0	-53.43	365.17	4.40	-49.03
COCCC(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300008098581	0	41	-1.0	-53.74	349.41	3.99	-49.75
COCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008098582	0	43	-1.0	-55.55	384.77	0.05	-55.50
CCCC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300008098583	0	41	-1.0	-53.85	353.59	4.27	-49.58
COCCC(NS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300008098584	0	36	-1.0	-45.72	316.05	1.94	-43.78
COCCC(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300008098585	0	36	-1.0	-51.08	338.81	2.04	-49.04
COCCC(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300008098586	0	35	-1.0	-50.65	328.43	3.26	-47.39
COCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300008098587	0	46	-1.0	-52.48	399.30	5.57	-46.91
COCCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008098588	0	36	-1.0	-51.27	335.17	1.84	-49.43
COCCC(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300008098589	0	47	-1.0	-53.97	362.93	5.14	-48.83
COCCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008098590	0	41	-1.0	-53.21	351.73	2.01	-51.20
COCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300008098591	0	48	-1.0	-44.34	378.17	4.24	-40.10
COCCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008098592	0	37	-1.0	-59.87	333.36	3.24	-56.63
COCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300008098593	0	36	-1.0	-40.49	321.38	2.82	-37.67
COCCC(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300008098594	0	50	-1.0	-44.61	391.89	5.96	-38.65
COCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008098595	0	35	-1.0	-50.44	327.89	3.06	-47.38
COCCC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300008098596	0	42	-1.0	-54.04	351.93	4.55	-49.49
COCCC(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300008098597	0	40	-1.0	-44.68	331.43	1.21	-43.47
COCCC(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300008098598	0	40	-1.0	-53.24	347.88	1.25	-51.99
COCCC(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300008098599	0	39	-1.0	-46.32	335.53	4.04	-42.28
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300008098600	0	40	-1.0	-44.16	338.39	4.41	-39.75
COCCC(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008098601	0	37	-1.0	-53.26	324.87	1.93	-51.33
COCCC(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300008098602	0	47	-1.0	-53.57	392.41	5.58	-47.99
CCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1OCC	REAL300008098603	0	46	-1.0	-52.60	391.34	3.12	-49.48
COCCC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008098604	0	37	-1.0	-56.81	343.14	-2.97	-59.78
COCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300008098605	0	40	-1.0	-59.03	346.64	4.09	-54.94
COCCC(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300008098606	0	40	-1.0	-61.52	350.50	3.49	-58.03
COCCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008098607	0	38	-1.0	-49.00	336.77	2.91	-46.09
COCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300008098608	0	36	-1.0	-41.05	318.45	2.43	-38.62
COCCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008098609	0	37	-1.0	-49.56	343.86	-2.89	-52.45
COCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008098610	0	44	-1.0	-49.77	398.99	-0.02	-49.79
COCCC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300008098611	0	40	-1.0	-55.75	354.51	3.60	-52.15
COCCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300008098612	0	41	-1.0	-52.18	336.23	2.97	-49.21
COCCC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300008098613	0	40	-1.0	-54.95	343.58	3.26	-51.69
COCCC(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008098614	0	40	-1.0	-58.53	342.54	4.79	-53.74
COCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008098615	0	43	-1.0	-49.51	385.22	0.15	-49.36
COCCC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008098616	0	44	-1.0	-66.61	375.67	1.43	-65.18
COCCC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008098617	0	38	-1.0	-58.92	349.88	-0.42	-59.34
COCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008098618	0	42	-1.0	-56.30	351.75	5.84	-50.46
COCCC(NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300008098619	0	43	-1.0	-42.03	345.33	2.68	-39.35
COCCC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008098620	0	38	-1.0	-46.12	325.47	4.29	-41.83
COCCC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008098621	0	42	-1.0	-54.48	363.35	5.46	-49.02
COCCC(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300008098622	0	35	-1.0	-40.37	305.36	2.94	-37.43
COCCC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008098623	0	46	-1.0	-54.67	381.54	4.19	-50.48
COCCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008098624	0	33	-1.0	-47.22	301.17	0.50	-46.72
COCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300008098625	0	36	-1.0	-40.53	316.81	2.72	-37.81
COCCC(NS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300008098626	0	36	-1.0	-54.01	318.43	1.37	-52.64
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300008098627	0	47	-1.0	-53.40	379.40	4.86	-48.54
COCCC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300008098628	0	35	-1.0	-54.08	324.38	3.18	-50.90
COCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300008098629	0	42	-1.0	-52.59	358.17	2.92	-49.67
CCC1=CC=CC=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098630	0	38	-1.0	-55.52	317.57	3.75	-51.77
COCCC(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300008098631	0	33	-1.0	-63.68	298.79	0.94	-62.74
COCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008098632	0	37	-1.0	-43.74	340.14	4.48	-39.26
COCCC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008098633	0	37	-1.0	-51.05	326.95	2.72	-48.33
COCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008098634	0	43	-1.0	-54.14	394.44	5.46	-48.68
COCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300008098635	0	38	-1.0	-39.90	328.25	2.88	-37.02
COCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300008098636	0	36	-1.0	-51.29	324.86	1.42	-49.87
COCCC(NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300008098637	0	35	-1.0	-54.74	315.64	2.78	-51.96
COCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008098638	0	43	-1.0	-51.49	394.36	5.44	-46.05
COCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300008098639	0	47	-1.0	-52.81	407.37	4.20	-48.61
COCCC(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300008098640	0	59	-1.0	-43.20	445.48	8.02	-35.18
COCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300008098641	0	48	-1.0	-55.76	397.37	5.28	-50.48
COCCC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008098642	0	35	-1.0	-39.14	340.89	3.73	-35.41
COCCC(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300008098643	0	42	-1.0	-56.13	356.87	3.70	-52.43
COCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008098644	0	37	-1.0	-38.93	327.31	3.55	-35.38
COCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008098645	0	37	-1.0	-43.08	321.67	3.37	-39.71
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098646	0	40	-1.0	-40.90	345.64	4.45	-36.45
COCCC(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300008098647	0	44	-1.0	-53.79	370.14	4.76	-49.03
COCCC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300008098648	0	42	-1.0	-53.85	365.52	2.58	-51.27
COCCC(NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300008098649	0	44	-1.0	-42.39	357.79	-0.57	-42.96
COCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300008098650	0	35	-1.0	-40.34	317.87	3.46	-36.88
COCCC(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300008098651	0	42	-1.0	-45.93	363.55	3.01	-42.92
COCCC(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300008098652	0	48	-1.0	-53.00	400.82	4.40	-48.60
COCCC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008098653	0	46	-1.0	-52.40	383.81	4.27	-48.13
COCCC(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300008098654	0	45	-1.0	-53.19	381.86	3.79	-49.40
CCCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300008098655	0	42	-1.0	-53.15	361.75	3.10	-50.05
COCCC(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300008098656	0	36	-1.0	-51.05	334.43	1.93	-49.12
COCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300008098657	0	36	-1.0	-52.29	344.43	2.18	-50.11
COCCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300008098658	0	39	-1.0	-53.24	338.71	2.09	-51.15
COCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300008098659	0	45	-1.0	-52.81	378.50	3.64	-49.17
COCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300008098660	0	39	-1.0	-43.47	330.73	2.24	-41.23
COCCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300008098661	0	43	-1.0	-55.89	374.12	1.55	-54.34
COCCC(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300008098662	0	35	-1.0	-57.53	318.10	2.79	-54.74
COCCC(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008098663	0	35	-1.0	-40.01	324.29	3.62	-36.39
COCCC(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300008098664	0	40	-1.0	-48.88	335.39	4.88	-44.00
COCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300008098665	0	41	-1.0	-52.20	359.67	0.40	-51.80
COCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300008098666	0	44	-1.0	-55.20	397.94	-0.08	-55.28
COCCC(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300008098667	0	34	-1.0	-43.79	315.20	0.70	-43.09
COCCC(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300008098668	0	35	-1.0	-53.43	325.07	3.40	-50.03
COCCC(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300008098669	0	36	-1.0	-50.33	324.63	1.45	-48.88
COCCC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008098670	0	42	-1.0	-46.06	363.82	5.57	-40.49
COCCC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008098671	0	35	-1.0	-55.50	345.98	3.78	-51.72
COCCC(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300008098672	0	38	-1.0	-45.74	367.16	2.66	-43.08
COCCC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300008098673	0	52	-1.0	-52.36	423.75	5.68	-46.68
CNC(=O)C1=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=CN1C	REAL300008098674	0	40	-1.0	-55.92	353.95	-0.28	-56.20
COCCC(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300008098675	0	42	-1.0	-44.72	345.10	2.92	-41.80
COCCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008098676	0	43	-1.0	-48.06	374.20	6.24	-41.82
COCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300008098677	0	42	-1.0	-55.25	350.62	2.93	-52.32
COCCC(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300008098678	0	40	-1.0	-55.09	335.30	3.26	-51.83
COCCC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300008098679	0	37	-1.0	-46.32	320.87	2.52	-43.80
CCN1C=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008098680	0	37	-1.0	-54.06	339.56	3.02	-51.04
COCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008098681	0	39	-1.0	-53.69	360.10	2.74	-50.95
COCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008098682	0	46	-1.0	-53.81	400.43	5.34	-48.47
CCC(=O)C1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300008098683	0	40	-1.0	-59.03	352.01	3.34	-55.69
COCCC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008098684	0	42	-1.0	-46.32	375.95	3.69	-42.63
COCCC(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300008098685	0	35	-1.0	-71.58	318.59	1.29	-70.29
COCCC(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300008098686	0	54	-1.0	-42.80	422.64	4.93	-37.87
COCCC(NS(=O)(=O)CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300008098687	0	38	-1.0	-43.20	330.38	3.43	-39.77
COCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008098688	0	40	-1.0	-58.05	366.24	-1.33	-59.38
COCCC(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300008098689	0	35	-1.0	-43.08	318.71	2.87	-40.21
COCCC(NS(=O)(=O)CC1=CC=CC=C1C)C(=O)[O-]	REAL300008098690	0	38	-1.0	-57.40	328.35	3.36	-54.04
CCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C2=CC=CC=C12	REAL300008098691	0	45	-1.0	-55.53	378.32	4.62	-50.91
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098692	0	42	-1.0	-44.08	340.83	3.65	-40.43
COCCC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008098693	0	37	-1.0	-61.41	337.21	2.24	-59.17
COCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008098694	0	39	-1.0	-49.81	350.54	3.26	-46.55
CCOCCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300008098695	0	46	-1.0	-55.68	395.73	2.53	-53.15
CCCCCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300008098696	0	48	-1.0	-53.29	404.99	4.64	-48.65
COCCC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300008098697	0	42	-1.0	-43.99	340.23	4.64	-39.35
COCCC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300008098698	0	36	-1.0	-51.83	345.33	3.54	-48.29
COCCC(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300008098699	0	37	-1.0	-42.78	323.70	1.39	-41.39
COCCC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008098700	0	40	-1.0	-53.21	352.20	3.34	-49.87
COCCC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008098701	0	37	-1.0	-59.66	337.44	2.23	-57.43
CCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C(C)=C1	REAL300008098702	0	42	-1.0	-42.81	349.76	3.09	-39.72
COCCC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008098703	0	36	-1.0	-55.61	325.28	2.17	-53.44
COCCC(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300008098704	0	36	-1.0	-52.44	329.14	3.09	-49.35
COCCC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008098705	0	38	-1.0	-42.91	351.36	3.82	-39.09
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098706	0	43	-1.0	-42.03	359.15	3.89	-38.14
CCN1C=C(S(=O)(=O)NC(CCOC)C(=O)[O-])N=C1C	REAL300008098707	0	38	-1.0	-49.68	333.26	1.86	-47.82
COCCC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008098708	0	38	-1.0	-47.04	331.19	1.78	-45.26
COCCC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300008098709	0	37	-1.0	-47.41	326.37	2.58	-44.83
COCCC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300008098710	0	44	-1.0	-46.06	377.66	3.98	-42.08
COCCC(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300008098711	0	38	-1.0	-54.94	343.34	3.58	-51.36
COCCC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300008098712	0	38	-1.0	-45.36	360.55	2.81	-42.55
COCCC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008098713	0	41	-1.0	-56.67	353.76	3.67	-53.00
COCCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300008098714	0	40	-1.0	-50.94	355.51	1.76	-49.18
COCCC(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300008098715	0	39	-1.0	-44.56	345.04	1.84	-42.72
COCCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008098716	0	43	-1.0	-63.09	360.67	3.51	-59.58
COCCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008098717	0	35	-1.0	-56.15	326.13	3.22	-52.93
COCCC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300008098718	0	40	-1.0	-56.52	347.99	2.73	-53.79
COCCC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008098719	0	35	-1.0	-46.33	339.21	3.71	-42.62
COCCC(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008098720	0	40	-1.0	-53.21	345.96	2.69	-50.52
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098721	0	44	-1.0	-41.52	340.32	5.07	-36.45
COCCC(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300008098722	0	44	-1.0	-60.12	373.28	0.96	-59.16
COCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300008098723	0	43	-1.0	-53.04	394.36	5.44	-47.60
COCCC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008098724	0	38	-1.0	-47.85	338.69	3.36	-44.49
COCCC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300008098725	0	38	-1.0	-45.36	370.87	3.26	-42.10
COCCC(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300008098726	0	41	-1.0	-55.53	365.32	1.14	-54.39
COCCC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008098727	0	35	-1.0	-46.62	324.42	0.93	-45.69
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008098728	0	35	-1.0	-49.33	317.48	2.50	-46.83
COCCC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300008098729	0	35	-1.0	-44.19	313.76	0.75	-43.44
COCCC(NS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300008098730	0	35	-1.0	-43.08	314.89	-1.21	-44.29
COCCC(NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300008098731	0	36	-1.0	-54.00	309.43	1.31	-52.69
COCCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300008098732	0	40	-1.0	-53.51	342.66	2.70	-50.81
COCCC(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300008098733	0	42	-1.0	-47.34	369.68	3.88	-43.46
COCCC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008098734	0	40	-1.0	-53.88	362.73	3.18	-50.70
COCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300008098735	0	37	-1.0	-49.67	333.37	3.24	-46.43
COCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300008098736	0	43	-1.0	-58.37	377.51	2.84	-55.53
COCCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008098737	0	34	-1.0	-47.62	321.97	1.62	-46.00
COCCC(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300008098738	0	40	-1.0	-55.51	340.45	2.48	-53.03
COCCC(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300008098739	0	41	-1.0	-54.88	356.42	4.98	-49.90
COCCC(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300008098740	0	33	-1.0	-59.80	299.90	0.38	-59.42
COCCC(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300008098741	0	40	-1.0	-54.63	340.31	2.45	-52.18
COCCC(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300008098742	0	37	-1.0	-48.18	324.16	1.89	-46.29
COCCC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300008098743	0	37	-1.0	-58.31	335.91	2.12	-56.19
COCCC(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300008098744	0	37	-1.0	-45.31	323.52	1.93	-43.38
COCCC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008098745	0	38	-1.0	-55.79	351.03	4.06	-51.73
COCCC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008098746	0	44	-1.0	-54.32	363.37	2.61	-51.71
COCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008098747	0	34	-1.0	-42.60	324.70	1.37	-41.23
COCCC(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300008098748	0	40	-1.0	-62.56	341.42	2.62	-59.94
COCCC(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008098749	0	40	-1.0	-49.37	345.44	4.09	-45.28
COCCC(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300008098750	0	40	-1.0	-50.54	340.60	5.01	-45.53
COCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300008098751	0	40	-1.0	-42.55	346.51	4.02	-38.53
COCCC(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008098752	0	42	-1.0	-57.02	363.80	2.84	-54.18
COCCC(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300008098753	0	35	-1.0	-52.46	313.87	-0.49	-52.95
COCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008098754	0	41	-1.0	-43.64	360.70	3.75	-39.89
COCCC(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300008098755	0	39	-1.0	-44.51	339.20	4.23	-40.28
COCCC(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300008098756	0	40	-1.0	-48.12	348.96	0.73	-47.39
COCCC(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300008098757	0	44	-1.0	-41.81	354.58	3.75	-38.06
COCCC(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300008098758	0	38	-1.0	-55.43	327.33	1.56	-53.87
COCCC(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300008098759	0	35	-1.0	-57.67	317.62	2.44	-55.23
COCCC(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300008098760	0	36	-1.0	-50.14	334.44	1.93	-48.21
COCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008098761	0	40	-1.0	-61.80	337.83	3.64	-58.16
CCC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1CC	REAL300008098762	0	44	-1.0	-54.49	365.97	4.64	-49.85
COCCC(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008098763	0	40	-1.0	-40.68	345.04	4.37	-36.31
COCCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300008098764	0	42	-1.0	-46.90	346.10	3.63	-43.27
COCCC(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300008098765	0	35	-1.0	-54.53	322.63	2.48	-52.05
COCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300008098766	0	33	-1.0	-50.38	310.46	0.06	-50.32
CCC1=NC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])S1	REAL300008098767	0	34	-1.0	-51.13	319.88	0.69	-50.44
COCCC(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300008098768	0	39	-1.0	-46.49	336.49	1.92	-44.57
COCCC(NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300008098769	0	35	-1.0	-54.16	314.68	2.43	-51.73
COCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300008098770	0	38	-1.0	-60.98	334.25	3.59	-57.39
COCCC(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300008098771	0	35	-1.0	-48.11	315.49	0.74	-47.37
COCCC(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300008098772	0	38	-1.0	-42.35	337.00	3.46	-38.89
COCCC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300008098773	0	39	-1.0	-50.29	345.97	1.88	-48.41
COCCC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300008098774	0	34	-1.0	-58.98	320.76	1.59	-57.39
COCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008098775	0	35	-1.0	-56.23	329.29	3.29	-52.94
COCCC(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300008098776	0	35	-1.0	-50.68	324.40	3.17	-47.51
COCCC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300008098777	0	38	-1.0	-52.69	338.09	3.12	-49.57
COCCC(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300008098778	0	41	-1.0	-54.60	375.40	3.52	-51.08
COCCC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300008098779	0	40	-1.0	-48.25	341.01	3.31	-44.94
COCCC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300008098780	0	39	-1.0	-48.60	355.09	-0.02	-48.62
COCCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300008098781	0	41	-1.0	-51.40	338.37	2.76	-48.64
COCCC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300008098782	0	35	-1.0	-41.81	328.85	3.28	-38.53
CCC(C)OC1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300008098783	0	45	-1.0	-45.92	380.00	3.78	-42.14
COCCC(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300008098784	0	45	-1.0	-41.14	362.32	2.38	-38.76
COCCC(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300008098785	0	48	-1.0	-42.82	376.89	3.09	-39.73
COCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300008098786	0	46	-1.0	-52.05	406.63	5.40	-46.65
CCOC(CS(=O)(=O)NC(CCOC)C(=O)[O-])C1CC1	REAL300008098787	0	42	-1.0	-58.64	353.12	2.33	-56.31
CCCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1C(C)C	REAL300008098788	0	51	-1.0	-53.58	420.38	5.12	-48.46
CCC1=NC(S(=O)(=O)NC(CCOC)C(=O)[O-])=CN1CC1CC1	REAL300008098789	0	45	-1.0	-56.01	378.50	4.41	-51.60
COCCC(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300008098790	0	35	-1.0	-44.09	329.72	1.65	-42.44
COCCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008098791	0	40	-1.0	-50.30	349.39	4.45	-45.85
COCCC(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300008098792	0	39	-1.0	-50.38	332.95	1.86	-48.52
COCCC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300008098793	0	45	-1.0	-52.62	382.70	4.02	-48.60
COCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300008098794	0	35	-1.0	-42.61	330.57	0.79	-41.82
COCCC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008098795	0	43	-1.0	-45.24	390.56	6.22	-39.02
COCCC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300008098796	0	42	-1.0	-58.28	354.07	5.40	-52.88
CCC1=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C(C)C=C1OC	REAL300008098797	0	45	-1.0	-55.63	372.50	3.65	-51.98
COCCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008098798	0	38	-1.0	-50.25	360.40	3.92	-46.33
COCCC(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008098799	1	34	-1.0	-61.36	317.50	1.08	-60.28
COCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300008098800	0	41	-1.0	-47.37	337.88	5.15	-42.22
COCCC(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300008098801	0	41	-1.0	-43.01	356.88	0.65	-42.36
COCCC(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300008098802	0	36	-1.0	-52.05	322.82	2.22	-49.83
CCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1C(C)C	REAL300008098803	0	48	-1.0	-54.05	398.88	4.32	-49.73
COCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300008098804	0	44	-1.0	-54.28	367.38	4.30	-49.98
COCCC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008098805	0	51	-1.0	-57.03	414.42	6.58	-50.45
COCCC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300008098806	0	42	-1.0	-50.14	345.48	2.11	-48.03
COCCC(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300008098807	0	44	-1.0	-56.94	354.24	2.20	-54.74
COCCC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300008098808	0	42	-1.0	-46.75	355.11	2.45	-44.30
COCCC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300008098809	0	35	-1.0	-45.42	319.53	0.87	-44.55
COCCC(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008098810	0	39	-1.0	-45.26	343.55	2.19	-43.07
C=CCCC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300008098811	0	42	-1.0	-53.61	366.16	4.86	-48.75
CCC1=NN(C)C=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098812	0	38	-1.0	-46.95	326.68	1.09	-45.86
CCCCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1C(C)C	REAL300008098813	0	54	-1.0	-52.16	442.12	5.89	-46.27
COCCC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008098814	0	36	-1.0	-43.41	338.61	3.83	-39.58
CCCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1C(C)(C)C	REAL300008098815	0	54	-1.0	-54.13	433.19	5.77	-48.36
CCCOC1=CC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C=C1CC	REAL300008098816	0	48	-1.0	-53.37	403.45	4.59	-48.78
COCCC(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300008098817	0	38	-1.0	-41.16	332.39	4.14	-37.02
COCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008098818	0	38	-1.0	-56.00	349.89	3.96	-52.04
COCCC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008098819	0	36	-1.0	-54.49	336.54	3.70	-50.79
CCCC1=CC=CC=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098820	0	41	-1.0	-55.81	338.93	4.51	-51.30
COCCC(NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300008098821	0	35	-1.0	-46.14	297.80	-0.44	-46.58
COCCC(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008098822	0	48	-1.0	-51.99	403.66	4.82	-47.17
COCCC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300008098823	0	37	-1.0	-50.90	326.42	2.67	-48.23
COCCC(NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300008098824	0	35	-1.0	-40.55	307.98	2.71	-37.84
COCCC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300008098825	0	39	-1.0	-54.86	339.94	1.75	-53.11
COCCC(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300008098826	0	39	-1.0	-49.41	333.10	1.79	-47.62
COCCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300008098827	0	42	-1.0	-41.93	343.70	2.44	-39.49
COCCC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300008098828	0	43	-1.0	-44.92	348.87	0.46	-44.46
COCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300008098829	0	38	-1.0	-52.96	356.83	2.99	-49.97
COCCC(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300008098830	0	39	-1.0	-47.04	327.00	2.01	-45.03
COCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300008098831	0	48	-1.0	-57.52	381.70	3.55	-53.97
COCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300008098832	0	42	-1.0	-42.94	352.28	3.67	-39.27
COCCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300008098833	0	40	-1.0	-59.17	346.37	2.72	-56.45
COCCC(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008098834	0	40	-1.0	-51.15	358.49	1.76	-49.39
COCCC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300008098835	0	38	-1.0	-46.57	340.48	2.73	-43.84
COCCC(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300008098836	0	37	-1.0	-64.06	330.59	1.67	-62.39
COCCC(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300008098837	0	41	-1.0	-42.46	335.51	2.13	-40.33
COCCC(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300008098838	0	33	-1.0	-50.33	303.95	0.85	-49.48
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300008098839	0	35	-1.0	-55.83	328.58	3.50	-52.33
COCCC(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300008098840	0	39	-1.0	-46.53	340.46	1.88	-44.65
COCCC(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300008098841	0	41	-1.0	-42.60	339.33	4.31	-38.29
COCCC(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300008098842	0	40	-1.0	-48.95	345.72	1.95	-47.00
COCCC(NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300008098843	0	35	-1.0	-53.47	319.07	2.36	-51.11
COCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300008098844	0	45	-1.0	-46.91	373.22	2.89	-44.02
COCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300008098845	0	44	-1.0	-51.46	364.52	2.55	-48.91
CCCCN1C=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C(C)=N1	REAL300008098846	0	44	-1.0	-47.24	378.12	2.79	-44.45
COCCC(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300008098847	0	39	-1.0	-47.62	345.46	1.95	-45.67
COCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300008098848	0	36	-1.0	-55.76	328.41	1.63	-54.13
COCCC(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300008098849	0	37	-1.0	-56.74	321.12	0.52	-56.22
COCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300008098850	0	38	-1.0	-41.50	341.11	4.14	-37.36
COCCC(NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300008098851	0	43	-1.0	-54.08	343.34	2.43	-51.65
COCCC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300008098852	0	38	-1.0	-49.92	357.93	3.23	-46.69
COCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300008098853	0	42	-1.0	-47.40	361.56	2.51	-44.89
COCCC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300008098854	0	50	-1.0	-44.19	400.65	6.03	-38.16
COCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300008098855	0	38	-1.0	-40.74	360.83	4.03	-36.71
COCCC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300008098856	0	42	-1.0	-46.37	361.70	2.74	-43.63
COCCC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300008098857	0	36	-1.0	-45.24	319.82	3.10	-42.14
COCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300008098858	0	43	-1.0	-57.19	385.09	4.89	-52.30
COCCC(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008098859	0	41	-1.0	-71.85	352.85	3.44	-68.41
CCCC1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300008098860	0	41	-1.0	-53.96	353.33	4.28	-49.68
COCCC(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300008098861	0	39	-1.0	-50.95	332.63	1.59	-49.36
COCCC(NS(=O)(=O)C1=C(C)C=CC=C1C)C(=O)[O-]	REAL300008098862	0	38	-1.0	-52.96	315.74	3.63	-49.33
COCCC(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300008098863	0	41	-1.0	-44.22	332.17	1.73	-42.49
COCCC(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300008098864	0	41	-1.0	-45.58	352.24	1.81	-43.77
COCCC(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300008098865	0	39	-1.0	-45.07	337.89	1.14	-43.93
COCCC(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008098866	0	37	-1.0	-47.54	340.19	1.87	-45.67
COCCC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008098867	0	35	-1.0	-39.54	335.12	3.19	-36.35
COCCC(NS(=O)(=O)C1=CC=CC(C)=C1C)C(=O)[O-]	REAL300008098868	0	38	-1.0	-55.42	318.48	3.44	-51.98
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300008098869	0	43	-1.0	-48.43	374.20	4.20	-44.23
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300008098870	0	43	-1.0	-55.62	358.26	5.17	-50.45
COCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300008098871	0	38	-1.0	-51.93	352.40	3.11	-48.82
COCCC(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008098872	0	38	-1.0	-45.01	331.26	2.56	-42.45
COCCC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300008098873	0	32	-1.0	-40.84	303.08	2.34	-38.50
COCCC(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300008098874	0	39	-1.0	-53.54	338.13	4.18	-49.36
COCCC(NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300008098875	0	33	-1.0	-41.75	296.24	1.09	-40.66
COCCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300008098876	0	42	-1.0	-49.50	354.54	2.72	-46.78
CCC(C)N1N=CC=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098877	0	41	-1.0	-51.23	340.12	1.51	-49.72
COCCC(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300008098878	0	46	-1.0	-40.52	354.15	2.95	-37.57
COCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300008098879	0	46	-1.0	-46.07	383.00	1.15	-44.92
COCCC(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300008098880	0	38	-1.0	-44.58	342.84	3.69	-40.89
COCCC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300008098881	0	36	-1.0	-53.49	328.43	1.63	-51.86
COCCC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300008098882	0	47	-1.0	-54.41	384.36	4.72	-49.69
COCCC(NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300008098883	0	33	-1.0	-53.03	313.65	0.53	-52.50
COCCC(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008098884	0	43	-1.0	-52.59	358.59	4.44	-48.15
COCCC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300008098885	0	40	-1.0	-52.96	326.35	1.55	-51.41
COCCC(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300008098886	0	35	-1.0	-43.10	322.65	0.82	-42.28
CCOCC1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300008098887	0	42	-1.0	-44.04	366.54	2.84	-41.20
COCCC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300008098888	0	42	-1.0	-48.46	368.63	3.37	-45.09
COCCC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300008098889	0	45	-1.0	-47.63	376.36	3.08	-44.55
COCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008098890	0	43	-1.0	-52.35	377.59	4.93	-47.42
COCCC(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300008098891	0	35	-1.0	-57.92	306.54	3.07	-54.85
COCCC(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300008098892	0	38	-1.0	-42.65	347.67	3.87	-38.78
COCCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300008098893	0	41	-1.0	-57.77	346.05	4.85	-52.92
COCCC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008098894	0	42	-1.0	-50.47	360.87	3.48	-46.99
COCCC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300008098895	0	36	-1.0	-53.89	328.71	3.35	-50.54
COCCC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008098896	0	36	-1.0	-43.27	343.17	3.93	-39.34
COCCC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008098897	0	36	-1.0	-53.09	343.35	3.92	-49.17
COCCC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300008098898	0	37	-1.0	-42.89	331.74	-3.97	-46.86
COCCC(NS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300008098899	0	35	-1.0	-51.12	313.20	2.46	-48.66
COCCC(NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300008098900	0	38	-1.0	-56.25	319.72	2.37	-53.88
COCCC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300008098901	0	34	-1.0	-53.20	320.07	1.44	-51.76
COCCC(NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300008098902	0	40	-1.0	-55.37	343.63	-0.74	-56.11
COCCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008098903	0	41	-1.0	-59.43	361.69	1.68	-57.75
COCCC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300008098904	0	49	-1.0	-41.61	362.21	4.93	-36.68
COCCC(NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300008098905	0	42	-1.0	-60.91	349.62	1.21	-59.70
COCCC(NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300008098906	0	35	-1.0	-44.47	316.20	-2.27	-46.74
COCCC(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300008098907	0	40	-1.0	-45.64	324.38	2.51	-43.13
COCCC(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300008098908	0	40	-1.0	-53.76	355.87	-1.13	-54.89
COCCC(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300008098909	0	45	-1.0	-58.19	363.31	2.40	-55.79
COCCC(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300008098910	0	42	-1.0	-56.09	359.57	4.34	-51.75
COCCC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008098911	0	36	-1.0	-64.01	336.78	1.09	-62.92
COCCC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300008098912	0	42	-1.0	-42.13	370.48	4.95	-37.18
COCCC(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300008098913	0	41	-1.0	-44.29	342.45	-0.46	-44.75
COCCC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300008098914	0	45	-1.0	-41.98	355.88	4.07	-37.91
COCCC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300008098915	0	36	-1.0	-54.78	333.69	3.41	-51.37
COCCC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300008098916	0	54	-1.0	-54.92	418.53	6.24	-48.68
COCCC(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008098917	0	43	-1.0	-54.72	362.61	3.09	-51.63
COCCC(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300008098918	0	37	-1.0	-40.21	330.15	-0.23	-40.44
COCCC(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300008098919	0	44	-1.0	-44.68	347.85	2.55	-42.13
COCCC(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300008098920	0	43	-1.0	-41.61	363.52	3.84	-37.77
COCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300008098921	0	36	-1.0	-45.49	337.55	2.96	-42.53
COCCC(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008098922	0	36	-1.0	-44.85	327.52	1.68	-43.17
COCCC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300008098923	0	36	-1.0	-56.78	334.63	1.70	-55.08
COCCC(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300008098924	0	38	-1.0	-52.35	333.28	1.98	-50.37
COCCC(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300008098925	0	39	-1.0	-50.78	343.69	3.89	-46.89
COCCC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300008098926	0	41	-1.0	-41.97	366.58	2.57	-39.40
COCCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008098927	0	45	-1.0	-54.86	377.92	4.39	-50.47
COCCC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008098928	0	43	-1.0	-45.97	378.31	4.99	-40.98
COCCC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300008098929	0	38	-1.0	-65.67	318.60	3.29	-62.38
COCCC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300008098930	0	33	-1.0	-44.02	316.32	1.02	-43.00
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300008098931	0	43	-1.0	-45.33	373.26	3.78	-41.55
CCN1C=C(S(=O)(=O)NC(CCOC)C(=O)[O-])C(C2CC2)=N1	REAL300008098932	0	42	-1.0	-48.20	366.87	2.80	-45.40
COCCC(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300008098933	0	36	-1.0	-64.09	328.39	1.48	-62.61
COCCC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300008098934	0	38	-1.0	-53.08	351.77	4.82	-48.26
COCCC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008098935	0	42	-1.0	-43.65	378.64	6.02	-37.63
COCCC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300008098936	0	31	-1.0	-49.43	316.58	0.06	-49.37
CCC1=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=CC=C1Br	REAL300008098937	0	38	-1.0	-50.96	348.19	3.92	-47.04
COCCC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300008098938	0	45	-1.0	-49.60	376.42	3.30	-46.30
COCCC(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300008098939	0	29	-1.0	-39.86	298.78	1.65	-38.21
COCCC1=CC=C(OC)C(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300008098940	0	46	-1.0	-43.60	376.75	2.71	-40.89
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300008098941	0	38	-1.0	-45.15	343.24	4.85	-40.30
COCCC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300008098942	0	40	-1.0	-47.26	335.54	-0.26	-47.52
COCCC(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300008098943	0	39	-1.0	-43.80	330.69	4.28	-39.52
COCCC(NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300008098944	0	43	-1.0	-41.91	342.41	2.23	-39.68
COCCC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300008098945	0	47	-1.0	-53.22	391.06	2.44	-50.78
COCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300008098946	0	35	-1.0	-42.79	329.99	-0.23	-43.02
COCCC(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300008098947	0	38	-1.0	-50.26	336.34	-0.52	-50.78
COCCC(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300008098948	0	41	-1.0	-45.30	350.68	2.24	-43.06
COCCC(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300008098949	0	41	-1.0	-47.46	353.72	1.83	-45.63
COCCC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300008098950	0	42	-1.0	-38.73	339.84	-0.39	-39.12
COCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008098951	0	37	-1.0	-40.27	338.10	4.20	-36.07
COCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300008098952	0	43	-1.0	-48.31	362.37	2.53	-45.78
COCCC(NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300008098953	0	38	-1.0	-49.54	330.07	1.32	-48.22
COCCC(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300008098954	0	39	-1.0	-42.34	336.33	1.99	-40.35
COCCC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300008098955	0	39	-1.0	-57.50	337.26	2.84	-54.66
COCCC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300008098956	0	34	-1.0	-47.18	315.91	0.99	-46.19
COCCC(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300008098957	0	37	-1.0	-63.77	323.62	2.44	-61.33
COCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300008098958	0	41	-1.0	-44.66	346.64	1.71	-42.95
COCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300008098959	0	46	-1.0	-52.42	397.76	5.64	-46.78
COCCC(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008098960	0	37	-1.0	-61.52	322.11	2.95	-58.57
COCCC(NS(=O)(=O)C1=NC=C(C)C=C1C)C(=O)[O-]	REAL300008098961	0	37	-1.0	-47.42	320.06	1.65	-45.77
COCCC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300008098962	0	35	-1.0	-51.03	311.45	1.43	-49.60
COCCC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300008098963	0	40	-1.0	-47.05	339.31	-2.22	-49.27
COCCC(NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300008098964	0	39	-1.0	-56.30	309.00	0.69	-55.61
COCCC(NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300008098965	0	38	-1.0	-58.00	327.14	1.53	-56.47
COCCC(NS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300008098966	0	35	-1.0	-56.46	314.49	-0.51	-56.97
COCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300008098967	0	39	-1.0	-45.29	334.54	2.72	-42.57
COCCC(NS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300008098968	0	35	-1.0	-46.07	313.13	-0.58	-46.65
COCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300008098969	0	38	-1.0	-51.87	354.03	0.32	-51.55
COCCC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300008098970	0	37	-1.0	-53.63	324.04	2.43	-51.20
CCOC1=CC=CN=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300008098971	0	38	-1.0	-61.47	332.03	1.38	-60.09
COCCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008098972	0	40	-1.0	-50.82	331.48	3.75	-47.07
COCCC(NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300008098973	0	36	-1.0	-48.22	308.18	1.54	-46.68
COCCC(NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300008098974	0	34	-1.0	-50.84	302.46	0.44	-50.40
COCCC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300008098975	0	34	-1.0	-61.48	319.36	1.07	-60.41
COCCC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300008098976	0	39	-1.0	-45.65	347.59	2.58	-43.07
COCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300008098977	0	45	-1.0	-45.77	365.93	4.25	-41.52
O=C([O-])C1=CC=C(S(=O)(=O)NCC2OCC3=CC=CC=C32)C=C1	REAL300008098978	0	37	-1.0	-49.75	330.04	4.49	-45.26
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2OCC3=CC=CC=C32)=C1	REAL300008098979	0	37	-1.0	-54.15	330.06	4.48	-49.67
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1OCC2=CC=CC=C21	REAL300008098980	0	40	-1.0	-57.05	344.71	5.39	-51.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1OCC2=CC=CC=C21	REAL300008098981	0	41	-1.0	-56.74	350.46	4.30	-52.44
CC1=CC=C(S(=O)(=O)NCC2OCC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300008098982	0	40	-1.0	-52.99	346.07	5.01	-47.98
O=C([O-])C1=C(S(=O)(=O)NCC2OCC3=CC=CC=C32)C=CS1	REAL300008098983	0	34	-1.0	-50.83	313.22	4.23	-46.60
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2OCC3=CC=CC=C32)=C1	REAL300008098984	0	37	-1.0	-54.15	330.06	4.48	-49.67
O=C([O-])C1=CC=C(S(=O)(=O)NCC2OCC3=CC=CC=C32)C=C1	REAL300008098985	0	37	-1.0	-49.75	330.04	4.49	-45.26
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1OCC2=CC=CC=C21	REAL300008098986	0	37	-1.0	-53.02	319.35	5.35	-47.67
O=C([O-])C1=CC(S(=O)(=O)NCC2OCC3=CC=CC=C32)=CN1	REAL300008098987	0	35	-1.0	-52.22	318.58	2.20	-50.02
O=C([O-])CN1C=C(S(=O)(=O)NCC2OCC3=CC=CC=C32)C=N1	REAL300008098988	0	37	-1.0	-52.49	334.28	2.55	-49.94
O=C([O-])C1=CC=C(S(=O)(=O)NCC2OCC3=CC=CC=C32)S1	REAL300008098989	0	34	-1.0	-48.42	322.31	3.61	-44.81
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1OCC2=CC=CC=C21	REAL300008098990	0	34	-1.0	-59.19	305.29	1.49	-57.70
O=C([O-])C1CCCN(S(=O)(=O)NCC2OCC3=CC=CC=C32)C1	REAL300008098991	0	42	-1.0	-48.25	346.19	3.50	-44.75
O=C([O-])C1CCN(S(=O)(=O)NCC2OCC3=CC=CC=C32)CC1	REAL300008098992	0	42	-1.0	-50.23	346.39	3.57	-46.66
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1OCC2=CC=CC=C21	REAL300008098993	0	37	-1.0	-53.02	319.35	5.35	-47.67
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCC1OCC2=CC=CC=C21	REAL300008098994	0	37	-1.0	-46.67	336.06	5.87	-40.80
O=C([O-])C1=CC=C(S(=O)(=O)NCC2OCC3=CC=CC=C32)O1	REAL300008098995	0	34	-1.0	-50.56	314.46	2.81	-47.75
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2OCC3=CC=CC=C32)O1	REAL300008098996	0	37	-1.0	-50.68	333.04	3.32	-47.36
O=C([O-])C1CCCN1S(=O)(=O)NCC1OCC2=CC=CC=C21	REAL300008098997	0	39	-1.0	-60.74	329.86	3.63	-57.11
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2OCC3=CC=CC=C32)C=C1	REAL300008098998	0	40	-1.0	-60.44	353.84	5.21	-55.23
O=C([O-])C1CCN(S(=O)(=O)NCC2OCC3=CC=CC=C32)CC1	REAL300008098999	0	42	-1.0	-50.23	346.39	3.57	-46.66
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2OCC3=CC=CC=C32)=C1	REAL300008099000	0	40	-1.0	-62.24	353.85	5.19	-57.05
COC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102772	0	36	-1.0	-42.26	303.63	4.43	-37.83
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102773	0	43	-1.0	-63.22	369.41	4.31	-58.91
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300008102774	0	43	-1.0	-57.55	368.69	1.36	-56.19
CC1(C(NS(=O)(=O)N2CCC3(CCCCC3)CC2)C(=O)[O-])CC1	REAL300008102775	0	50	-1.0	-43.88	372.11	5.98	-37.90
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=CC=C2C=C1	REAL300008102776	0	40	-1.0	-52.33	326.43	5.72	-46.61
CC1(C(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300008102777	0	40	-1.0	-69.80	344.18	6.21	-63.59
CC1(C(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)C(=O)[O-])CC1	REAL300008102778	0	43	-1.0	-56.25	355.35	2.82	-53.43
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102779	0	46	-1.0	-47.09	402.47	5.49	-41.60
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102780	0	46	-1.0	-45.82	391.65	5.60	-40.22
CCCN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102781	0	38	-1.0	-50.65	331.35	5.02	-45.63
COCCOCCOCCS(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102782	0	46	-1.0	-58.96	387.85	1.63	-57.33
CC(COC1CCCC1)CS(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102783	0	48	-1.0	-59.08	380.20	5.68	-53.40
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102784	0	39	-1.0	-53.70	345.94	4.58	-49.12
CC1(C(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)C(=O)[O-])CC1	REAL300008102785	0	40	-1.0	-53.41	338.32	2.08	-51.33
COC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102786	0	36	-1.0	-53.99	330.33	4.23	-49.76
CC1(C(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C(=O)[O-])CC1	REAL300008102787	0	36	-1.0	-43.80	320.07	4.47	-39.33
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1[N+](=O)[O-]	REAL300008102788	0	38	-1.0	-51.76	335.01	5.06	-46.70
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102789	0	38	-1.0	-40.61	336.45	6.27	-34.34
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102790	0	38	-1.0	-41.76	336.81	6.23	-35.53
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1C(F)(F)F	REAL300008102791	0	38	-1.0	-51.35	331.79	5.78	-45.57
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102792	0	41	-1.0	-44.46	334.81	6.44	-38.02
CC1(C(NS(=O)(=O)CCCN2CCOCC2)C(=O)[O-])CC1	REAL300008102793	0	44	-1.0	-41.69	355.97	1.21	-40.48
CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102794	0	39	-1.0	-55.91	330.82	4.54	-51.37
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=N1	REAL300008102795	0	39	-1.0	-52.82	337.89	1.90	-50.92
CC1(C(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C(=O)[O-])CC1	REAL300008102796	0	39	-1.0	-57.43	341.74	4.81	-52.62
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1C	REAL300008102797	0	59	-1.0	-46.96	471.03	8.81	-38.15
CC1(C(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])CC1	REAL300008102798	0	40	-1.0	-59.47	350.71	6.44	-53.03
CC1(C(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)C(=O)[O-])CC1	REAL300008102799	0	37	-1.0	-53.82	318.52	4.64	-49.18
CC1(C(NS(=O)(=O)CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300008102800	0	35	-1.0	-59.28	322.28	5.59	-53.69
CC1(C(NS(=O)(=O)CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300008102801	0	35	-1.0	-57.12	317.59	5.55	-51.57
CC1(C(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C(=O)[O-])CC1	REAL300008102802	0	39	-1.0	-67.01	344.20	2.18	-64.83
CC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102803	0	35	-1.0	-52.81	322.25	5.60	-47.21
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102804	0	35	-1.0	-43.45	316.26	5.61	-37.84
COCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102805	0	39	-1.0	-44.68	329.11	4.50	-40.18
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1Br	REAL300008102806	0	36	-1.0	-52.55	329.40	4.29	-48.26
COC1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Cl	REAL300008102807	0	40	-1.0	-43.13	342.60	4.22	-38.91
CC1(C(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C(=O)[O-])CC1	REAL300008102808	0	35	-1.0	-59.94	322.18	3.35	-56.59
CC1(C(NS(=O)(=O)C2=CN(CC(F)F)N=C2)C(=O)[O-])CC1	REAL300008102809	0	35	-1.0	-59.83	318.30	3.22	-56.61
CC1(C(NS(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])CC1	REAL300008102810	0	43	-1.0	-46.46	361.49	5.54	-40.92
CC1(C(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])CC1	REAL300008102811	0	35	-1.0	-47.20	318.94	3.43	-43.77
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102812	0	43	-1.0	-43.02	334.86	2.32	-40.70
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102813	0	44	-1.0	-58.86	381.05	3.48	-55.38
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102814	0	36	-1.0	-45.28	315.73	5.24	-40.04
CC1(C(NS(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C(=O)[O-])CC1	REAL300008102815	0	40	-1.0	-57.22	356.31	1.04	-56.18
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102816	0	46	-1.0	-57.23	398.69	2.12	-55.11
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102817	0	43	-1.0	-46.52	354.45	3.94	-42.58
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1F	REAL300008102818	0	43	-1.0	-56.53	377.76	1.93	-54.60
CCC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102819	0	41	-1.0	-59.37	346.03	6.47	-52.90
CC1(C(NS(=O)(=O)CCC2=CC=CS2)C(=O)[O-])CC1	REAL300008102820	0	35	-1.0	-57.05	312.70	4.86	-52.19
CC1(C(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C(=O)[O-])CC1	REAL300008102821	0	47	-1.0	-58.90	391.11	4.71	-54.19
CC1(C(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C(=O)[O-])CC1	REAL300008102822	0	44	-1.0	-53.11	372.66	4.55	-48.56
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102823	0	41	-1.0	-59.24	359.56	2.69	-56.55
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102824	0	42	-1.0	-53.71	357.93	1.88	-51.83
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300008102825	0	41	-1.0	-59.31	339.40	6.18	-53.13
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Br	REAL300008102826	0	39	-1.0	-56.70	351.27	5.21	-51.49
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C1=CC=CC=C1	REAL300008102827	0	46	-1.0	-59.48	387.67	7.38	-52.10
CC1(C(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C(=O)[O-])CC1	REAL300008102828	0	36	-1.0	-45.07	335.18	4.96	-40.11
COC1=CC=C(Br)C(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102829	0	39	-1.0	-46.07	352.23	4.81	-41.26
CC1(C(NS(=O)(=O)N2CCOC(C)(C)C2)C(=O)[O-])CC1	REAL300008102830	0	41	-1.0	-53.89	325.65	2.52	-51.37
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C2S1	REAL300008102831	0	46	-1.0	-54.98	392.52	6.27	-48.71
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102832	0	39	-1.0	-43.14	339.41	5.32	-37.82
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C21	REAL300008102833	0	44	-1.0	-56.08	367.99	5.80	-50.28
CCS(=O)(=O)NCCS(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102834	0	39	-1.0	-61.48	341.09	-0.99	-62.47
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)OC2=CC=C(F)C=C12	REAL300008102835	0	38	-1.0	-49.54	336.82	5.68	-43.86
CC1(C(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C(=O)[O-])CC1	REAL300008102836	0	35	-1.0	-44.79	340.60	6.24	-38.55
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC(Cl)=CC=C2S1	REAL300008102837	0	38	-1.0	-59.16	345.82	7.19	-51.97
CC1(C(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C(=O)[O-])CC1	REAL300008102838	0	35	-1.0	-46.15	335.92	6.23	-39.92
CC1(C(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C(=O)[O-])CC1	REAL300008102839	0	38	-1.0	-50.80	340.80	7.23	-43.57
CC1(C(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300008102840	0	38	-1.0	-57.21	338.38	6.06	-51.15
CC1(C(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)C(=O)[O-])CC1	REAL300008102841	0	43	-1.0	-59.49	360.52	5.66	-53.83
CC1(C(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C(=O)[O-])CC1	REAL300008102842	0	46	-1.0	-42.82	377.89	7.63	-35.19
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102843	0	45	-1.0	-59.69	386.04	5.85	-53.84
CC1(C(NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C(=O)[O-])CC1	REAL300008102844	0	43	-1.0	-62.05	379.37	1.38	-60.67
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC=CC(C)=C2S1	REAL300008102845	0	41	-1.0	-53.40	344.82	7.22	-46.18
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1N(C)C	REAL300008102846	0	43	-1.0	-54.48	351.97	4.92	-49.56
CC1(C(NS(=O)(=O)CCC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300008102847	0	38	-1.0	-59.78	340.83	6.25	-53.53
CC1(C(NS(=O)(=O)C2=C3OCCCN3N=C2)C(=O)[O-])CC1	REAL300008102848	0	37	-1.0	-47.50	313.51	1.28	-46.22
CC1(C(NS(=O)(=O)CCOCC2CCCC2)C(=O)[O-])CC1	REAL300008102849	0	45	-1.0	-55.61	364.12	4.78	-50.83
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Cl	REAL300008102850	0	39	-1.0	-41.90	344.05	4.97	-36.93
CC1(C(NS(=O)(=O)CC2=CC=CC(S(C)(=O)=O)=C2)C(=O)[O-])CC1	REAL300008102851	0	41	-1.0	-72.52	363.83	2.54	-69.98
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Cl	REAL300008102852	0	36	-1.0	-52.38	334.71	5.79	-46.59
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102853	0	44	-1.0	-47.73	356.08	4.77	-42.96
CC1(C(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C(=O)[O-])CC1	REAL300008102854	0	40	-1.0	-53.52	348.58	2.81	-50.71
CCC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C12	REAL300008102855	0	39	-1.0	-44.37	345.29	2.00	-42.37
CC1(C(NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C(=O)[O-])CC1	REAL300008102856	0	43	-1.0	-48.43	381.57	4.13	-44.30
CN1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CN=C21	REAL300008102857	0	37	-1.0	-46.68	329.34	3.43	-43.25
CC1(C(NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C(=O)[O-])CC1	REAL300008102858	0	38	-1.0	-54.26	346.70	7.19	-47.07
CCC1=CC(CC)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(CC)=C1	REAL300008102859	0	50	-1.0	-53.83	375.14	8.66	-45.17
CC1(C(NS(=O)(=O)C2=CN3CCCCC3=N2)C(=O)[O-])CC1	REAL300008102860	0	39	-1.0	-57.27	330.86	4.39	-52.88
CC1(C(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C(=O)[O-])CC1	REAL300008102861	0	38	-1.0	-51.95	346.04	2.33	-49.62
CC1(C(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C(=O)[O-])CC1	REAL300008102862	0	41	-1.0	-67.92	346.12	7.75	-60.17
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1F	REAL300008102863	0	39	-1.0	-46.04	332.59	4.61	-41.43
CC1(C(NS(=O)(=O)CC2(C)CCCCC2)C(=O)[O-])CC1	REAL300008102864	0	44	-1.0	-41.85	332.13	5.74	-36.11
CC1(C(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)C(=O)[O-])CC1	REAL300008102865	0	41	-1.0	-46.92	341.81	5.82	-41.10
CC1(C(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])CC1	REAL300008102867	0	40	-1.0	-52.49	346.88	5.53	-46.96
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102868	0	39	-1.0	-54.11	351.34	4.55	-49.56
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(F)=C1	REAL300008102869	0	38	-1.0	-63.21	329.86	5.74	-57.47
CC1(C(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)C(=O)[O-])CC1	REAL300008102871	0	32	-1.0	-41.36	317.54	4.50	-36.86
CC1(C(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)C(=O)[O-])CC1	REAL300008102872	0	45	-1.0	-44.68	372.71	7.56	-37.12
CC(C)(C)C1=CC(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=NO1	REAL300008102873	0	43	-1.0	-58.33	361.26	5.04	-53.29
CC1(C(NS(=O)(=O)CC2CCCS(=O)(=O)C2)C(=O)[O-])CC1	REAL300008102874	0	41	-1.0	-48.41	343.43	1.41	-47.00
CC1(C(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(=O)[O-])CC1	REAL300008102875	0	35	-1.0	-46.19	320.21	4.75	-41.44
CC1=C(CCS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)SC=N1	REAL300008102876	0	37	-1.0	-57.06	326.01	3.49	-53.57
CC1(C(NS(=O)(=O)CC23CCC(CC2)C3)C(=O)[O-])CC1	REAL300008102877	0	42	-1.0	-43.57	332.50	5.67	-37.90
COC1=CC=C2C=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)CCC2=C1	REAL300008102878	0	44	-1.0	-45.61	364.97	5.89	-39.72
CC1(C(NS(=O)(=O)CC23CCC(CC2)CC3)C(=O)[O-])CC1	REAL300008102879	0	45	-1.0	-42.52	339.70	6.24	-36.28
CC(C)(CCS(=O)(=O)NC(C(=O)[O-])C1(C)CC1)S(C)(=O)=O	REAL300008102880	0	43	-1.0	-72.00	352.61	1.43	-70.57
CC1(C(NS(=O)(=O)CC2CCCCC2(F)F)C(=O)[O-])CC1	REAL300008102881	0	41	-1.0	-56.08	332.79	5.48	-50.60
CC1(C(NS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C(=O)[O-])CC1	REAL300008102882	0	39	-1.0	-45.11	332.30	6.32	-38.79
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1[N+](=O)[O-]	REAL300008102883	0	40	-1.0	-62.14	341.92	6.17	-55.97
CC1(C(NS(=O)(=O)C2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300008102884	0	32	-1.0	-52.12	294.12	4.79	-47.33
CC1(C(NS(=O)(=O)C2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300008102885	0	32	-1.0	-51.99	298.68	4.89	-47.10
CC1(C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])CC1	REAL300008102886	0	34	-1.0	-50.72	305.58	4.94	-45.78
CC1(C(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300008102887	0	38	-1.0	-56.83	323.25	6.53	-50.30
CC1(C(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C(=O)[O-])CC1	REAL300008102888	0	34	-1.0	-52.57	307.76	4.99	-47.58
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102889	0	37	-1.0	-62.69	319.92	5.77	-56.92
CC1(C(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300008102890	0	34	-1.0	-50.80	302.39	5.76	-45.04
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102891	0	39	-1.0	-45.69	351.86	5.72	-39.97
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102892	0	39	-1.0	-54.24	328.73	4.49	-49.75
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1C	REAL300008102893	0	44	-1.0	-55.56	338.64	6.95	-48.61
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1	REAL300008102894	0	41	-1.0	-45.06	326.28	6.59	-38.47
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102895	0	47	-1.0	-43.93	373.48	7.58	-36.35
CC1(C(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300008102896	0	35	-1.0	-52.11	316.41	5.29	-46.82
CC1(C(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300008102897	0	35	-1.0	-47.79	304.30	5.79	-42.00
CC1(C(NS(=O)(=O)C2=CC=CC(Cl)=C2)C(=O)[O-])CC1	REAL300008102898	0	32	-1.0	-52.48	294.06	4.79	-47.69
CC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102899	0	37	-1.0	-55.14	319.99	4.72	-50.42
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1[N+](=O)[O-]	REAL300008102900	0	38	-1.0	-52.91	332.87	5.01	-47.90
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102901	0	44	-1.0	-55.16	353.55	6.59	-48.57
CC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102902	0	41	-1.0	-55.28	337.59	6.20	-49.08
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102903	0	43	-1.0	-56.82	372.96	2.27	-54.55
CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102904	0	41	-1.0	-55.38	341.78	6.49	-48.89
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Br	REAL300008102905	0	36	-1.0	-52.84	329.42	4.29	-48.55
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1Br	REAL300008102906	0	35	-1.0	-52.82	319.00	5.50	-47.32
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)=C1	REAL300008102907	0	46	-1.0	-54.94	387.47	7.78	-47.16
CC1(C(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300008102908	0	36	-1.0	-52.48	323.37	4.06	-48.42
CC1=C(C)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1C	REAL300008102909	0	47	-1.0	-56.58	351.01	7.32	-49.26
CC1(C(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)C(=O)[O-])CC1	REAL300008102910	0	41	-1.0	-57.23	340.18	4.21	-53.02
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102911	0	48	-1.0	-45.81	373.44	6.68	-39.13
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1[N+](=O)[O-]	REAL300008102912	0	37	-1.0	-62.25	323.71	5.51	-56.74
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102913	0	36	-1.0	-42.06	318.53	4.98	-37.08
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102914	0	50	-1.0	-45.26	381.08	8.25	-37.01
CC1(C(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300008102915	0	35	-1.0	-51.56	316.12	5.27	-46.29
CC1(C(NS(=O)(=O)C2=CC=C3CCCCC3=C2)C(=O)[O-])CC1	REAL300008102916	0	42	-1.0	-45.88	346.77	6.78	-39.10
COC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102917	0	40	-1.0	-46.14	329.47	3.45	-42.69
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1OC	REAL300008102918	0	40	-1.0	-54.65	336.08	3.47	-51.18
CC1(C(NS(=O)(=O)C2=CC=C3CCCC3=C2)C(=O)[O-])CC1	REAL300008102919	0	39	-1.0	-46.27	329.58	6.19	-40.08
CC1(C(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)C(=O)[O-])CC1	REAL300008102920	0	40	-1.0	-47.03	339.47	6.71	-40.32
CC1(C(NS(=O)(=O)C2=CC=C3OCCC3=C2)C(=O)[O-])CC1	REAL300008102921	0	37	-1.0	-54.99	313.32	4.12	-50.87
CC(C)CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102922	0	47	-1.0	-55.96	382.96	7.83	-48.13
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1OCC	REAL300008102923	0	46	-1.0	-56.90	381.94	5.36	-51.54
CC1(C(NS(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C(=O)[O-])CC1	REAL300008102924	0	37	-1.0	-58.43	331.62	-0.78	-59.21
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC([N+](=O)[O-])=C1C	REAL300008102925	0	40	-1.0	-52.37	343.94	6.17	-46.20
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1C	REAL300008102926	0	40	-1.0	-41.88	342.63	6.47	-35.41
CC1=CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=C2N=C1	REAL300008102927	0	40	-1.0	-53.90	341.79	5.68	-48.22
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C([N+](=O)[O-])=C1	REAL300008102928	0	38	-1.0	-57.51	323.50	4.93	-52.58
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102929	0	36	-1.0	-42.33	313.93	4.87	-37.46
CC1(C(NS(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])CC1	REAL300008102930	0	37	-1.0	-58.22	331.63	-0.78	-59.00
CC1(C(NS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C(=O)[O-])CC1	REAL300008102931	0	44	-1.0	-51.89	393.08	2.13	-49.76
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102932	0	40	-1.0	-46.28	350.32	5.76	-40.52
CC1(C(NS(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)[O-])CC1	REAL300008102933	0	41	-1.0	-43.61	338.43	5.61	-38.00
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC=CN=C12	REAL300008102934	0	40	-1.0	-47.56	338.71	5.66	-41.90
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300008102935	0	40	-1.0	-54.71	338.72	7.05	-47.66
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102936	0	43	-1.0	-57.11	372.99	2.27	-54.84
CC1(C(NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C(=O)[O-])CC1	REAL300008102937	0	44	-1.0	-69.55	366.22	3.67	-65.88
CC1(C(NS(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C(=O)[O-])CC1	REAL300008102938	0	38	-1.0	-60.34	338.09	1.79	-58.55
CC1(C(NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C(=O)[O-])CC1	REAL300008102939	0	42	-1.0	-48.36	352.79	7.88	-40.48
CC1CC(C)CN(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300008102940	0	43	-1.0	-44.92	340.03	4.59	-40.33
CC1(C(NS(=O)(=O)C2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300008102941	0	38	-1.0	-49.12	323.45	6.73	-42.39
CC1(C(NS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C(=O)[O-])CC1	REAL300008102942	0	42	-1.0	-56.02	351.53	7.68	-48.34
CC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102943	0	35	-1.0	-57.89	295.93	5.12	-52.77
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=CC=C12	REAL300008102944	0	46	-1.0	-47.32	376.87	6.58	-40.74
CC1(C(NS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)[O-])CC1	REAL300008102945	0	33	-1.0	-50.33	302.62	2.85	-47.48
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102946	0	36	-1.0	-42.14	313.95	4.88	-37.26
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102947	0	47	-1.0	-55.83	369.94	7.11	-48.72
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Cl	REAL300008102948	0	35	-1.0	-52.57	312.83	5.37	-47.20
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102949	0	42	-1.0	-54.15	346.64	5.12	-49.03
CC1(C(NS(=O)(=O)CC2=CC=CC(Cl)=C2)C(=O)[O-])CC1	REAL300008102950	0	35	-1.0	-59.36	317.72	5.49	-53.87
CC1(C(NS(=O)(=O)C2=CC=CC3=NON=C32)C(=O)[O-])CC1	REAL300008102951	0	33	-1.0	-52.73	292.75	3.19	-49.54
CC1(C(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300008102952	0	37	-1.0	-45.27	339.58	6.76	-38.51
CC1(C(NS(=O)(=O)C2=CC=CC3=CC=CN=C32)C(=O)[O-])CC1	REAL300008102953	0	37	-1.0	-51.97	315.31	4.96	-47.01
CC1(C(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C(=O)[O-])CC1	REAL300008102954	0	43	-1.0	-55.74	382.86	7.66	-48.08
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102955	0	38	-1.0	-41.15	325.43	5.03	-36.12
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1F	REAL300008102956	0	36	-1.0	-52.98	315.22	3.69	-49.29
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1F	REAL300008102957	0	35	-1.0	-52.97	306.23	5.03	-47.94
CC1(C(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])CC1	REAL300008102958	0	43	-1.0	-54.20	382.76	7.63	-46.57
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)C=C1	REAL300008102959	0	47	-1.0	-54.78	397.71	6.47	-48.31
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C(C)C)=C1	REAL300008102960	0	59	-1.0	-45.97	440.19	10.38	-35.59
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC=CC=C12	REAL300008102961	0	48	-1.0	-49.00	392.30	7.65	-41.35
CC1(C(NS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C(=O)[O-])CC1	REAL300008102962	0	35	-1.0	-40.06	337.97	5.92	-34.14
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC=CC=C12	REAL300008102963	0	42	-1.0	-48.57	351.93	6.08	-42.49
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102964	0	37	-1.0	-40.48	325.60	5.92	-34.56
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102965	0	37	-1.0	-46.43	319.71	5.77	-40.66
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102966	0	40	-1.0	-42.08	342.65	6.82	-35.26
CC(C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102967	0	44	-1.0	-55.50	358.56	6.95	-48.55
COCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102968	0	42	-1.0	-55.51	353.93	4.78	-50.73
COCCN(CCOC)S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102969	0	44	-1.0	-54.79	353.07	1.60	-53.19
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102970	0	35	-1.0	-57.82	308.43	5.62	-52.20
COC1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300008102971	0	42	-1.0	-46.87	359.36	5.20	-41.67
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102972	0	48	-1.0	-54.35	391.45	6.66	-47.69
CC1(C(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C(=O)[O-])CC1	REAL300008102973	0	46	-1.0	-54.47	374.14	6.54	-47.93
CC(C)COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102974	0	45	-1.0	-53.94	370.33	5.99	-47.95
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102975	0	42	-1.0	-53.98	350.23	5.29	-48.69
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Cl	REAL300008102976	0	36	-1.0	-52.85	325.02	4.18	-48.67
CC1(C(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C(=O)[O-])CC1	REAL300008102977	0	36	-1.0	-55.29	334.78	4.44	-50.85
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300008102978	0	39	-1.0	-54.66	326.90	4.31	-50.35
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1OC(C)C	REAL300008102979	0	45	-1.0	-54.30	366.68	5.86	-48.44
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1	REAL300008102980	0	39	-1.0	-44.24	326.87	4.55	-39.69
COCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102981	0	43	-1.0	-56.69	364.51	3.83	-52.86
CC1(C(NS(=O)(=O)CC2=CC=CC=C2F)C(=O)[O-])CC1	REAL300008102982	0	35	-1.0	-58.58	306.31	5.01	-53.57
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102983	0	35	-1.0	-41.39	319.26	5.86	-35.53
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1C	REAL300008102984	0	40	-1.0	-59.57	326.91	7.10	-52.47
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102985	0	41	-1.0	-52.15	357.97	2.78	-49.37
CC1(C(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C(=O)[O-])CC1	REAL300008102986	0	44	-1.0	-56.64	386.40	2.12	-54.52
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300008102987	0	40	-1.0	-57.92	356.12	0.49	-57.43
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300008102988	0	40	-1.0	-52.16	338.23	3.06	-49.10
CC1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300008102989	0	34	-1.0	-45.14	310.24	2.87	-42.27
CC1(C(NS(=O)(=O)C2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300008102990	0	35	-1.0	-45.96	319.11	5.74	-40.22
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1F	REAL300008102991	0	36	-1.0	-53.11	315.21	3.69	-49.42
CC1(C(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C(=O)[O-])CC1	REAL300008102992	0	42	-1.0	-56.11	351.58	7.68	-48.43
CC1(C(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300008102993	0	35	-1.0	-56.47	334.45	5.99	-50.48
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)S2)=CS1	REAL300008102994	0	38	-1.0	-46.90	363.52	4.85	-42.05
CC1(C(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C(=O)[O-])CC1	REAL300008102995	0	52	-1.0	-54.74	411.93	7.89	-46.85
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300008102996	0	40	-1.0	-52.08	333.20	6.14	-45.94
CNC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CN1C	REAL300008102997	0	40	-1.0	-56.74	344.40	1.97	-54.77
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1	REAL300008102998	0	42	-1.0	-46.16	336.34	5.27	-40.89
CC1(C(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C(=O)[O-])CC1	REAL300008102999	0	43	-1.0	-56.82	363.71	8.44	-48.38
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300008103000	0	42	-1.0	-43.60	348.14	5.16	-38.44
COC1=CC=C(F)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114681	0	38	-1.0	-43.09	304.49	4.41	-38.68
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114682	0	45	-1.0	-41.87	365.67	4.66	-37.21
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C	REAL300008114683	0	45	-1.0	-57.23	365.16	1.57	-55.66
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008114684	0	52	-1.0	-39.80	361.15	6.45	-33.35
CC1=NC2=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300008114685	0	42	-1.0	-48.15	324.40	5.80	-42.35
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008114686	0	42	-1.0	-65.40	347.96	6.17	-59.23
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008114687	0	45	-1.0	-43.18	354.77	2.79	-40.39
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114688	0	48	-1.0	-43.24	391.94	5.83	-37.41
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114689	0	48	-1.0	-43.49	384.21	5.91	-37.58
CCCN1C=NC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114690	0	40	-1.0	-48.23	319.40	6.16	-42.07
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC(C)COC1CCCC1	REAL300008114691	0	50	-1.0	-39.83	381.96	5.45	-34.38
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114692	0	41	-1.0	-41.99	350.99	4.35	-37.64
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008114693	0	42	-1.0	-43.65	334.18	2.06	-41.59
COC1=CC(Br)=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114694	0	38	-1.0	-42.51	333.64	3.97	-38.54
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008114695	0	38	-1.0	-54.45	329.69	4.23	-50.22
COC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300008114696	0	40	-1.0	-51.10	329.81	5.25	-45.85
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114697	0	40	-1.0	-37.55	328.20	6.07	-31.48
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114698	0	40	-1.0	-37.51	333.31	5.79	-31.72
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300008114699	0	40	-1.0	-51.19	328.72	6.02	-45.17
CC(C)C1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114700	0	43	-1.0	-39.04	323.68	5.96	-33.08
CCOC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114701	0	41	-1.0	-55.73	325.73	4.81	-50.92
COCCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=N1	REAL300008114702	0	41	-1.0	-55.29	334.21	2.05	-53.24
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008114703	0	41	-1.0	-45.78	346.96	4.53	-41.25
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008114704	0	42	-1.0	-58.12	347.69	6.87	-51.25
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008114705	0	39	-1.0	-45.59	318.01	4.62	-40.97
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008114706	0	37	-1.0	-58.23	318.98	5.96	-52.27
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300008114707	0	37	-1.0	-44.22	315.58	5.56	-38.66
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008114708	0	41	-1.0	-67.28	337.05	2.45	-64.83
CC1=CC(Br)=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114709	0	37	-1.0	-40.78	325.54	5.33	-35.45
CC1=C(Br)C=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114710	0	37	-1.0	-39.45	307.42	5.57	-33.88
COCC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114711	0	41	-1.0	-42.31	320.72	4.22	-38.09
COC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CC=C1Br	REAL300008114712	0	38	-1.0	-51.55	324.20	4.46	-47.09
COC1=CC(OC)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1Cl	REAL300008114713	0	42	-1.0	-44.28	343.07	4.35	-39.93
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008114714	0	37	-1.0	-54.12	328.51	3.19	-50.93
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008114715	0	37	-1.0	-56.13	311.97	3.31	-52.82
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008114716	0	45	-1.0	-45.10	360.22	5.32	-39.78
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008114717	0	37	-1.0	-42.85	310.13	3.35	-39.50
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114718	0	46	-1.0	-51.61	386.52	3.27	-48.34
CSC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114719	0	38	-1.0	-59.21	309.24	5.68	-53.53
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008114720	0	42	-1.0	-57.61	351.10	1.34	-56.27
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300008114721	0	45	-1.0	-46.42	351.49	4.70	-41.72
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1F	REAL300008114722	0	45	-1.0	-56.92	374.14	2.12	-54.80
CCC1=CC=C(CS(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114723	0	43	-1.0	-58.03	340.86	6.87	-51.16
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CS1	REAL300008114724	0	37	-1.0	-55.80	308.21	5.32	-50.48
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008114725	0	49	-1.0	-57.76	388.04	4.95	-52.81
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008114726	0	46	-1.0	-47.51	363.34	4.51	-43.00
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114727	0	43	-1.0	-59.11	366.67	2.58	-56.53
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114728	0	44	-1.0	-46.80	358.78	1.87	-44.93
CC1=CC=C(CS(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C	REAL300008114729	0	43	-1.0	-58.34	345.21	6.19	-52.15
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1Br	REAL300008114730	0	41	-1.0	-52.52	346.04	5.39	-47.13
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300008114731	0	48	-1.0	-57.65	382.38	7.61	-50.04
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008114732	0	38	-1.0	-54.06	340.01	4.68	-49.38
COC1=CC=C(Br)C(CS(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114733	0	41	-1.0	-57.86	343.89	5.20	-52.66
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CCOC(C)(C)C1	REAL300008114734	0	43	-1.0	-53.36	316.05	3.41	-49.95
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008114735	0	48	-1.0	-45.39	389.81	6.23	-39.16
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114736	0	41	-1.0	-43.05	337.07	5.67	-37.38
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300008114737	0	46	-1.0	-45.05	367.52	5.81	-39.24
CCS(=O)(=O)NCCS(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114738	0	41	-1.0	-61.44	346.90	-0.98	-62.42
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300008114739	0	40	-1.0	-44.41	337.76	5.37	-39.04
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008114740	0	37	-1.0	-53.41	329.55	6.56	-46.85
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300008114741	0	40	-1.0	-57.00	341.18	7.28	-49.72
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008114742	0	37	-1.0	-42.14	333.21	5.79	-36.35
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008114743	0	40	-1.0	-43.98	332.87	7.00	-36.98
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008114744	0	40	-1.0	-41.77	343.79	5.85	-35.92
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008114745	0	45	-1.0	-44.45	362.29	5.42	-39.03
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008114746	0	48	-1.0	-41.87	395.59	7.82	-34.05
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008114747	0	47	-1.0	-48.66	390.05	5.56	-43.10
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008114748	0	45	-1.0	-46.38	380.85	1.04	-45.34
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300008114749	0	43	-1.0	-56.12	344.67	7.40	-48.72
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1N(C)C	REAL300008114750	0	45	-1.0	-55.62	347.57	5.26	-50.36
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300008114751	0	40	-1.0	-57.95	335.67	6.64	-51.31
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008114752	0	39	-1.0	-59.29	305.91	0.82	-58.47
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCOCC1CCCC1	REAL300008114753	0	47	-1.0	-43.02	365.69	4.54	-38.48
COC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1Cl	REAL300008114754	0	41	-1.0	-39.07	334.07	4.72	-34.35
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008114755	0	43	-1.0	-70.48	367.49	2.50	-67.98
CSC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1Cl	REAL300008114756	0	38	-1.0	-52.32	329.49	5.97	-46.35
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114757	0	46	-1.0	-46.16	345.54	4.64	-41.52
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008114758	0	42	-1.0	-44.82	354.02	2.59	-42.23
CCC1=NOC2=NC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C12	REAL300008114759	0	41	-1.0	-49.68	333.57	2.23	-47.45
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008114760	0	45	-1.0	-49.99	368.83	4.34	-45.65
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008114761	0	39	-1.0	-52.49	318.54	3.62	-48.87
CCC1=CC(CC)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(CC)=C1	REAL300008114762	0	52	-1.0	-40.68	370.05	8.84	-31.84
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008114763	0	41	-1.0	-64.17	320.38	4.54	-59.63
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008114764	0	40	-1.0	-51.03	342.81	2.57	-48.46
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008114765	0	43	-1.0	-41.53	341.41	8.01	-33.52
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C)=C1F	REAL300008114766	0	41	-1.0	-45.08	329.01	4.14	-40.94
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1(C)CCCCC1	REAL300008114767	0	46	-1.0	-57.06	332.87	5.77	-51.29
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008114768	0	43	-1.0	-43.43	330.65	5.49	-37.94
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008114770	0	42	-1.0	-46.00	345.13	5.58	-40.42
COCC1=CC(Cl)=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114771	0	41	-1.0	-41.03	354.63	4.28	-36.75
CC1=CC=C(CS(=O)(=O)NC(CC(=O)[O-])C(C)C)C(F)=C1	REAL300008114772	0	40	-1.0	-46.55	325.54	5.71	-40.84
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008114774	0	34	-1.0	-51.90	306.49	4.80	-47.10
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008114775	0	47	-1.0	-57.85	371.79	7.55	-50.30
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008114776	0	45	-1.0	-45.81	356.92	5.00	-40.81
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008114777	0	43	-1.0	-46.23	342.27	1.25	-44.98
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008114778	0	37	-1.0	-53.61	309.35	5.26	-48.35
CC1=C(CCS(=O)(=O)NC(CC(=O)[O-])C(C)C)SC=N1	REAL300008114779	0	39	-1.0	-56.28	322.99	3.92	-52.36
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300008114780	0	44	-1.0	-41.06	319.72	5.74	-35.32
COC1=CC=C2C=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)CCC2=C1	REAL300008114781	0	46	-1.0	-44.19	360.05	5.91	-38.28
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008114782	0	45	-1.0	-53.12	354.09	1.10	-52.02
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1CCCCC1(F)F	REAL300008114783	0	43	-1.0	-45.23	334.11	5.22	-40.01
CC(C)C(CC(=O)[O-])NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008114784	0	41	-1.0	-43.52	332.40	6.15	-37.37
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008114785	0	42	-1.0	-59.32	336.86	6.32	-53.00
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008114786	0	34	-1.0	-40.05	299.72	4.57	-35.48
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008114787	0	34	-1.0	-39.98	304.27	4.68	-35.30
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008114788	0	36	-1.0	-39.84	311.05	4.73	-35.11
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008114789	0	40	-1.0	-55.60	318.74	6.87	-48.73
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008114790	0	36	-1.0	-52.94	301.50	5.30	-47.64
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114791	0	39	-1.0	-37.64	322.80	5.47	-32.17
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114792	0	38	-1.0	-43.72	312.35	3.36	-40.36
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008114793	0	36	-1.0	-50.09	296.78	5.47	-44.62
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114794	0	41	-1.0	-41.71	336.27	5.69	-36.02
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114795	0	41	-1.0	-43.62	334.17	4.28	-39.34
CC1=CC(C)=C(C)C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1C	REAL300008114796	0	46	-1.0	-42.91	344.21	6.62	-36.29
CC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C)=C1	REAL300008114797	0	43	-1.0	-53.60	321.27	6.54	-47.06
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114798	0	49	-1.0	-40.64	365.22	7.51	-33.13
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008114799	0	37	-1.0	-41.00	315.85	5.30	-35.70
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008114800	0	37	-1.0	-57.12	297.09	5.79	-51.33
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008114801	0	34	-1.0	-52.48	290.00	5.15	-47.33
CC(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114802	0	39	-1.0	-46.29	325.54	4.55	-41.74
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008114803	0	40	-1.0	-60.36	329.72	5.28	-55.08
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300008114804	0	46	-1.0	-43.32	359.07	6.38	-36.94
CC(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114805	0	43	-1.0	-43.04	343.06	5.99	-37.05
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300008114806	0	45	-1.0	-48.62	378.32	2.06	-46.56
CCCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114807	0	43	-1.0	-42.64	347.24	6.28	-36.36
COC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114808	0	38	-1.0	-59.55	301.49	4.61	-54.94
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1Br	REAL300008114809	0	38	-1.0	-52.83	324.19	4.47	-48.36
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CC=C1Br	REAL300008114810	0	37	-1.0	-51.87	313.72	5.74	-46.13
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C2)=C1	REAL300008114811	0	48	-1.0	-54.63	384.88	8.08	-46.55
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008114812	0	38	-1.0	-39.57	328.84	3.85	-35.72
CC1=C(C)C(C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C)=C1C	REAL300008114813	0	49	-1.0	-44.42	355.15	7.06	-37.36
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008114814	0	43	-1.0	-55.17	337.11	4.45	-50.72
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114815	0	50	-1.0	-45.00	374.42	6.85	-38.15
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008114816	0	39	-1.0	-53.39	318.82	5.76	-47.63
COC1=CC=C(Br)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114817	0	38	-1.0	-42.34	319.38	4.97	-37.37
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114818	0	52	-1.0	-52.60	387.18	7.96	-44.64
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008114819	0	37	-1.0	-38.64	314.27	5.37	-33.27
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008114820	0	44	-1.0	-43.24	338.30	6.86	-36.38
COC1=CC=C(OC)C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114821	0	42	-1.0	-46.25	327.57	3.63	-42.62
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1OC	REAL300008114822	0	42	-1.0	-54.54	331.66	3.81	-50.73
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008114823	0	41	-1.0	-44.32	328.18	5.90	-38.42
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008114824	0	42	-1.0	-55.32	326.31	6.88	-48.44
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008114825	0	39	-1.0	-53.54	320.40	4.00	-49.54
CC(C)CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114826	0	49	-1.0	-42.47	386.32	7.56	-34.91
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1OCC	REAL300008114827	0	48	-1.0	-53.65	386.93	5.19	-48.46
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008114828	0	39	-1.0	-48.67	336.98	-0.98	-49.65
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1C	REAL300008114829	0	42	-1.0	-37.39	334.01	6.42	-30.97
CC1=CC2=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C2N=C1	REAL300008114830	0	42	-1.0	-64.01	326.72	6.30	-57.71
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300008114831	0	40	-1.0	-50.41	326.25	4.78	-45.63
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114832	0	38	-1.0	-41.27	313.68	4.71	-36.56
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008114833	0	39	-1.0	-58.48	328.62	-0.46	-58.94
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008114834	0	46	-1.0	-50.04	385.85	2.13	-47.91
CC(C)C(CC(=O)[O-])NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300008114835	0	42	-1.0	-44.54	349.58	5.92	-38.62
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008114836	0	43	-1.0	-39.95	319.91	5.37	-34.58
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300008114837	0	42	-1.0	-45.06	331.10	5.60	-39.46
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C	REAL300008114838	0	42	-1.0	-48.96	330.83	6.87	-42.09
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300008114839	0	45	-1.0	-57.48	369.13	2.63	-54.85
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008114840	0	46	-1.0	-66.85	360.14	3.77	-63.08
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008114841	0	40	-1.0	-59.93	345.18	1.68	-58.25
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008114842	0	44	-1.0	-44.04	344.24	7.68	-36.36
CC(C)C(CC(=O)[O-])NS(=O)(=O)N1CC(C)CC(C)C1	REAL300008114843	0	45	-1.0	-56.24	324.21	4.78	-51.46
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008114844	0	40	-1.0	-44.36	316.20	6.47	-37.89
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008114845	0	44	-1.0	-44.90	356.81	7.40	-37.50
CC1=CC=C(F)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114846	0	37	-1.0	-37.87	296.06	5.10	-32.77
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300008114847	0	48	-1.0	-44.03	368.95	6.47	-37.56
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008114848	0	35	-1.0	-47.55	305.70	2.25	-45.30
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114849	0	38	-1.0	-42.36	314.82	4.86	-37.50
COC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114850	0	38	-1.0	-44.66	306.33	3.58	-41.08
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114851	0	49	-1.0	-43.37	373.29	6.85	-36.52
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1Cl	REAL300008114852	0	37	-1.0	-54.60	308.39	5.73	-48.87
CC(C)OC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114853	0	44	-1.0	-44.23	351.58	4.87	-39.36
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008114854	0	35	-1.0	-46.36	291.79	2.83	-43.53
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008114855	0	39	-1.0	-43.68	330.60	6.79	-36.89
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008114856	0	39	-1.0	-64.24	305.35	5.64	-58.60
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008114857	0	45	-1.0	-52.57	390.18	7.59	-44.98
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114858	0	40	-1.0	-40.60	325.17	4.86	-35.74
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1F	REAL300008114859	0	38	-1.0	-53.01	310.00	3.87	-49.14
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1F	REAL300008114860	0	37	-1.0	-55.09	299.65	5.32	-49.77
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008114861	0	45	-1.0	-42.23	387.57	7.37	-34.86
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C2)C=C1	REAL300008114862	0	49	-1.0	-44.21	401.97	6.22	-37.99
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300008114863	0	61	-1.0	-41.95	431.97	10.06	-31.89
CC(C)OC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008114864	0	50	-1.0	-55.75	393.95	7.40	-48.35
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008114865	0	37	-1.0	-57.23	329.61	6.31	-50.92
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008114866	0	44	-1.0	-56.37	353.98	5.95	-50.42
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114867	0	39	-1.0	-38.29	318.37	5.74	-32.55
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114868	0	39	-1.0	-42.97	311.08	5.63	-37.34
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114869	0	42	-1.0	-37.07	334.49	6.74	-30.33
CC(C)CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114870	0	46	-1.0	-42.58	363.99	6.74	-35.84
COCCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114871	0	44	-1.0	-42.91	359.38	4.57	-38.34
COCCN(CCOC)S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114872	0	46	-1.0	-54.16	340.80	2.35	-51.81
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114873	0	37	-1.0	-37.67	306.39	5.56	-32.11
COC1=C(C)C=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C	REAL300008114874	0	44	-1.0	-44.90	356.43	4.94	-39.96
CC(C)CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114875	0	50	-1.0	-42.74	394.71	6.38	-36.36
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008114876	0	48	-1.0	-43.27	377.27	6.21	-37.06
CC(C)COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114877	0	47	-1.0	-42.82	375.56	5.71	-37.11
CCCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114878	0	44	-1.0	-42.76	355.65	5.08	-37.68
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1Cl	REAL300008114879	0	38	-1.0	-52.33	330.01	4.00	-48.33
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008114880	0	38	-1.0	-53.53	329.56	4.63	-48.90
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C	REAL300008114881	0	41	-1.0	-53.65	334.06	4.19	-49.46
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300008114882	0	47	-1.0	-54.03	362.28	6.21	-47.82
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C)=C1	REAL300008114883	0	41	-1.0	-41.91	318.49	4.48	-37.43
COCCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114884	0	45	-1.0	-46.08	367.72	3.55	-42.53
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1F	REAL300008114885	0	37	-1.0	-46.76	304.10	5.03	-41.73
CC1=CC(Br)=CC=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114886	0	37	-1.0	-38.18	311.44	5.69	-32.49
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1C	REAL300008114887	0	42	-1.0	-59.52	333.29	7.15	-52.37
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114888	0	43	-1.0	-49.22	355.28	2.32	-46.90
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008114889	0	46	-1.0	-47.52	385.80	2.13	-45.39
CC1=NC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)S1	REAL300008114890	0	36	-1.0	-42.49	302.56	2.83	-39.66
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008114891	0	37	-1.0	-42.66	316.42	5.27	-37.39
COC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CC=C1F	REAL300008114892	0	38	-1.0	-51.62	310.01	3.88	-47.74
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008114893	0	44	-1.0	-46.42	356.97	7.47	-38.95
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008114894	0	37	-1.0	-38.94	338.34	5.80	-33.14
CC1=NC(C2=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)S2)=CS1	REAL300008114895	0	40	-1.0	-54.14	363.78	4.73	-49.41
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008114896	0	54	-1.0	-43.64	417.40	7.67	-35.97
CNC(=O)C1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CN1C	REAL300008114897	0	42	-1.0	-45.92	347.40	1.63	-44.29
COC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C)=C1	REAL300008114898	0	44	-1.0	-53.50	329.73	5.21	-48.29
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008114899	0	45	-1.0	-46.48	366.86	8.10	-38.38
COC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C	REAL300008114900	0	44	-1.0	-41.28	337.99	5.20	-36.08
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300008114901	0	42	-1.0	-44.55	318.70	5.41	-39.14
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008114902	0	39	-1.0	-46.47	316.78	4.45	-42.02
CCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300008114903	0	39	-1.0	-54.77	330.42	4.49	-50.28
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008114904	0	41	-1.0	-43.23	353.74	4.74	-38.49
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008114905	0	48	-1.0	-44.90	394.07	7.33	-37.57
CCC(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114906	0	42	-1.0	-50.35	345.71	5.25	-45.10
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008114907	0	44	-1.0	-53.96	360.45	6.00	-47.96
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008114908	0	37	-1.0	-70.19	314.10	3.40	-66.79
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114909	0	56	-1.0	-55.72	406.08	7.65	-48.07
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300008114910	0	42	-1.0	-49.27	359.79	0.64	-48.63
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008114911	0	37	-1.0	-58.51	313.21	5.05	-53.46
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008114912	0	47	-1.0	-55.89	375.75	6.83	-49.06
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114913	0	44	-1.0	-44.49	346.73	6.07	-38.42
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008114914	0	39	-1.0	-51.62	331.06	4.20	-47.42
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008114915	0	41	-1.0	-47.14	344.14	5.16	-41.98
CCOCCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114916	0	48	-1.0	-45.53	389.65	4.52	-41.01
CCCCCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114917	0	50	-1.0	-42.62	398.64	6.64	-35.98
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008114918	0	44	-1.0	-41.63	329.70	6.88	-34.75
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008114919	0	38	-1.0	-39.53	339.24	5.52	-34.01
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300008114920	0	39	-1.0	-54.01	320.44	3.46	-50.55
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008114921	0	42	-1.0	-63.40	336.02	5.99	-57.41
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008114922	0	39	-1.0	-59.42	322.49	4.72	-54.70
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C(C)=C1	REAL300008114923	0	44	-1.0	-42.20	341.05	5.23	-36.97
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008114924	0	38	-1.0	-57.42	312.17	4.76	-52.66
CSC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114925	0	38	-1.0	-43.38	323.05	5.08	-38.30
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008114926	0	40	-1.0	-58.96	335.19	6.47	-52.49
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114927	0	45	-1.0	-40.20	343.47	6.52	-33.68
CCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)N=C1C	REAL300008114928	0	40	-1.0	-59.36	320.76	4.46	-54.90
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008114929	0	40	-1.0	-58.65	317.14	4.26	-54.39
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008114930	0	39	-1.0	-54.75	320.76	4.66	-50.09
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008114931	0	46	-1.0	-45.94	375.53	5.95	-39.99
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300008114932	0	40	-1.0	-55.64	328.71	6.02	-49.62
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008114933	0	40	-1.0	-58.15	347.44	5.46	-52.69
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008114934	0	43	-1.0	-56.94	337.06	6.17	-50.77
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C12	REAL300008114935	0	42	-1.0	-51.62	350.80	3.86	-47.76
COCC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114936	0	41	-1.0	-56.82	329.45	4.31	-52.51
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300008114937	0	45	-1.0	-60.23	356.80	5.25	-54.98
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300008114938	0	37	-1.0	-44.63	312.38	5.45	-39.18
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008114939	0	42	-1.0	-48.47	335.55	5.00	-43.47
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008114940	0	37	-1.0	-45.52	331.62	5.71	-39.81
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300008114941	0	42	-1.0	-54.29	331.23	5.15	-49.14
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114942	0	46	-1.0	-40.01	330.26	7.22	-32.79
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114943	0	46	-1.0	-52.53	362.53	2.95	-49.58
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008114944	0	45	-1.0	-54.49	380.78	7.90	-46.59
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008114945	0	40	-1.0	-57.07	334.86	5.67	-51.40
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008114946	0	40	-1.0	-57.77	357.78	5.91	-51.86
CC1=NC(C2=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C2)=CO1	REAL300008114947	0	43	-1.0	-57.17	350.60	3.62	-53.55
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008114948	0	37	-1.0	-45.37	311.42	2.97	-42.40
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008114949	0	37	-1.0	-55.72	315.24	4.62	-51.10
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008114950	0	37	-1.0	-45.44	308.67	2.65	-42.79
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=N1	REAL300008114951	0	37	-1.0	-52.05	299.72	1.19	-50.86
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCN12	REAL300008114952	0	38	-1.0	-52.08	294.99	3.55	-48.53
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008114953	0	42	-1.0	-44.79	329.32	5.00	-39.79
CC1=CC=C(N2C=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=N2)C=C1	REAL300008114954	0	44	-1.0	-53.51	356.44	6.22	-47.29
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300008114955	0	42	-1.0	-41.88	350.63	5.40	-36.48
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300008114956	0	39	-1.0	-50.35	318.56	5.66	-44.69
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=N1	REAL300008114957	0	45	-1.0	-58.39	360.32	5.22	-53.17
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008114958	0	36	-1.0	-53.39	304.51	3.98	-49.41
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300008114959	0	42	-1.0	-45.03	334.34	4.46	-40.57
CC1=CC2=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C2C=C1	REAL300008114960	0	43	-1.0	-55.73	341.51	7.48	-48.25
COC1=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)SC=C1	REAL300008114961	0	35	-1.0	-45.58	288.81	3.19	-42.39
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300008114962	0	42	-1.0	-44.79	329.35	4.69	-40.10
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008114963	0	39	-1.0	-59.17	321.76	3.93	-55.24
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008114964	0	39	-1.0	-47.82	322.15	4.34	-43.48
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008114965	0	39	-1.0	-46.70	318.62	3.89	-42.81
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008114966	0	40	-1.0	-55.62	336.20	6.72	-48.90
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300008114967	0	46	-1.0	-55.80	348.39	5.06	-50.74
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008114968	0	36	-1.0	-49.95	319.18	3.34	-46.61
COC1=CC=CC(OC)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114969	0	42	-1.0	-49.13	334.88	4.54	-44.59
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114970	0	42	-1.0	-44.39	339.05	5.98	-38.41
CC1=CC=C(C)C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300008114971	0	42	-1.0	-59.91	328.36	7.38	-52.53
CC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008114972	0	42	-1.0	-38.02	333.28	6.12	-31.90
COC1=CC=C(CCS(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1	REAL300008114973	0	44	-1.0	-57.05	357.80	5.06	-51.99
COC1=CN=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114974	0	37	-1.0	-53.19	297.97	2.06	-51.13
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300008114975	0	43	-1.0	-55.55	346.91	6.26	-49.29
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008114976	0	41	-1.0	-42.43	326.10	6.39	-36.04
COC1=CC(OC)=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114977	0	42	-1.0	-46.70	341.83	2.66	-44.04
CC(C)C(CC(=O)[O-])NS(=O)(=O)CCC1CCCCC1	REAL300008114978	0	46	-1.0	-56.57	340.25	6.38	-50.19
CC1=CC2=C(C=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C)OCO2	REAL300008114979	0	40	-1.0	-41.60	315.27	3.57	-38.03
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008114980	0	37	-1.0	-59.04	301.59	4.98	-54.06
COC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300008114981	0	38	-1.0	-51.62	319.81	4.34	-47.28
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300008114982	0	42	-1.0	-47.04	327.06	6.29	-40.75
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C1CC	REAL300008114983	0	46	-1.0	-54.64	361.56	6.71	-47.93
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114984	0	42	-1.0	-47.69	323.08	6.32	-41.37
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(CC(=O)[O-])C(C)C	REAL300008114985	0	44	-1.0	-57.34	333.15	6.03	-51.31
CC1=C(C)SC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=C1	REAL300008114986	0	37	-1.0	-55.74	306.81	5.02	-50.72
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300008114987	0	35	-1.0	-39.36	297.62	1.55	-37.81
CCC1=NC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)S1	REAL300008114988	0	36	-1.0	-43.19	313.63	2.68	-40.51
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300008114989	0	41	-1.0	-54.63	333.25	3.93	-50.70
CC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)S1	REAL300008114990	0	37	-1.0	-55.11	314.84	4.81	-50.30
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008114991	0	40	-1.0	-39.89	324.32	6.09	-33.80
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008114992	0	37	-1.0	-43.98	301.52	3.22	-40.76
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CC(C)=C1F	REAL300008114993	0	40	-1.0	-41.51	329.88	5.40	-36.11
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008114994	0	41	-1.0	-60.41	340.47	3.90	-56.51
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008114995	0	36	-1.0	-45.34	299.78	4.22	-41.12
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008114996	0	37	-1.0	-56.12	313.21	5.96	-50.16
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300008114997	0	37	-1.0	-51.94	309.68	5.65	-46.29
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008114998	0	40	-1.0	-62.90	332.59	5.14	-57.76
CC1=CSC(C2=CC=C(S(=O)(=O)NC(CC(=O)[O-])C(C)C)C=C2)=N1	REAL300008114999	0	43	-1.0	-55.19	360.45	6.03	-49.16
CC(C)C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008115000	0	42	-1.0	-44.06	327.33	5.99	-38.07
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115434	0	36	-1.0	-54.62	304.44	4.94	-49.68
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115435	0	43	-1.0	-56.02	357.41	5.29	-50.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300008115436	0	43	-1.0	-55.48	364.65	2.13	-53.35
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008115437	0	50	-1.0	-48.84	359.87	6.42	-42.42
CC1=NC2=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=CC=C2C=C1	REAL300008115438	0	40	-1.0	-58.47	330.56	6.50	-51.97
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008115439	0	40	-1.0	-63.96	337.91	6.94	-57.02
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008115440	0	43	-1.0	-53.23	351.76	3.35	-49.88
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115441	0	46	-1.0	-55.57	392.02	6.19	-49.38
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115442	0	46	-1.0	-55.95	385.22	6.26	-49.69
CCCN1C=NC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115443	0	38	-1.0	-51.74	320.33	5.49	-46.25
COCCOCCOCCS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115444	0	46	-1.0	-52.69	383.57	2.18	-50.51
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115445	0	48	-1.0	-53.21	374.21	6.42	-46.79
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115446	0	39	-1.0	-50.31	342.12	5.31	-45.00
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008115447	0	40	-1.0	-52.34	333.11	2.58	-49.76
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115448	0	36	-1.0	-51.02	324.69	4.92	-46.10
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008115449	0	36	-1.0	-53.31	314.56	5.22	-48.09
COC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008115450	0	38	-1.0	-50.32	329.42	5.76	-44.56
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115451	0	38	-1.0	-49.50	319.86	6.55	-42.95
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115452	0	38	-1.0	-52.93	322.04	6.64	-46.29
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1C(F)(F)F	REAL300008115453	0	38	-1.0	-49.02	328.32	6.51	-42.51
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115454	0	41	-1.0	-52.64	316.72	6.61	-46.03
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCCN1CCOCC1	REAL300008115455	0	44	-1.0	-54.31	347.33	2.01	-52.30
CCOC1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115456	0	39	-1.0	-55.76	324.39	4.98	-50.78
COCCN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=N1	REAL300008115457	0	39	-1.0	-48.67	334.22	2.41	-46.26
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008115458	0	39	-1.0	-57.25	338.25	5.54	-51.71
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1C	REAL300008115459	0	59	-1.0	-54.52	460.38	9.57	-44.95
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008115460	0	40	-1.0	-55.98	347.12	7.21	-48.77
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008115461	0	37	-1.0	-50.35	314.29	5.12	-45.23
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008115462	0	35	-1.0	-52.83	318.70	6.37	-46.46
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300008115463	0	35	-1.0	-54.05	316.75	6.10	-47.95
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008115464	0	39	-1.0	-71.68	338.47	2.88	-68.80
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115465	0	35	-1.0	-47.55	315.96	6.05	-41.50
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115466	0	35	-1.0	-49.07	299.08	6.07	-43.00
COCC1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115467	0	39	-1.0	-50.59	313.58	4.82	-45.77
COC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1Br	REAL300008115468	0	36	-1.0	-48.47	323.16	4.74	-43.73
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Cl	REAL300008115469	0	40	-1.0	-55.27	343.87	4.77	-50.50
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008115470	0	35	-1.0	-50.36	318.48	3.87	-46.49
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008115471	0	35	-1.0	-50.41	313.48	3.65	-46.76
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC=C2O1	REAL300008115472	0	43	-1.0	-51.86	350.54	6.01	-45.85
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008115473	0	35	-1.0	-49.49	311.70	4.12	-45.37
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115474	0	43	-1.0	-58.82	346.78	3.45	-55.37
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115475	0	44	-1.0	-56.68	377.55	4.23	-52.45
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115476	0	36	-1.0	-53.83	302.88	5.74	-48.09
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1F	REAL300008115477	0	40	-1.0	-52.03	351.98	1.55	-50.48
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115478	0	46	-1.0	-54.65	393.03	2.79	-51.86
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115479	0	43	-1.0	-67.48	355.45	4.50	-62.98
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1F	REAL300008115480	0	43	-1.0	-51.15	373.44	2.45	-48.70
CCC1=CC=C(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115481	0	41	-1.0	-51.86	341.71	7.04	-44.82
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1=CC=CS1	REAL300008115482	0	35	-1.0	-51.86	309.10	5.62	-46.24
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008115483	0	47	-1.0	-56.68	387.01	5.20	-51.48
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008115484	0	44	-1.0	-52.45	366.66	4.51	-47.94
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115485	0	41	-1.0	-54.83	355.42	3.19	-51.64
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115486	0	42	-1.0	-65.30	359.13	2.42	-62.88
CC1=CC=C(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300008115487	0	41	-1.0	-52.93	336.89	6.79	-46.14
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Br	REAL300008115488	0	39	-1.0	-47.50	345.00	5.65	-41.85
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300008115489	0	46	-1.0	-51.04	381.26	7.84	-43.20
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008115490	0	36	-1.0	-52.81	324.89	5.67	-47.14
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115491	0	39	-1.0	-53.36	346.39	5.41	-47.95
CC1(C)CN(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CCO1	REAL300008115492	0	41	-1.0	-49.81	316.29	3.05	-46.76
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C2S1	REAL300008115493	0	46	-1.0	-51.77	386.06	6.71	-45.06
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115494	0	39	-1.0	-54.46	337.88	6.06	-48.40
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC=C21	REAL300008115495	0	44	-1.0	-51.98	363.72	6.30	-45.68
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115496	0	39	-1.0	-61.55	337.47	-0.23	-61.78
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300008115497	0	38	-1.0	-53.53	329.72	6.17	-47.36
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008115498	0	35	-1.0	-50.89	329.97	6.76	-44.13
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008115499	0	38	-1.0	-48.06	340.35	7.91	-40.15
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300008115500	0	35	-1.0	-49.46	321.61	6.74	-42.72
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008115501	0	38	-1.0	-53.12	325.09	7.65	-45.47
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008115502	0	38	-1.0	-53.54	334.91	6.80	-46.74
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008115503	0	43	-1.0	-52.79	356.14	6.22	-46.57
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008115504	0	46	-1.0	-53.74	384.00	8.42	-45.32
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115505	0	45	-1.0	-58.70	380.43	6.53	-52.17
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008115506	0	43	-1.0	-60.12	373.62	2.09	-58.03
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008115507	0	41	-1.0	-49.90	343.85	8.03	-41.87
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1N(C)C	REAL300008115508	0	43	-1.0	-53.17	348.49	5.65	-47.52
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008115509	0	38	-1.0	-55.18	336.12	7.01	-48.17
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008115510	0	37	-1.0	-56.81	308.02	2.01	-54.80
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCOCC1CCCC1	REAL300008115511	0	45	-1.0	-51.21	358.36	5.50	-45.71
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Cl	REAL300008115512	0	39	-1.0	-53.40	328.81	5.46	-47.94
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115513	0	41	-1.0	-67.09	358.11	3.27	-63.82
CSC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Cl	REAL300008115514	0	36	-1.0	-47.37	328.44	6.23	-41.14
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115515	0	44	-1.0	-50.40	340.04	5.10	-45.30
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008115516	0	40	-1.0	-47.15	344.14	3.31	-43.84
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C12	REAL300008115517	0	39	-1.0	-48.70	335.14	2.72	-45.98
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008115518	0	43	-1.0	-52.18	370.46	4.83	-47.35
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CN=C21	REAL300008115519	0	37	-1.0	-49.67	317.49	3.89	-45.78
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008115520	0	38	-1.0	-50.83	340.18	7.64	-43.19
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(CC)=C1	REAL300008115521	0	50	-1.0	-51.89	372.81	9.58	-42.31
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008115522	0	39	-1.0	-62.58	319.78	5.06	-57.52
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008115523	0	38	-1.0	-48.06	341.79	2.85	-45.21
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008115524	0	41	-1.0	-60.41	339.56	8.79	-51.62
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1F	REAL300008115525	0	39	-1.0	-49.23	318.11	4.99	-44.24
CC1(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CCCCC1	REAL300008115526	0	44	-1.0	-49.65	324.93	6.35	-43.30
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008115527	0	41	-1.0	-52.52	336.32	6.21	-46.31
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008115529	0	40	-1.0	-51.16	342.10	6.00	-45.16
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115530	0	39	-1.0	-52.35	345.69	5.24	-47.11
CC1=CC=C(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(F)=C1	REAL300008115531	0	38	-1.0	-51.51	325.59	6.29	-45.22
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008115533	0	32	-1.0	-49.72	305.88	4.99	-44.73
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008115534	0	45	-1.0	-54.08	362.38	8.33	-45.75
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=NO1	REAL300008115535	0	43	-1.0	-50.87	356.97	5.60	-45.27
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008115536	0	41	-1.0	-66.58	334.98	2.21	-64.37
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008115537	0	35	-1.0	-52.36	312.11	5.36	-47.00
CC1=C(CCS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])SC=N1	REAL300008115538	0	37	-1.0	-53.43	322.87	4.28	-49.15
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300008115539	0	42	-1.0	-53.35	322.30	6.43	-46.92
COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])CCC2=C1	REAL300008115540	0	44	-1.0	-50.87	359.48	6.56	-44.31
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300008115541	0	45	-1.0	-53.27	331.05	7.04	-46.23
CC(C)(CCS(=O)(=O)N1CCC[C@H]1CC(=O)[O-])S(C)(=O)=O	REAL300008115542	0	43	-1.0	-66.92	346.89	2.15	-64.77
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300008115543	0	41	-1.0	-50.47	327.34	6.08	-44.39
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008115544	0	39	-1.0	-54.34	324.30	7.15	-47.19
CCC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008115545	0	40	-1.0	-59.40	335.84	6.87	-52.53
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008115546	0	32	-1.0	-49.36	290.56	5.52	-43.84
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008115547	0	32	-1.0	-49.21	295.12	5.62	-43.59
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008115548	0	34	-1.0	-49.27	302.11	5.68	-43.59
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008115549	0	38	-1.0	-52.93	318.93	7.04	-45.89
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008115550	0	34	-1.0	-59.80	301.34	5.43	-54.37
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115551	0	37	-1.0	-57.98	309.08	6.17	-51.81
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008115552	0	34	-1.0	-62.74	294.70	6.55	-56.19
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115553	0	39	-1.0	-53.75	341.49	6.44	-47.31
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115554	0	39	-1.0	-52.15	325.24	5.23	-46.92
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1C	REAL300008115555	0	44	-1.0	-51.87	330.82	7.48	-44.39
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1	REAL300008115556	0	41	-1.0	-50.26	318.12	7.11	-43.15
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115557	0	47	-1.0	-52.30	358.36	7.54	-44.76
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008115558	0	35	-1.0	-53.74	312.15	5.77	-47.97
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008115559	0	35	-1.0	-49.23	291.28	6.29	-42.94
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008115560	0	32	-1.0	-47.09	289.62	5.30	-41.79
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115561	0	37	-1.0	-56.61	316.63	5.50	-51.11
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008115562	0	38	-1.0	-60.55	329.39	5.75	-54.80
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115563	0	44	-1.0	-51.57	350.10	7.33	-44.24
CC(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115564	0	41	-1.0	-51.62	334.12	6.93	-44.69
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115565	0	43	-1.0	-54.79	370.21	2.96	-51.83
CCCC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115566	0	41	-1.0	-51.73	338.28	7.22	-44.51
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Br	REAL300008115567	0	36	-1.0	-49.57	323.80	4.98	-44.59
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1Br	REAL300008115568	0	35	-1.0	-49.51	313.39	6.19	-43.32
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C2)=C1	REAL300008115569	0	46	-1.0	-51.17	384.32	8.56	-42.61
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008115570	0	36	-1.0	-48.36	319.87	4.80	-43.56
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1C	REAL300008115571	0	47	-1.0	-52.01	342.71	7.91	-44.10
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008115572	0	41	-1.0	-50.03	336.06	4.72	-45.31
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115573	0	48	-1.0	-55.44	374.59	7.20	-48.24
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008115574	0	37	-1.0	-59.17	317.48	6.22	-52.95
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115575	0	36	-1.0	-53.80	319.33	5.50	-48.30
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115576	0	50	-1.0	-50.13	373.68	8.79	-41.34
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008115577	0	35	-1.0	-49.11	312.62	6.01	-43.10
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008115578	0	42	-1.0	-52.93	336.61	7.49	-45.44
COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115579	0	40	-1.0	-57.19	327.50	4.17	-53.02
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1OC	REAL300008115580	0	40	-1.0	-50.72	331.97	3.96	-46.76
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008115581	0	39	-1.0	-51.25	318.64	6.67	-44.58
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008115582	0	40	-1.0	-51.61	330.40	7.26	-44.35
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008115583	0	37	-1.0	-50.66	309.03	4.61	-46.05
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115584	0	47	-1.0	-51.70	377.34	8.52	-43.18
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1OCC	REAL300008115585	0	46	-1.0	-50.30	375.68	5.80	-44.50
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115586	0	37	-1.0	-55.99	328.07	-0.03	-56.02
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300008115587	0	40	-1.0	-48.91	337.60	6.82	-42.09
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1C	REAL300008115588	0	40	-1.0	-57.15	326.60	6.74	-50.41
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=C2N=C1	REAL300008115589	0	40	-1.0	-57.44	331.61	6.59	-50.85
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300008115590	0	38	-1.0	-58.97	326.01	5.78	-53.19
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115591	0	36	-1.0	-50.74	314.78	5.39	-45.35
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115592	0	37	-1.0	-53.48	327.49	-0.28	-53.76
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008115593	0	44	-1.0	-61.04	382.90	2.86	-58.18
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115594	0	40	-1.0	-51.82	341.39	6.49	-45.33
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008115595	0	41	-1.0	-51.40	330.62	6.31	-45.09
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC=CN=C12	REAL300008115596	0	40	-1.0	-53.05	323.21	6.02	-47.03
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300008115597	0	40	-1.0	-61.32	333.26	7.78	-53.54
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115598	0	43	-1.0	-52.43	368.85	2.77	-49.66
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008115599	0	44	-1.0	-52.17	359.93	4.12	-48.05
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115600	0	38	-1.0	-62.72	334.57	2.53	-60.19
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008115601	0	42	-1.0	-52.36	333.46	8.45	-43.91
CC1CC(C)CN(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C1	REAL300008115602	0	43	-1.0	-49.70	327.95	5.22	-44.48
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008115603	0	38	-1.0	-54.11	308.40	7.14	-46.97
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008115604	0	42	-1.0	-52.80	348.07	8.41	-44.39
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115605	0	35	-1.0	-53.40	287.26	5.59	-47.81
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=CC=C12	REAL300008115606	0	46	-1.0	-52.35	361.85	6.99	-45.36
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008115607	0	33	-1.0	-52.30	296.25	3.43	-48.87
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115608	0	36	-1.0	-53.88	314.76	5.39	-48.49
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115609	0	47	-1.0	-51.69	364.34	7.80	-43.89
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Cl	REAL300008115610	0	35	-1.0	-52.31	308.71	5.86	-46.45
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115611	0	42	-1.0	-51.95	343.22	5.87	-46.08
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008115612	0	35	-1.0	-52.88	314.13	6.27	-46.61
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300008115613	0	33	-1.0	-50.40	288.91	3.79	-46.61
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008115614	0	37	-1.0	-55.24	335.61	7.51	-47.73
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008115615	0	37	-1.0	-57.90	309.76	5.93	-51.97
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008115616	0	43	-1.0	-52.34	377.94	8.09	-44.25
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115617	0	38	-1.0	-49.54	326.27	5.54	-44.00
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1F	REAL300008115618	0	36	-1.0	-49.75	309.61	4.37	-45.38
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1F	REAL300008115619	0	35	-1.0	-53.49	299.97	5.47	-48.02
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008115620	0	43	-1.0	-50.10	379.47	8.40	-41.70
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C2)C=C1	REAL300008115621	0	47	-1.0	-51.19	392.24	7.18	-44.01
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C(C)C)=C1	REAL300008115622	0	59	-1.0	-50.92	429.24	10.82	-40.10
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300008115623	0	48	-1.0	-53.34	377.00	8.03	-45.31
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008115624	0	35	-1.0	-54.42	329.32	6.73	-47.69
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300008115625	0	42	-1.0	-53.65	336.72	6.49	-47.16
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115626	0	37	-1.0	-49.50	309.01	6.21	-43.29
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115627	0	37	-1.0	-46.65	304.64	5.71	-40.94
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115628	0	40	-1.0	-52.19	333.80	7.40	-44.79
CC(C)CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115629	0	44	-1.0	-51.73	355.10	7.69	-44.04
COCCC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115630	0	42	-1.0	-52.11	350.45	5.52	-46.59
COCCN(CCOC)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115631	0	44	-1.0	-57.86	351.96	2.92	-54.94
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115632	0	35	-1.0	-52.50	297.58	6.04	-46.46
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300008115633	0	42	-1.0	-51.02	346.72	5.66	-45.36
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115634	0	48	-1.0	-51.56	385.80	7.33	-44.23
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008115635	0	46	-1.0	-50.86	368.82	7.24	-43.62
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115636	0	45	-1.0	-51.70	366.84	6.72	-44.98
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115637	0	42	-1.0	-51.71	346.74	6.03	-45.68
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Cl	REAL300008115638	0	36	-1.0	-47.79	318.76	4.62	-43.17
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008115639	0	36	-1.0	-50.35	328.52	4.89	-45.46
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300008115640	0	39	-1.0	-52.60	323.45	5.04	-47.56
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1OC(C)C	REAL300008115641	0	45	-1.0	-52.09	363.26	6.61	-45.48
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1	REAL300008115642	0	39	-1.0	-52.02	310.61	4.84	-47.18
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115643	0	43	-1.0	-54.52	358.86	4.50	-50.02
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300008115644	0	35	-1.0	-57.04	304.19	5.61	-51.43
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115645	0	35	-1.0	-49.73	302.08	6.16	-43.57
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1C	REAL300008115646	0	40	-1.0	-50.05	318.76	7.60	-42.45
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115647	0	41	-1.0	-64.53	342.80	2.72	-61.81
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008115648	0	44	-1.0	-54.99	382.89	2.86	-52.13
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115649	0	40	-1.0	-55.39	350.50	1.18	-54.21
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115650	0	40	-1.0	-51.85	334.40	2.87	-48.98
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])S1	REAL300008115651	0	34	-1.0	-50.32	302.35	3.31	-47.01
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300008115652	0	35	-1.0	-51.56	304.83	6.23	-45.33
COC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1F	REAL300008115653	0	36	-1.0	-48.58	308.96	4.14	-44.44
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008115654	0	42	-1.0	-56.56	347.38	8.18	-48.38
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008115655	0	35	-1.0	-50.07	332.29	6.59	-43.48
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])S2)=CS1	REAL300008115656	0	38	-1.0	-52.22	353.80	5.39	-46.83
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008115657	0	52	-1.0	-51.70	408.47	8.63	-43.07
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115658	0	40	-1.0	-58.16	331.56	6.60	-51.56
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CN1C	REAL300008115659	0	40	-1.0	-53.29	337.94	2.47	-50.82
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1	REAL300008115660	0	42	-1.0	-49.87	327.11	5.76	-44.11
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008115661	0	43	-1.0	-53.13	357.29	8.87	-44.26
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300008115662	0	42	-1.0	-52.97	330.38	5.55	-47.42
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300008115663	0	40	-1.0	-50.67	319.23	6.19	-44.48
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008115664	0	37	-1.0	-53.44	303.61	5.37	-48.07
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC[C@H]1CC(=O)[O-])=C2	REAL300008115665	0	45	-1.0	-53.42	372.85	8.60	-44.82
CCN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300008115666	0	37	-1.0	-50.56	320.11	5.75	-44.81
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008115667	0	39	-1.0	-51.71	344.82	5.69	-46.02
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008115668	0	46	-1.0	-52.10	385.16	8.28	-43.82
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115669	0	40	-1.0	-52.86	335.95	6.05	-46.81
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008115670	0	42	-1.0	-55.94	360.52	6.37	-49.57
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008115671	0	35	-1.0	-70.34	304.44	4.09	-66.25
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115672	0	54	-1.0	-50.88	410.51	7.93	-42.95
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115673	0	40	-1.0	-55.71	347.41	1.72	-53.99
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300008115674	0	35	-1.0	-53.22	303.81	5.83	-47.39
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300008115675	0	45	-1.0	-53.31	358.58	7.41	-45.90
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115676	0	42	-1.0	-54.75	341.62	6.48	-48.27
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008115677	0	37	-1.0	-55.00	321.52	4.95	-50.05
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008115678	0	39	-1.0	-55.08	335.12	5.92	-49.16
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115679	0	46	-1.0	-54.54	380.72	5.46	-49.08
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115680	0	48	-1.0	-51.56	389.73	7.59	-43.97
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008115681	0	42	-1.0	-51.07	322.58	7.04	-44.03
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008115682	0	38	-1.0	-56.52	326.04	6.57	-49.95
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008115683	0	36	-1.0	-48.30	330.26	6.47	-41.83
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300008115684	0	37	-1.0	-49.68	308.76	4.04	-45.64
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008115685	0	40	-1.0	-56.73	338.73	6.13	-50.60
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008115686	0	38	-1.0	-57.60	314.74	1.51	-56.09
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008115687	0	37	-1.0	-58.63	322.15	5.19	-53.44
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1	REAL300008115688	0	42	-1.0	-51.67	332.10	5.76	-45.91
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115689	0	40	-1.0	-61.11	350.48	1.18	-59.93
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008115690	0	36	-1.0	-53.84	308.17	5.15	-48.69
CSC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115691	0	36	-1.0	-52.07	314.08	6.03	-46.04
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008115692	0	38	-1.0	-53.15	336.14	6.75	-46.40
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115693	0	43	-1.0	-49.98	343.90	6.67	-43.31
CCN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])N=C1C	REAL300008115694	0	38	-1.0	-54.74	319.46	4.80	-49.94
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008115695	0	38	-1.0	-54.12	313.18	4.72	-49.40
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300008115696	0	37	-1.0	-52.77	303.46	5.25	-47.52
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008115697	0	44	-1.0	-54.12	369.67	6.84	-47.28
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(F)(F)F	REAL300008115698	0	38	-1.0	-53.92	328.28	6.52	-47.40
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008115699	0	38	-1.0	-49.81	346.68	5.76	-44.05
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008115700	0	41	-1.0	-49.91	337.88	6.38	-43.53
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C12	REAL300008115701	0	40	-1.0	-50.26	340.30	4.75	-45.51
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115702	0	39	-1.0	-52.83	343.74	5.47	-47.36
COCC1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115703	0	39	-1.0	-51.00	327.96	4.50	-46.50
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=C2O1	REAL300008115704	0	43	-1.0	-54.71	349.05	6.31	-48.40
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300008115705	0	35	-1.0	-54.69	312.36	6.04	-48.65
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300008115706	0	44	-1.0	-62.04	370.48	3.51	-58.53
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008115707	0	39	-1.0	-49.94	344.82	5.39	-44.55
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008115708	0	40	-1.0	-61.33	337.32	5.82	-55.51
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008115709	0	35	-1.0	-52.79	325.93	6.48	-46.31
CC1CC2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC=C2O1	REAL300008115710	0	40	-1.0	-51.64	330.07	5.37	-46.27
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115711	0	44	-1.0	-51.71	326.77	7.89	-43.82
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115712	0	44	-1.0	-56.73	353.88	3.63	-53.10
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008115713	0	43	-1.0	-50.12	379.65	8.41	-41.71
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008115714	0	38	-1.0	-49.79	339.89	5.50	-44.29
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008115715	0	38	-1.0	-49.55	357.00	6.22	-43.33
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C2)=CO1	REAL300008115716	0	41	-1.0	-57.89	350.29	4.07	-53.82
CN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C(F)(F)F)=N1	REAL300008115717	0	35	-1.0	-49.28	303.47	3.60	-45.68
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008115718	0	35	-1.0	-51.61	303.65	5.41	-46.20
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008115719	0	35	-1.0	-48.86	299.12	3.40	-45.46
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=N1	REAL300008115720	0	35	-1.0	-50.88	300.30	1.42	-49.46
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008115721	0	40	-1.0	-51.86	326.59	5.41	-46.45
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300008115722	0	39	-1.0	-52.69	316.44	6.80	-45.89
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=N2)C=C1	REAL300008115723	0	42	-1.0	-50.60	356.43	6.58	-44.02
CC1CC2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC(Cl)=C2O1	REAL300008115724	0	40	-1.0	-49.57	347.45	6.12	-43.45
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008115725	0	37	-1.0	-48.85	320.02	6.31	-42.54
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=N1	REAL300008115726	0	43	-1.0	-54.66	361.63	5.76	-48.90
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008115727	0	34	-1.0	-50.58	305.14	4.24	-46.34
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115728	0	40	-1.0	-53.49	324.93	5.39	-48.10
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C2C=C1	REAL300008115729	0	41	-1.0	-52.88	340.27	7.69	-45.19
COC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])SC=C1	REAL300008115730	0	33	-1.0	-54.40	294.94	3.76	-50.64
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115731	0	40	-1.0	-52.76	325.64	5.21	-47.55
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008115732	0	37	-1.0	-54.44	307.57	4.91	-49.53
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008115733	0	37	-1.0	-52.49	322.19	4.92	-47.57
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008115734	0	37	-1.0	-56.85	308.85	4.61	-52.24
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008115735	0	38	-1.0	-52.58	335.63	7.06	-45.52
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C21	REAL300008115736	0	44	-1.0	-53.08	347.33	5.31	-47.77
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008115737	0	34	-1.0	-45.92	308.69	4.08	-41.84
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115738	0	40	-1.0	-59.34	327.19	5.49	-53.85
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115739	0	40	-1.0	-47.99	325.54	6.71	-41.28
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1[N+](=O)[O-]	REAL300008115740	0	40	-1.0	-67.72	327.44	8.01	-59.71
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008115741	0	40	-1.0	-59.02	327.91	6.83	-52.19
COC1=CC=C(CCS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115742	0	42	-1.0	-54.41	348.41	5.84	-48.57
COC1=CN=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115743	0	35	-1.0	-50.99	297.85	2.21	-48.78
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])S1	REAL300008115744	0	41	-1.0	-52.06	346.28	6.44	-45.62
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008115745	0	39	-1.0	-51.70	323.07	7.11	-44.59
COC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC(OC)=C1	REAL300008115746	0	40	-1.0	-53.85	332.06	3.37	-50.48
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1CCCCC1	REAL300008115747	0	44	-1.0	-52.24	339.68	6.71	-45.53
CC1=CC=C(CCS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115748	0	41	-1.0	-53.06	340.31	7.21	-45.85
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-])OCO2	REAL300008115749	0	38	-1.0	-54.35	306.82	4.20	-50.15
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008115750	0	35	-1.0	-54.25	299.96	5.35	-48.90
COC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1Cl	REAL300008115751	0	36	-1.0	-48.46	318.77	4.63	-43.83
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC=C21	REAL300008115752	0	38	-1.0	-56.22	322.11	6.36	-49.86
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300008115753	0	40	-1.0	-64.11	323.20	6.61	-57.50
CC1=NC2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C2O1	REAL300008115754	0	37	-1.0	-52.42	317.54	2.67	-49.75
CCC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1CC	REAL300008115755	0	44	-1.0	-52.77	350.92	7.58	-45.19
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115756	0	40	-1.0	-47.07	326.28	7.19	-39.88
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115757	0	42	-1.0	-54.18	333.59	6.63	-47.55
CC1=C(C)SC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115758	0	35	-1.0	-51.24	307.50	5.42	-45.82
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115759	0	33	-1.0	-49.18	290.02	2.97	-46.21
CCC1=NC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])S1	REAL300008115760	0	34	-1.0	-48.79	304.59	3.43	-45.36
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=N1	REAL300008115761	0	39	-1.0	-53.57	321.35	4.62	-48.95
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])S1	REAL300008115762	0	35	-1.0	-52.84	306.48	5.52	-47.32
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008115763	0	38	-1.0	-55.88	311.55	6.67	-49.21
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008115764	0	35	-1.0	-52.30	298.15	3.68	-48.62
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC(C)=C1F	REAL300008115765	0	38	-1.0	-49.47	320.92	6.35	-43.12
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008115766	0	39	-1.0	-51.60	329.04	4.53	-47.07
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008115767	0	45	-1.0	-52.76	375.76	6.43	-46.33
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300008115768	0	36	-1.0	-54.85	305.42	4.95	-49.90
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008115769	0	34	-1.0	-55.24	302.43	4.64	-50.60
CC1=NC(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CS1	REAL300008115770	0	34	-1.0	-52.19	305.42	3.26	-48.93
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008115771	0	35	-1.0	-50.43	315.47	6.12	-44.31
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1Cl	REAL300008115772	0	35	-1.0	-49.55	309.35	6.12	-43.43
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008115773	0	38	-1.0	-52.83	321.16	5.76	-47.07
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C2)=N1	REAL300008115774	0	41	-1.0	-51.47	360.13	6.47	-45.00
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008115775	0	40	-1.0	-55.28	322.05	6.31	-48.97
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008115776	0	39	-1.0	-58.42	338.19	2.63	-55.79
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008115777	0	41	-1.0	-51.43	334.56	5.23	-46.20
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008115778	0	35	-1.0	-51.26	318.67	6.11	-45.15
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115779	0	57	-1.0	-51.56	454.23	9.93	-41.63
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115780	0	45	-1.0	-49.45	362.86	6.43	-43.02
COC(CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-])C1CCCC1	REAL300008115781	0	45	-1.0	-51.83	347.76	5.30	-46.53
COC(CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-])C1CCCCC1	REAL300008115782	0	48	-1.0	-50.18	366.55	5.86	-44.32
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008115783	0	46	-1.0	-48.86	390.71	8.11	-40.75
CCOC(CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-])C1CC1	REAL300008115784	0	42	-1.0	-53.16	339.08	5.17	-47.99
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(C)C	REAL300008115785	0	51	-1.0	-52.15	405.27	8.05	-44.10
CCC1=NC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CN1CC1CC1	REAL300008115786	0	45	-1.0	-61.06	374.52	6.90	-54.16
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008115787	0	35	-1.0	-49.08	313.28	4.29	-44.79
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008115788	0	40	-1.0	-48.60	329.25	7.08	-41.52
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115789	0	39	-1.0	-48.90	320.27	4.92	-43.98
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008115790	0	45	-1.0	-53.46	376.20	7.27	-46.19
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115791	0	35	-1.0	-48.36	314.37	3.66	-44.70
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008115792	0	43	-1.0	-49.37	373.11	8.83	-40.54
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008115793	0	42	-1.0	-55.32	333.48	8.22	-47.10
CCC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C(C)C=C1OC	REAL300008115794	0	45	-1.0	-53.05	351.88	6.29	-46.76
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008115795	0	38	-1.0	-48.95	345.09	6.89	-42.06
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=N1	REAL300008115796	0	34	-1.0	-59.18	302.99	3.85	-55.33
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300008115797	0	41	-1.0	-56.66	325.08	8.17	-48.49
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=N1	REAL300008115798	0	41	-1.0	-51.03	342.29	3.29	-47.74
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115799	0	36	-1.0	-48.42	307.60	4.97	-43.45
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(C)C	REAL300008115800	0	48	-1.0	-52.63	383.77	7.25	-45.38
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1F	REAL300008115801	0	44	-1.0	-53.17	351.48	7.01	-46.16
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008115802	0	51	-1.0	-51.79	400.68	9.39	-42.40
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115803	0	42	-1.0	-49.71	332.44	5.06	-44.65
CN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C(C)(C)C)=N1	REAL300008115804	0	44	-1.0	-54.29	345.53	5.36	-48.93
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008115805	0	42	-1.0	-53.19	342.43	5.13	-48.06
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115806	0	35	-1.0	-44.35	300.68	3.67	-40.68
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115807	0	39	-1.0	-52.99	333.42	5.02	-47.97
C=CCCC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115808	0	42	-1.0	-52.00	351.10	7.79	-44.21
CCC1=NN(C)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115809	0	38	-1.0	-49.71	314.20	3.52	-46.19
CCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(C)C	REAL300008115810	0	54	-1.0	-52.16	426.77	8.83	-43.33
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008115811	0	36	-1.0	-51.56	322.52	6.72	-44.84
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(C)(C)C	REAL300008115812	0	54	-1.0	-52.41	417.91	8.72	-43.69
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1CC	REAL300008115813	0	48	-1.0	-52.00	388.42	7.52	-44.48
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115814	0	38	-1.0	-47.64	314.20	6.97	-40.67
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115815	0	38	-1.0	-50.61	335.92	6.77	-43.84
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008115816	0	36	-1.0	-54.30	320.03	6.63	-47.67
CCCC1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115817	0	41	-1.0	-54.14	327.00	7.49	-46.65
COC1=NC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115818	0	35	-1.0	-52.07	295.85	2.27	-49.80
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115819	0	48	-1.0	-54.95	390.35	7.88	-47.07
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008115820	0	37	-1.0	-52.90	303.69	5.28	-47.62
CC1=CSC(C)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115821	0	35	-1.0	-50.38	293.28	5.57	-44.81
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008115822	0	39	-1.0	-50.41	323.79	4.68	-45.73
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300008115823	0	39	-1.0	-49.26	318.18	4.48	-44.78
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008115824	0	42	-1.0	-51.93	338.54	5.56	-46.37
CC1(C)COC2=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=NN2C1	REAL300008115825	0	43	-1.0	-56.03	346.06	3.10	-52.93
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008115826	0	38	-1.0	-51.48	341.39	5.75	-45.73
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300008115827	0	39	-1.0	-54.95	316.37	4.91	-50.04
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(C)C	REAL300008115828	0	57	-1.0	-52.05	448.27	9.61	-42.44
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300008115829	0	48	-1.0	-53.18	365.54	6.63	-46.55
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115830	0	42	-1.0	-54.38	342.89	6.47	-47.91
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(C)C	REAL300008115831	0	55	-1.0	-54.72	439.25	7.47	-47.25
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=C2O1	REAL300008115832	0	40	-1.0	-55.07	328.74	5.68	-49.39
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])S1	REAL300008115833	0	40	-1.0	-48.85	342.20	4.44	-44.41
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008115834	0	38	-1.0	-54.45	325.79	5.52	-48.93
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115835	0	37	-1.0	-62.50	313.95	4.65	-57.85
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008115836	0	41	-1.0	-50.86	319.32	4.94	-45.92
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300008115837	0	36	-1.0	-50.51	324.94	5.48	-45.03
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008115838	0	33	-1.0	-50.17	287.98	3.55	-46.62
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008115839	0	35	-1.0	-54.66	313.17	6.26	-48.40
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115840	0	39	-1.0	-51.95	326.14	4.66	-47.29
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1F	REAL300008115841	0	41	-1.0	-47.46	320.56	7.03	-40.43
COC1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1OC	REAL300008115842	0	40	-1.0	-51.06	329.96	4.69	-46.37
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300008115843	0	35	-1.0	-52.37	299.38	5.14	-47.23
CN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C2CCCC2)=N1	REAL300008115844	0	45	-1.0	-51.92	353.97	5.69	-46.23
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115845	0	44	-1.0	-55.04	351.15	5.58	-49.46
CCCCN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=N1	REAL300008115846	0	44	-1.0	-50.74	356.14	5.52	-45.22
CN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C2CC2)=N1	REAL300008115847	0	39	-1.0	-52.35	324.39	4.80	-47.55
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008115848	0	36	-1.0	-54.43	313.15	4.58	-49.85
CN1N=NC2=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=CC=C21	REAL300008115849	0	37	-1.0	-58.32	314.40	3.56	-54.76
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Br	REAL300008115850	0	38	-1.0	-53.30	320.27	6.73	-46.57
CC1(C)CCCN(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C1	REAL300008115851	0	43	-1.0	-51.40	328.30	5.39	-46.01
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008115852	0	38	-1.0	-47.48	344.22	5.99	-41.49
CN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C2CCC2)=N1	REAL300008115853	0	42	-1.0	-52.00	338.93	5.24	-46.76
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115854	0	50	-1.0	-53.40	376.12	8.52	-44.88
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008115855	0	38	-1.0	-46.35	344.10	6.65	-39.70
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008115856	0	42	-1.0	-54.99	348.59	5.46	-49.53
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008115857	0	36	-1.0	-52.54	314.08	5.93	-46.61
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008115858	0	43	-1.0	-53.61	367.01	7.85	-45.76
COC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300008115859	0	41	-1.0	-67.97	339.31	6.21	-61.76
CCCC1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115860	0	41	-1.0	-50.27	337.13	6.96	-43.31
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115861	0	39	-1.0	-50.68	317.70	4.38	-46.30
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115862	0	41	-1.0	-48.59	315.00	4.65	-43.94
CC(C)(C)N1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=N1	REAL300008115863	0	41	-1.0	-49.09	338.95	4.51	-44.58
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300008115864	0	39	-1.0	-50.65	316.07	3.93	-46.72
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CN=C1C(F)(F)F	REAL300008115865	0	37	-1.0	-50.78	323.39	4.50	-46.28
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008115866	0	35	-1.0	-47.98	318.72	5.85	-42.13
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115867	0	43	-1.0	-52.49	357.45	6.81	-45.68
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008115868	0	43	-1.0	-52.00	342.56	8.10	-43.90
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008115869	0	38	-1.0	-49.62	338.41	5.89	-43.73
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008115870	0	38	-1.0	-50.87	316.26	5.44	-45.43
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300008115871	0	39	-1.0	-58.29	328.15	3.24	-55.05
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115872	0	42	-1.0	-50.39	370.08	5.78	-44.61
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008115873	0	32	-1.0	-47.06	284.83	5.04	-42.02
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008115874	0	39	-1.0	-49.82	322.15	6.89	-42.93
COC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=CS1	REAL300008115875	0	33	-1.0	-52.81	293.51	3.54	-49.27
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008115876	0	42	-1.0	-49.59	338.56	5.63	-43.96
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115877	0	41	-1.0	-52.05	333.96	4.82	-47.23
CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115878	0	46	-1.0	-52.65	344.37	5.99	-46.66
CN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C2CCOCC2)=N1	REAL300008115879	0	46	-1.0	-52.03	363.34	3.90	-48.13
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115880	0	38	-1.0	-48.45	326.11	6.31	-42.14
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008115881	0	36	-1.0	-53.56	312.28	4.33	-49.23
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008115882	0	47	-1.0	-51.81	369.37	7.66	-44.15
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])S1	REAL300008115883	0	33	-1.0	-50.43	298.22	3.28	-47.15
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=NC=CC=C12	REAL300008115884	0	43	-1.0	-58.31	341.20	7.13	-51.18
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008115885	0	40	-1.0	-51.09	329.87	5.10	-45.99
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300008115886	0	35	-1.0	-48.09	307.14	3.50	-44.59
CCOCC1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115887	0	42	-1.0	-50.96	349.82	5.47	-45.49
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115888	0	42	-1.0	-53.19	352.39	6.19	-47.00
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008115889	0	45	-1.0	-53.22	360.97	5.75	-47.47
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008115890	0	43	-1.0	-51.03	360.41	7.58	-43.45
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300008115891	0	35	-1.0	-51.26	283.55	5.53	-45.73
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC(C)=C1Br	REAL300008115892	0	38	-1.0	-49.69	331.58	6.76	-42.93
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300008115893	0	41	-1.0	-54.56	326.44	7.66	-46.90
CN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008115894	0	42	-1.0	-52.96	345.27	6.16	-46.80
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008115895	0	36	-1.0	-50.80	314.72	6.14	-44.66
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008115896	0	36	-1.0	-51.51	327.09	6.80	-44.71
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008115897	0	36	-1.0	-50.18	329.60	6.70	-43.48
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300008115898	0	37	-1.0	-61.23	316.84	-1.01	-62.24
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008115899	0	35	-1.0	-56.73	299.33	5.40	-51.33
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300008115900	0	38	-1.0	-51.11	308.35	5.59	-45.52
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008115901	0	34	-1.0	-51.63	304.84	4.41	-47.22
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCOC1CCOC1	REAL300008115902	0	40	-1.0	-52.54	328.43	2.24	-50.30
CC1=NC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008115903	0	41	-1.0	-55.40	352.33	3.74	-51.66
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008115904	0	49	-1.0	-53.71	350.62	7.91	-45.80
CC1(C)COC(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C1	REAL300008115905	0	42	-1.0	-51.65	335.26	4.35	-47.30
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300008115906	0	35	-1.0	-60.23	304.60	0.72	-59.51
CC(C)(CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-])C(C)(F)F	REAL300008115907	0	40	-1.0	-50.44	314.00	5.34	-45.10
CS(=O)(=O)CCCCS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115908	0	40	-1.0	-62.81	344.12	1.86	-60.95
CC1(C)CCC(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])OC1	REAL300008115909	0	45	-1.0	-53.72	348.31	5.17	-48.55
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008115910	0	42	-1.0	-49.97	345.53	7.15	-42.82
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008115911	0	36	-1.0	-60.34	322.70	3.90	-56.44
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008115912	0	42	-1.0	-57.20	356.99	7.94	-49.26
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008115913	0	41	-1.0	-53.36	327.37	2.42	-50.94
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008115914	0	45	-1.0	-50.24	342.64	6.87	-43.37
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008115915	0	36	-1.0	-52.33	318.21	6.15	-46.18
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC=C21	REAL300008115916	0	54	-1.0	-51.94	403.43	9.17	-42.77
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115917	0	43	-1.0	-51.36	350.08	6.12	-45.24
COC1=CSC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1OC	REAL300008115918	0	37	-1.0	-49.39	323.35	3.58	-45.81
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008115919	0	44	-1.0	-51.12	334.18	5.46	-45.66
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115920	0	43	-1.0	-55.29	349.83	6.74	-48.55
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008115921	0	36	-1.0	-55.82	324.02	5.95	-49.87
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(F)=C1	REAL300008115922	0	36	-1.0	-54.65	312.04	4.61	-50.04
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008115923	0	36	-1.0	-49.13	318.71	4.41	-44.72
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115924	0	38	-1.0	-50.15	316.01	4.85	-45.30
CN1C=CC2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC=C21	REAL300008115925	0	39	-1.0	-54.30	326.78	6.53	-47.77
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008115926	0	41	-1.0	-51.55	352.74	5.51	-46.04
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115927	0	45	-1.0	-55.69	365.83	7.40	-48.29
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008115928	0	43	-1.0	-49.72	361.70	7.60	-42.12
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115929	0	38	-1.0	-54.43	302.90	6.73	-47.70
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008115930	0	33	-1.0	-50.80	311.65	3.96	-46.84
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115931	0	43	-1.0	-50.19	356.70	6.39	-43.80
CCN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C2CC2)=N1	REAL300008115932	0	42	-1.0	-52.22	345.78	5.66	-46.56
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=NSN=C2C=C1	REAL300008115933	0	36	-1.0	-52.86	307.27	4.13	-48.73
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008115934	0	38	-1.0	-51.08	335.62	7.54	-43.54
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008115935	0	42	-1.0	-51.40	364.77	8.93	-42.47
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008115936	0	31	-1.0	-47.68	301.19	2.99	-44.69
CCC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1Br	REAL300008115937	0	38	-1.0	-49.59	332.91	6.89	-42.70
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115938	0	45	-1.0	-49.18	360.10	6.13	-43.05
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300008115939	0	29	-1.0	-47.16	283.22	4.35	-42.81
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115940	0	46	-1.0	-56.10	374.99	5.39	-50.71
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008115941	0	38	-1.0	-51.28	325.81	7.63	-43.65
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115942	0	40	-1.0	-48.92	323.66	2.63	-46.29
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008115943	0	39	-1.0	-52.26	311.34	6.96	-45.30
CC1(C)CCN(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CC1	REAL300008115944	0	43	-1.0	-50.34	326.76	5.07	-45.27
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008115945	0	47	-1.0	-52.30	375.27	5.39	-46.91
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115946	0	35	-1.0	-49.95	313.00	2.78	-47.17
COC1=NC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300008115947	0	38	-1.0	-50.64	320.26	2.16	-48.48
CC(C)CN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=N1	REAL300008115948	0	41	-1.0	-48.30	337.45	4.95	-43.35
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115949	0	41	-1.0	-51.52	333.26	4.66	-46.86
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008115950	0	42	-1.0	-53.09	337.41	2.88	-50.21
COCC1=CC(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=NO1	REAL300008115951	0	38	-1.0	-59.03	329.42	2.74	-56.29
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008115952	0	37	-1.0	-51.31	319.57	6.93	-44.38
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])N=C1	REAL300008115953	0	43	-1.0	-56.08	347.22	5.43	-50.65
CC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115954	0	38	-1.0	-48.35	315.44	4.24	-44.11
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300008115955	0	39	-1.0	-48.88	321.93	4.94	-43.94
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008115956	0	39	-1.0	-51.20	328.29	6.25	-44.95
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008115957	0	34	-1.0	-56.30	303.03	3.96	-52.34
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300008115958	0	37	-1.0	-54.76	308.97	5.39	-49.37
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=NN1C(C)C	REAL300008115959	0	41	-1.0	-56.19	332.24	4.56	-51.63
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300008115960	0	46	-1.0	-51.01	380.52	8.18	-42.83
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008115961	0	37	-1.0	-58.66	310.82	5.48	-53.18
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300008115962	0	35	-1.0	-49.23	305.75	4.70	-44.53
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115963	0	40	-1.0	-55.29	327.76	0.52	-54.77
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300008115964	0	39	-1.0	-50.06	297.19	2.78	-47.28
N#CC1CCN(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CC1	REAL300008115965	0	38	-1.0	-54.59	312.62	4.46	-50.13
COC1=CC=NC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115966	0	35	-1.0	-55.99	299.43	2.42	-53.57
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C(F)F)=C1	REAL300008115967	0	39	-1.0	-59.27	325.73	5.57	-53.70
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])N=C1	REAL300008115968	0	35	-1.0	-49.46	297.12	2.02	-47.44
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115969	0	38	-1.0	-50.23	335.12	3.24	-46.99
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008115970	0	37	-1.0	-52.31	304.38	5.24	-47.07
CCOC1=CC=CN=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300008115971	0	38	-1.0	-59.41	319.36	4.31	-55.10
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=NC=CC=C12	REAL300008115972	0	40	-1.0	-58.53	327.98	6.47	-52.06
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300008115973	0	36	-1.0	-53.17	304.11	4.88	-48.29
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008115974	0	34	-1.0	-54.05	302.20	4.01	-50.04
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008115975	0	39	-1.0	-50.63	342.62	5.87	-44.76
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300008115976	0	45	-1.0	-54.69	357.93	7.06	-47.63
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008115977	0	37	-1.0	-55.96	315.48	5.42	-50.54
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008115978	0	44	-1.0	-51.67	352.89	7.60	-44.07
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300008115979	0	29	-1.0	-45.75	282.64	4.42	-41.33
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008115980	0	39	-1.0	-55.09	320.56	5.53	-49.56
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008115981	0	35	-1.0	-51.47	304.89	5.78	-45.69
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008115982	0	36	-1.0	-55.65	315.54	5.32	-50.33
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008115983	0	38	-1.0	-58.39	334.92	2.53	-55.86
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008115984	0	36	-1.0	-51.70	318.60	4.55	-47.15
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1OC	REAL300008115985	0	43	-1.0	-54.16	340.99	4.40	-49.76
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008115986	0	35	-1.0	-48.37	299.05	5.72	-42.65
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008115987	0	43	-1.0	-49.28	330.23	5.52	-43.76
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008115988	0	38	-1.0	-54.32	309.72	4.05	-50.27
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008115989	0	48	-1.0	-51.49	376.08	8.83	-42.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008115990	0	38	-1.0	-51.71	318.33	4.21	-47.50
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300008115991	0	32	-1.0	-48.22	283.43	5.14	-43.08
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300008115992	0	32	-1.0	-49.21	295.51	5.64	-43.57
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008115993	0	37	-1.0	-50.92	300.69	6.99	-43.93
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008115994	0	38	-1.0	-52.29	337.02	6.86	-45.43
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008115995	0	42	-1.0	-58.96	358.98	1.37	-57.59
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008115996	0	43	-1.0	-50.73	356.85	6.86	-43.87
CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008115997	0	35	-1.0	-48.42	301.66	5.78	-42.64
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008115998	0	38	-1.0	-52.26	319.70	5.51	-46.75
COCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008115999	0	39	-1.0	-52.82	329.29	4.74	-48.08
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300008116000	0	38	-1.0	-51.06	323.25	2.63	-48.43
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116030	0	36	-1.0	-52.56	305.51	4.91	-47.65
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116031	0	43	-1.0	-61.27	349.81	5.39	-55.88
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300008116032	0	43	-1.0	-55.78	365.33	2.12	-53.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008116033	0	50	-1.0	-49.54	360.90	6.72	-42.82
CC1=NC2=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=CC=C2C=C1	REAL300008116034	0	40	-1.0	-62.61	332.33	6.51	-56.10
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008116035	0	40	-1.0	-53.34	339.73	6.74	-46.60
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008116036	0	43	-1.0	-50.59	351.28	3.34	-47.25
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116037	0	46	-1.0	-59.28	392.48	6.16	-53.12
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116038	0	46	-1.0	-55.22	384.17	6.26	-48.96
CCCN1C=NC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116039	0	38	-1.0	-57.10	322.16	5.80	-51.30
COCCOCCOCCS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116040	0	46	-1.0	-54.99	383.51	2.17	-52.82
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116041	0	48	-1.0	-50.27	375.59	6.24	-44.03
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116042	0	39	-1.0	-49.89	342.39	5.37	-44.52
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008116043	0	40	-1.0	-51.42	332.11	2.51	-48.91
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116044	0	36	-1.0	-50.68	324.63	4.97	-45.71
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008116045	0	36	-1.0	-48.19	315.22	5.18	-43.01
COC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008116046	0	38	-1.0	-50.01	329.35	5.80	-44.21
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116047	0	38	-1.0	-48.14	321.44	6.25	-41.89
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116048	0	38	-1.0	-52.24	321.36	6.23	-46.01
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1C(F)(F)F	REAL300008116049	0	38	-1.0	-48.45	328.27	6.56	-41.89
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116050	0	41	-1.0	-50.95	319.35	6.29	-44.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCCN1CCOCC1	REAL300008116051	0	44	-1.0	-51.72	348.72	1.83	-49.89
CCOC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116052	0	39	-1.0	-49.94	323.97	4.97	-44.97
COCCN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300008116053	0	39	-1.0	-53.60	333.95	2.41	-51.19
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008116054	0	39	-1.0	-54.22	338.57	5.56	-48.66
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1C	REAL300008116055	0	59	-1.0	-48.39	461.22	9.63	-38.76
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008116056	0	40	-1.0	-53.49	348.51	7.03	-46.46
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008116057	0	37	-1.0	-55.98	313.78	5.09	-50.89
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008116058	0	35	-1.0	-50.31	320.09	6.19	-44.12
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300008116059	0	35	-1.0	-51.33	313.94	6.33	-45.00
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008116060	0	39	-1.0	-61.45	338.43	2.91	-58.54
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116061	0	35	-1.0	-48.39	316.55	6.32	-42.07
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116062	0	35	-1.0	-47.59	300.65	5.75	-41.84
COCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116063	0	39	-1.0	-51.65	316.28	4.87	-46.78
COC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1Br	REAL300008116064	0	36	-1.0	-48.92	323.76	5.01	-43.91
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300008116065	0	40	-1.0	-52.44	344.61	4.72	-47.72
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008116066	0	35	-1.0	-48.98	318.07	3.86	-45.12
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008116067	0	35	-1.0	-48.88	313.18	3.65	-45.23
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C2O1	REAL300008116068	0	43	-1.0	-51.70	350.10	5.99	-45.71
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008116069	0	35	-1.0	-59.69	312.42	4.09	-55.60
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116070	0	43	-1.0	-62.06	352.38	4.00	-58.06
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116071	0	44	-1.0	-56.80	377.88	4.23	-52.57
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116072	0	36	-1.0	-52.22	304.16	5.54	-46.68
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300008116073	0	40	-1.0	-54.29	352.77	1.78	-52.51
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116074	0	46	-1.0	-54.41	393.37	2.80	-51.61
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116075	0	43	-1.0	-67.21	356.88	4.46	-62.75
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300008116076	0	43	-1.0	-53.39	374.24	2.68	-50.71
CCC1=CC=C(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116077	0	41	-1.0	-52.84	340.20	7.21	-45.63
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=CS1	REAL300008116078	0	35	-1.0	-52.88	308.95	5.63	-47.25
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008116079	0	47	-1.0	-49.84	387.59	5.48	-44.36
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008116080	0	44	-1.0	-57.15	368.27	4.76	-52.39
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116081	0	41	-1.0	-55.84	356.27	3.42	-52.42
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116082	0	42	-1.0	-59.99	359.83	2.38	-57.61
CC1=CC=C(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300008116083	0	41	-1.0	-52.58	337.35	6.79	-45.79
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Br	REAL300008116084	0	39	-1.0	-53.41	345.89	5.91	-47.50
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300008116085	0	46	-1.0	-55.97	381.59	7.72	-48.25
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008116086	0	36	-1.0	-48.16	325.56	5.64	-42.52
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116087	0	39	-1.0	-54.63	344.02	5.62	-49.01
CC1(C)CN(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CCO1	REAL300008116088	0	41	-1.0	-49.90	320.29	3.21	-46.69
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2S1	REAL300008116089	0	46	-1.0	-51.26	385.64	6.70	-44.56
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116090	0	39	-1.0	-52.42	338.63	6.04	-46.38
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C21	REAL300008116091	0	44	-1.0	-51.79	363.23	6.29	-45.50
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116092	0	39	-1.0	-60.00	338.88	-0.40	-60.40
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300008116093	0	38	-1.0	-50.79	333.24	6.00	-44.79
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008116094	0	35	-1.0	-48.69	329.17	6.73	-41.96
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008116095	0	38	-1.0	-55.62	337.49	7.80	-47.82
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300008116096	0	35	-1.0	-55.36	322.46	6.73	-48.63
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008116097	0	38	-1.0	-51.22	326.64	7.27	-43.95
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008116098	0	38	-1.0	-53.64	335.21	6.79	-46.85
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008116099	0	43	-1.0	-52.25	356.18	6.20	-46.05
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008116100	0	46	-1.0	-56.06	383.81	8.35	-47.71
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116101	0	45	-1.0	-55.99	381.63	6.59	-49.40
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008116102	0	43	-1.0	-58.21	375.04	1.92	-56.29
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008116103	0	41	-1.0	-54.28	341.07	7.91	-46.37
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1N(C)C	REAL300008116104	0	43	-1.0	-50.30	348.46	5.70	-44.60
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008116105	0	38	-1.0	-49.60	336.46	6.80	-42.80
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008116106	0	37	-1.0	-54.80	308.86	2.00	-52.80
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCOCC1CCCC1	REAL300008116107	0	45	-1.0	-49.66	359.77	5.32	-44.34
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300008116108	0	39	-1.0	-53.32	327.80	5.05	-48.27
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116109	0	41	-1.0	-60.67	359.47	3.09	-57.58
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300008116110	0	36	-1.0	-48.38	329.04	6.53	-41.85
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116111	0	44	-1.0	-54.11	342.09	5.18	-48.93
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008116112	0	40	-1.0	-47.18	343.92	3.32	-43.86
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C12	REAL300008116113	0	39	-1.0	-53.60	335.08	2.76	-50.84
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008116114	0	43	-1.0	-53.00	370.40	4.87	-48.13
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CN=C21	REAL300008116115	0	37	-1.0	-50.96	318.57	4.15	-46.81
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008116116	0	38	-1.0	-50.60	339.70	7.63	-42.97
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(CC)=C1	REAL300008116117	0	50	-1.0	-49.38	353.83	8.61	-40.77
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008116118	0	39	-1.0	-59.37	319.78	5.06	-54.31
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008116119	0	38	-1.0	-50.17	342.82	3.10	-47.07
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008116120	0	41	-1.0	-56.89	337.81	8.50	-48.39
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1F	REAL300008116121	0	39	-1.0	-48.65	316.97	4.57	-44.08
CC1(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CCCCC1	REAL300008116122	0	44	-1.0	-50.70	324.86	6.35	-44.35
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008116123	0	41	-1.0	-53.48	332.96	6.34	-47.14
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008116125	0	40	-1.0	-51.28	343.28	6.32	-44.96
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116126	0	39	-1.0	-51.93	345.63	5.27	-46.66
CC1=CC=C(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(F)=C1	REAL300008116127	0	38	-1.0	-57.82	324.37	6.47	-51.35
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008116129	0	32	-1.0	-52.41	296.75	5.86	-46.55
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008116130	0	45	-1.0	-54.23	362.07	8.09	-46.14
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=NO1	REAL300008116131	0	43	-1.0	-52.20	355.44	5.76	-46.44
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008116132	0	41	-1.0	-66.81	334.91	2.22	-64.59
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008116133	0	35	-1.0	-48.38	310.03	5.26	-43.12
CC1=C(CCS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])SC=N1	REAL300008116134	0	37	-1.0	-51.61	324.27	4.09	-47.52
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300008116135	0	42	-1.0	-52.03	321.93	6.47	-45.56
COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])CCC2=C1	REAL300008116136	0	44	-1.0	-52.41	357.81	6.71	-45.70
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300008116137	0	45	-1.0	-50.88	332.46	6.86	-44.02
CC(C)(CCS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])S(C)(=O)=O	REAL300008116138	0	43	-1.0	-56.96	348.28	1.98	-54.98
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300008116139	0	41	-1.0	-51.03	325.76	6.24	-44.79
O=C([O-])C[C@H]1CCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008116140	0	39	-1.0	-50.67	324.27	7.17	-43.50
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008116141	0	40	-1.0	-48.22	336.14	6.89	-41.33
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008116142	0	32	-1.0	-49.43	290.96	5.53	-43.90
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008116143	0	32	-1.0	-49.32	295.52	5.63	-43.69
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008116144	0	34	-1.0	-49.34	302.44	5.69	-43.65
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008116145	0	38	-1.0	-52.78	318.44	7.02	-45.76
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008116146	0	34	-1.0	-49.39	302.44	5.69	-43.70
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116147	0	37	-1.0	-57.31	310.45	5.88	-51.43
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008116148	0	34	-1.0	-61.04	292.07	6.44	-54.60
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116149	0	39	-1.0	-52.90	341.87	6.39	-46.51
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116150	0	39	-1.0	-51.16	325.56	5.24	-45.92
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1C	REAL300008116151	0	44	-1.0	-51.08	331.34	7.56	-43.52
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1	REAL300008116152	0	41	-1.0	-50.68	319.00	7.12	-43.56
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116153	0	47	-1.0	-52.38	358.42	7.54	-44.84
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008116154	0	35	-1.0	-48.96	312.95	6.02	-42.94
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008116155	0	35	-1.0	-58.20	294.42	6.28	-51.92
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008116156	0	32	-1.0	-49.29	290.95	5.54	-43.75
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116157	0	37	-1.0	-51.82	316.98	5.51	-46.31
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008116158	0	38	-1.0	-60.87	329.35	5.80	-55.07
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116159	0	44	-1.0	-51.72	350.42	7.34	-44.38
CC(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116160	0	41	-1.0	-51.21	334.01	6.97	-44.24
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116161	0	43	-1.0	-54.73	369.82	3.01	-51.72
CCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116162	0	41	-1.0	-51.82	338.61	7.23	-44.59
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Br	REAL300008116163	0	36	-1.0	-48.88	323.74	5.02	-43.86
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1Br	REAL300008116164	0	35	-1.0	-49.31	313.60	6.19	-43.12
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2)=C1	REAL300008116165	0	46	-1.0	-52.06	384.52	8.52	-43.54
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008116166	0	36	-1.0	-49.98	320.20	4.81	-45.17
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1C	REAL300008116167	0	47	-1.0	-51.94	344.75	7.99	-43.95
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008116168	0	41	-1.0	-51.02	336.67	4.99	-46.03
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116169	0	48	-1.0	-54.62	375.21	7.16	-47.46
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008116170	0	37	-1.0	-59.40	318.56	6.21	-53.19
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116171	0	36	-1.0	-52.20	320.41	5.47	-46.73
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116172	0	50	-1.0	-50.14	373.80	8.79	-41.35
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008116173	0	35	-1.0	-49.23	312.94	6.01	-43.22
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008116174	0	42	-1.0	-51.61	336.55	7.53	-44.08
COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116175	0	40	-1.0	-55.31	328.56	4.14	-51.17
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1OC	REAL300008116176	0	40	-1.0	-53.31	332.57	4.26	-49.05
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008116177	0	39	-1.0	-51.09	318.20	6.66	-44.43
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008116178	0	40	-1.0	-52.53	328.35	7.41	-45.12
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008116179	0	37	-1.0	-51.56	308.60	4.59	-46.97
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116180	0	47	-1.0	-51.81	377.67	8.52	-43.29
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1OCC	REAL300008116181	0	46	-1.0	-50.99	376.28	6.10	-44.89
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116182	0	37	-1.0	-55.78	328.06	0.00	-55.78
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300008116183	0	40	-1.0	-59.32	336.85	6.58	-52.74
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1C	REAL300008116184	0	40	-1.0	-57.23	329.84	6.42	-50.81
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=C2N=C1	REAL300008116185	0	40	-1.0	-62.06	332.13	6.56	-55.50
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300008116186	0	38	-1.0	-58.89	323.96	5.85	-53.04
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116187	0	36	-1.0	-51.66	315.89	5.38	-46.28
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116188	0	37	-1.0	-54.85	328.34	-0.04	-54.89
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008116189	0	44	-1.0	-54.38	382.86	2.89	-51.49
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116190	0	40	-1.0	-51.70	340.28	6.27	-45.43
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008116191	0	41	-1.0	-49.88	331.25	6.32	-43.56
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC=CN=C12	REAL300008116192	0	40	-1.0	-52.56	325.00	5.69	-46.87
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300008116193	0	40	-1.0	-59.64	330.44	7.64	-52.00
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116194	0	43	-1.0	-53.67	368.85	3.04	-50.63
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008116195	0	44	-1.0	-66.20	360.15	4.36	-61.84
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116196	0	38	-1.0	-56.90	334.80	2.53	-54.37
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008116197	0	42	-1.0	-56.79	344.82	8.85	-47.94
CC1CC(C)CN(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C1	REAL300008116198	0	43	-1.0	-50.29	334.42	5.38	-44.91
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008116199	0	38	-1.0	-53.48	310.40	6.81	-46.67
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008116200	0	42	-1.0	-52.39	348.02	8.45	-43.94
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116201	0	35	-1.0	-52.70	289.99	5.24	-47.46
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=CC=C12	REAL300008116202	0	46	-1.0	-51.36	363.05	6.61	-44.75
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008116203	0	33	-1.0	-59.44	296.98	3.40	-56.04
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116204	0	36	-1.0	-52.35	315.85	5.37	-46.98
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116205	0	47	-1.0	-51.21	364.21	7.83	-43.38
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300008116206	0	35	-1.0	-48.65	309.30	6.16	-42.49
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116207	0	42	-1.0	-52.02	343.08	5.85	-46.17
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008116208	0	35	-1.0	-50.38	315.52	6.09	-44.29
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300008116209	0	33	-1.0	-62.01	289.23	3.80	-58.21
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008116210	0	37	-1.0	-54.41	330.79	7.45	-46.96
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008116211	0	37	-1.0	-61.96	310.83	5.94	-56.02
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008116212	0	43	-1.0	-52.82	378.86	8.19	-44.63
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116213	0	38	-1.0	-50.54	327.34	5.53	-45.01
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300008116214	0	36	-1.0	-48.99	309.55	4.43	-44.56
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300008116215	0	35	-1.0	-48.53	300.57	5.75	-42.78
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008116216	0	43	-1.0	-51.24	379.84	8.37	-42.87
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2)C=C1	REAL300008116217	0	47	-1.0	-53.11	392.61	7.14	-45.97
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C(C)C)=C1	REAL300008116218	0	59	-1.0	-51.16	431.20	10.88	-40.28
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300008116219	0	48	-1.0	-52.69	377.69	7.66	-45.03
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008116220	0	35	-1.0	-52.14	330.71	6.54	-45.60
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300008116221	0	42	-1.0	-52.56	337.87	6.11	-46.45
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116222	0	37	-1.0	-48.50	310.56	5.89	-42.61
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116223	0	37	-1.0	-46.67	305.25	5.73	-40.94
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116224	0	40	-1.0	-52.09	335.92	7.28	-44.81
CC(C)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116225	0	44	-1.0	-51.82	355.37	7.69	-44.13
COCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116226	0	42	-1.0	-52.15	350.78	5.52	-46.63
COCCN(CCOC)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116227	0	44	-1.0	-49.96	351.53	2.32	-47.64
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116228	0	35	-1.0	-51.58	300.32	5.68	-45.90
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300008116229	0	42	-1.0	-50.89	346.28	5.63	-45.26
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116230	0	48	-1.0	-50.67	386.12	7.35	-43.32
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008116231	0	46	-1.0	-51.35	368.59	7.29	-44.06
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116232	0	45	-1.0	-50.76	367.16	6.74	-44.02
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116233	0	42	-1.0	-50.84	347.06	6.04	-44.80
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300008116234	0	36	-1.0	-48.81	319.35	4.91	-43.90
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008116235	0	36	-1.0	-52.24	329.40	5.14	-47.10
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300008116236	0	39	-1.0	-50.96	323.39	5.09	-45.87
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1OC(C)C	REAL300008116237	0	45	-1.0	-50.59	363.64	6.68	-43.91
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1	REAL300008116238	0	39	-1.0	-50.51	311.73	4.51	-46.00
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116239	0	43	-1.0	-52.87	359.19	4.51	-48.36
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300008116240	0	35	-1.0	-52.53	302.64	5.79	-46.74
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116241	0	35	-1.0	-48.36	303.62	5.83	-42.53
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1C	REAL300008116242	0	40	-1.0	-50.66	317.60	7.52	-43.14
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116243	0	41	-1.0	-55.83	342.96	2.74	-53.09
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008116244	0	44	-1.0	-54.08	382.84	2.89	-51.19
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116245	0	40	-1.0	-55.04	350.83	1.18	-53.86
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116246	0	40	-1.0	-56.35	335.92	3.16	-53.19
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300008116247	0	34	-1.0	-51.07	297.24	3.51	-47.56
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300008116248	0	35	-1.0	-53.02	305.18	6.21	-46.81
COC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1F	REAL300008116249	0	36	-1.0	-49.04	309.56	4.42	-44.62
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008116250	0	42	-1.0	-52.62	348.42	8.43	-44.19
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008116251	0	35	-1.0	-52.47	331.10	6.77	-45.70
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])S2)=CS1	REAL300008116252	0	38	-1.0	-51.79	353.07	5.36	-46.43
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008116253	0	52	-1.0	-50.66	408.80	8.64	-42.02
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116254	0	40	-1.0	-61.18	332.08	6.57	-54.61
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CN1C	REAL300008116255	0	40	-1.0	-54.85	338.34	2.66	-52.19
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1	REAL300008116256	0	42	-1.0	-50.85	327.02	5.74	-45.11
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008116257	0	43	-1.0	-52.69	356.89	8.87	-43.82
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300008116258	0	42	-1.0	-52.04	331.27	5.23	-46.81
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300008116259	0	40	-1.0	-53.66	320.79	6.27	-47.39
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008116260	0	37	-1.0	-52.10	305.49	4.98	-47.12
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])=C2	REAL300008116261	0	45	-1.0	-53.25	372.38	8.60	-44.65
CCN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300008116262	0	37	-1.0	-48.33	318.35	5.20	-43.13
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008116263	0	39	-1.0	-51.69	345.14	5.71	-45.98
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008116264	0	46	-1.0	-51.51	385.09	8.32	-43.19
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116265	0	40	-1.0	-53.13	335.67	6.04	-47.09
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008116266	0	42	-1.0	-49.28	360.10	6.35	-42.93
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008116267	0	35	-1.0	-70.57	299.88	4.16	-66.41
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116268	0	54	-1.0	-50.24	411.69	7.98	-42.26
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116269	0	40	-1.0	-56.05	351.38	1.65	-54.40
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300008116270	0	35	-1.0	-50.60	305.20	5.64	-44.96
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300008116271	0	45	-1.0	-52.42	359.73	7.03	-45.39
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116272	0	42	-1.0	-55.76	341.89	6.42	-49.34
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008116273	0	37	-1.0	-68.16	322.44	5.17	-62.99
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008116274	0	39	-1.0	-50.58	334.68	5.91	-44.67
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116275	0	46	-1.0	-52.89	381.04	5.48	-47.41
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116276	0	48	-1.0	-50.66	390.06	7.60	-43.06
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008116277	0	42	-1.0	-53.29	324.90	7.41	-45.88
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008116278	0	38	-1.0	-57.39	324.61	6.75	-50.64
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008116279	0	36	-1.0	-50.88	330.60	6.48	-44.40
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300008116280	0	37	-1.0	-52.04	308.65	4.05	-47.99
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008116281	0	40	-1.0	-57.45	337.20	6.29	-51.16
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008116282	0	38	-1.0	-62.73	314.45	1.49	-61.24
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008116283	0	37	-1.0	-58.36	320.86	4.95	-53.41
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1	REAL300008116284	0	42	-1.0	-50.33	333.59	5.44	-44.89
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116285	0	40	-1.0	-54.52	350.71	1.17	-53.35
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008116286	0	36	-1.0	-51.95	308.80	5.10	-46.85
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116287	0	36	-1.0	-50.93	314.41	6.04	-44.89
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008116288	0	38	-1.0	-54.47	337.52	6.57	-47.90
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116289	0	43	-1.0	-54.50	344.04	6.63	-47.87
CCN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])N=C1C	REAL300008116290	0	38	-1.0	-55.71	319.54	4.82	-50.89
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008116291	0	38	-1.0	-54.73	313.84	4.66	-50.07
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300008116292	0	37	-1.0	-51.91	305.07	4.89	-47.02
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008116293	0	44	-1.0	-54.82	367.56	6.99	-47.83
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(F)(F)F	REAL300008116294	0	38	-1.0	-48.14	328.27	6.56	-41.58
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008116295	0	38	-1.0	-49.35	346.66	5.79	-43.56
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008116296	0	41	-1.0	-49.12	337.46	6.36	-42.76
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C12	REAL300008116297	0	40	-1.0	-50.16	340.15	4.78	-45.38
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116298	0	39	-1.0	-55.36	342.64	5.64	-49.72
COCC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116299	0	39	-1.0	-53.07	329.29	4.73	-48.34
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=C2O1	REAL300008116300	0	43	-1.0	-59.61	349.83	6.29	-53.32
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300008116301	0	35	-1.0	-51.56	310.72	6.20	-45.36
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300008116302	0	44	-1.0	-68.64	370.81	3.52	-65.12
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008116303	0	39	-1.0	-51.41	343.32	5.55	-45.86
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008116304	0	40	-1.0	-58.59	339.15	5.72	-52.87
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008116305	0	35	-1.0	-53.04	324.37	6.64	-46.40
CC1CC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C2O1	REAL300008116306	0	40	-1.0	-51.46	329.76	5.37	-46.09
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116307	0	44	-1.0	-48.21	311.05	7.17	-41.04
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116308	0	44	-1.0	-55.44	354.35	3.32	-52.12
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008116309	0	43	-1.0	-51.32	379.84	8.38	-42.94
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008116310	0	38	-1.0	-51.68	343.34	5.53	-46.15
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008116311	0	38	-1.0	-49.11	356.98	6.24	-42.87
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2)=CO1	REAL300008116312	0	41	-1.0	-58.01	349.58	3.83	-54.18
CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C(F)(F)F)=N1	REAL300008116313	0	35	-1.0	-58.83	304.99	3.58	-55.25
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008116314	0	35	-1.0	-56.84	303.99	5.40	-51.44
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008116315	0	35	-1.0	-50.35	300.26	3.68	-46.67
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300008116316	0	35	-1.0	-48.11	299.91	1.44	-46.67
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008116317	0	40	-1.0	-52.22	326.31	5.39	-46.83
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300008116318	0	39	-1.0	-51.69	319.34	6.92	-44.77
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=N2)C=C1	REAL300008116319	0	42	-1.0	-50.45	356.09	6.59	-43.86
CC1CC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC(Cl)=C2O1	REAL300008116320	0	40	-1.0	-53.14	347.56	6.16	-46.98
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008116321	0	37	-1.0	-48.95	320.85	6.30	-42.65
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300008116322	0	43	-1.0	-58.48	361.56	5.81	-52.67
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008116323	0	34	-1.0	-52.88	305.23	4.22	-48.66
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116324	0	40	-1.0	-53.59	325.71	5.41	-48.18
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2C=C1	REAL300008116325	0	41	-1.0	-52.73	339.79	7.68	-45.05
COC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])SC=C1	REAL300008116326	0	33	-1.0	-55.70	296.61	3.18	-52.52
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116327	0	40	-1.0	-52.85	324.93	5.41	-47.44
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008116328	0	37	-1.0	-57.99	308.37	4.89	-53.10
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008116329	0	37	-1.0	-60.31	320.67	5.09	-55.22
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008116330	0	37	-1.0	-56.79	310.03	4.87	-51.92
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008116331	0	38	-1.0	-50.43	337.02	6.88	-43.55
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C21	REAL300008116332	0	44	-1.0	-51.78	348.41	5.61	-46.17
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008116333	0	34	-1.0	-51.08	308.94	4.24	-46.84
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116334	0	40	-1.0	-58.43	327.87	5.51	-52.92
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116335	0	40	-1.0	-45.77	327.93	6.37	-39.40
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1[N+](=O)[O-]	REAL300008116336	0	40	-1.0	-67.97	327.42	7.95	-60.02
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008116337	0	40	-1.0	-59.08	329.74	6.47	-52.61
COC1=CC=C(CCS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116338	0	42	-1.0	-52.53	349.80	5.66	-46.87
COC1=CN=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116339	0	35	-1.0	-51.18	298.41	2.52	-48.66
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300008116340	0	41	-1.0	-49.13	347.09	6.47	-42.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008116341	0	39	-1.0	-51.38	323.06	7.15	-44.23
COC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC(OC)=C1	REAL300008116342	0	40	-1.0	-54.29	333.11	3.62	-50.67
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1CCCCC1	REAL300008116343	0	44	-1.0	-49.86	341.08	6.53	-43.33
CC1=CC=C(CCS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116344	0	41	-1.0	-51.09	341.69	7.03	-44.06
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])OCO2	REAL300008116345	0	38	-1.0	-53.60	308.28	3.88	-49.72
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008116346	0	35	-1.0	-57.96	300.56	5.33	-52.63
COC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1Cl	REAL300008116347	0	36	-1.0	-48.88	319.37	4.90	-43.98
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C21	REAL300008116348	0	38	-1.0	-55.64	322.11	6.39	-49.25
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300008116349	0	40	-1.0	-63.35	323.38	6.67	-56.68
CC1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2O1	REAL300008116350	0	37	-1.0	-53.96	317.47	2.71	-51.25
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1CC	REAL300008116351	0	44	-1.0	-52.35	350.84	7.61	-44.74
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116352	0	40	-1.0	-46.93	325.82	7.12	-39.81
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116353	0	42	-1.0	-56.21	332.82	6.56	-49.65
CC1=C(C)SC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116354	0	35	-1.0	-53.08	307.88	5.42	-47.66
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116355	0	33	-1.0	-48.48	292.14	2.60	-45.88
CCC1=NC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300008116356	0	34	-1.0	-50.33	304.01	3.36	-46.97
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300008116357	0	39	-1.0	-54.34	322.63	4.83	-49.51
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300008116358	0	35	-1.0	-51.51	307.09	5.32	-46.19
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008116359	0	38	-1.0	-52.62	315.52	6.36	-46.26
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008116360	0	35	-1.0	-56.38	299.10	3.65	-52.73
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC(C)=C1F	REAL300008116361	0	38	-1.0	-48.54	319.74	6.09	-42.45
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008116362	0	39	-1.0	-51.67	328.58	4.51	-47.16
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008116363	0	45	-1.0	-53.11	375.81	6.41	-46.70
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300008116364	0	36	-1.0	-52.35	307.57	4.60	-47.75
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008116365	0	34	-1.0	-59.38	303.23	4.62	-54.76
CC1=NC(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CS1	REAL300008116366	0	34	-1.0	-57.93	304.23	3.44	-54.49
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008116367	0	35	-1.0	-51.69	314.05	6.29	-45.40
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1Cl	REAL300008116368	0	35	-1.0	-49.30	309.57	6.10	-43.20
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008116369	0	38	-1.0	-64.30	320.70	5.75	-58.55
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2)=N1	REAL300008116370	0	41	-1.0	-50.33	358.81	6.24	-44.09
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008116371	0	40	-1.0	-56.48	322.59	6.24	-50.24
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008116372	0	39	-1.0	-58.21	337.78	2.63	-55.58
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008116373	0	41	-1.0	-52.36	331.44	5.41	-46.95
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008116374	0	35	-1.0	-52.74	317.72	6.27	-46.47
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116375	0	57	-1.0	-49.98	454.17	9.97	-40.01
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116376	0	45	-1.0	-51.61	364.29	6.68	-44.93
COC(CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])C1CCCC1	REAL300008116377	0	45	-1.0	-48.78	348.66	5.10	-43.68
COC(CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])C1CCCCC1	REAL300008116378	0	48	-1.0	-52.44	369.01	5.98	-46.46
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008116379	0	46	-1.0	-49.94	391.31	8.41	-41.53
CCOC(CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])C1CC1	REAL300008116380	0	42	-1.0	-53.36	340.33	5.15	-48.21
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(C)C	REAL300008116381	0	51	-1.0	-51.83	405.28	8.10	-43.73
CCC1=NC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CN1CC1CC1	REAL300008116382	0	45	-1.0	-60.57	370.21	6.72	-53.85
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008116383	0	35	-1.0	-50.65	313.75	4.29	-46.36
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008116384	0	40	-1.0	-47.21	331.05	6.76	-40.45
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116385	0	39	-1.0	-49.70	319.64	4.89	-44.81
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008116386	0	45	-1.0	-50.17	374.02	7.27	-42.90
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116387	0	35	-1.0	-48.59	314.40	3.71	-44.88
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008116388	0	43	-1.0	-55.49	372.84	8.85	-46.64
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008116389	0	42	-1.0	-54.24	334.63	7.87	-46.37
CCC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(C)C=C1OC	REAL300008116390	0	45	-1.0	-52.03	353.86	5.96	-46.07
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008116391	0	38	-1.0	-48.97	345.42	6.88	-42.09
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=N1	REAL300008116392	0	34	-1.0	-55.95	303.15	3.88	-52.07
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300008116393	0	41	-1.0	-56.84	325.47	8.16	-48.68
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300008116394	0	41	-1.0	-48.21	341.90	3.30	-44.91
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116395	0	36	-1.0	-49.41	304.43	5.17	-44.24
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(C)C	REAL300008116396	0	48	-1.0	-52.30	383.78	7.30	-45.00
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300008116397	0	44	-1.0	-48.04	352.07	7.30	-40.74
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008116398	0	51	-1.0	-53.79	399.47	9.56	-44.23
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116399	0	42	-1.0	-50.35	332.01	5.03	-45.32
CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C(C)(C)C)=N1	REAL300008116400	0	44	-1.0	-52.88	349.34	5.26	-47.62
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008116401	0	42	-1.0	-53.03	340.49	5.09	-47.94
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116402	0	35	-1.0	-52.27	302.39	3.81	-48.46
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116403	0	39	-1.0	-56.02	332.32	5.19	-50.83
C=CCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116404	0	42	-1.0	-51.77	351.42	7.79	-43.98
CCC1=NN(C)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116405	0	38	-1.0	-50.05	314.47	3.53	-46.52
CCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(C)C	REAL300008116406	0	54	-1.0	-49.99	426.79	8.88	-41.11
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008116407	0	36	-1.0	-53.02	322.47	6.74	-46.28
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(C)(C)C	REAL300008116408	0	54	-1.0	-50.12	417.85	8.77	-41.35
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1CC	REAL300008116409	0	48	-1.0	-51.58	388.39	7.56	-44.02
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116410	0	38	-1.0	-47.60	314.29	6.97	-40.63
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116411	0	38	-1.0	-52.84	334.72	6.95	-45.89
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008116412	0	36	-1.0	-51.82	320.38	6.63	-45.19
CCCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116413	0	41	-1.0	-51.59	327.77	7.29	-44.30
COC1=NC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116414	0	35	-1.0	-55.40	296.93	2.26	-53.14
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116415	0	48	-1.0	-49.88	387.94	7.79	-42.09
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008116416	0	37	-1.0	-51.29	305.14	4.94	-46.35
CC1=CSC(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116417	0	35	-1.0	-47.52	292.78	5.57	-41.95
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008116418	0	39	-1.0	-53.92	323.69	4.73	-49.19
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300008116419	0	39	-1.0	-49.19	318.09	4.44	-44.75
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008116420	0	42	-1.0	-49.82	337.45	5.57	-44.25
CC1(C)COC2=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=NN2C1	REAL300008116421	0	43	-1.0	-54.51	346.94	3.10	-51.41
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008116422	0	38	-1.0	-51.68	340.76	5.69	-45.99
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300008116423	0	39	-1.0	-54.79	315.82	4.85	-49.94
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(C)C	REAL300008116424	0	57	-1.0	-49.93	448.29	9.66	-40.27
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300008116425	0	48	-1.0	-52.10	369.12	6.35	-45.75
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116426	0	42	-1.0	-54.07	345.87	6.50	-47.57
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(C)C	REAL300008116427	0	55	-1.0	-54.51	439.26	7.52	-46.99
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=C2O1	REAL300008116428	0	40	-1.0	-58.56	329.31	5.65	-52.91
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300008116429	0	40	-1.0	-50.53	342.68	4.44	-46.09
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008116430	0	38	-1.0	-53.61	324.64	5.52	-48.09
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116431	0	37	-1.0	-62.74	313.64	4.52	-58.22
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008116432	0	41	-1.0	-51.09	319.50	4.97	-46.12
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300008116433	0	36	-1.0	-56.56	324.95	5.48	-51.08
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008116434	0	33	-1.0	-50.03	288.72	3.83	-46.20
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008116435	0	35	-1.0	-50.31	312.30	6.23	-44.08
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116436	0	39	-1.0	-50.23	323.71	4.65	-45.58
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1F	REAL300008116437	0	41	-1.0	-47.86	322.76	7.16	-40.70
COC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1OC	REAL300008116438	0	40	-1.0	-52.02	327.39	4.87	-47.15
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300008116439	0	35	-1.0	-50.66	304.81	5.06	-45.60
CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C2CCCC2)=N1	REAL300008116440	0	45	-1.0	-54.64	356.32	5.69	-48.95
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116441	0	44	-1.0	-50.62	351.72	5.57	-45.05
CCCCN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=N1	REAL300008116442	0	44	-1.0	-53.16	357.97	5.67	-47.49
CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C2CC2)=N1	REAL300008116443	0	39	-1.0	-50.75	327.96	4.57	-46.18
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008116444	0	36	-1.0	-54.51	313.46	4.60	-49.91
CN1N=NC2=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=CC=C21	REAL300008116445	0	37	-1.0	-69.65	316.89	3.47	-66.18
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Br	REAL300008116446	0	38	-1.0	-51.98	323.12	6.34	-45.64
CC1(C)CCCN(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C1	REAL300008116447	0	43	-1.0	-54.73	316.82	5.72	-49.01
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008116448	0	38	-1.0	-48.94	341.97	6.14	-42.80
CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C2CCC2)=N1	REAL300008116449	0	42	-1.0	-54.31	340.20	5.21	-49.10
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116450	0	50	-1.0	-52.04	379.59	8.21	-43.83
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008116451	0	38	-1.0	-48.66	345.42	6.89	-41.77
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008116452	0	42	-1.0	-55.36	348.27	5.44	-49.92
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008116453	0	36	-1.0	-53.77	308.70	6.14	-47.63
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008116454	0	43	-1.0	-55.20	366.68	7.77	-47.43
COC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300008116455	0	41	-1.0	-67.15	339.22	6.24	-60.91
CCCC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116456	0	41	-1.0	-51.89	338.61	7.22	-44.67
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116457	0	39	-1.0	-50.99	317.63	4.51	-46.48
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116458	0	41	-1.0	-50.69	324.01	4.72	-45.97
CC(C)(C)N1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300008116459	0	41	-1.0	-50.76	338.72	4.72	-46.04
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300008116460	0	39	-1.0	-53.15	317.11	3.90	-49.25
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CN=C1C(F)(F)F	REAL300008116461	0	37	-1.0	-45.53	323.94	4.59	-40.94
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008116462	0	35	-1.0	-48.21	319.30	6.14	-42.07
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116463	0	43	-1.0	-65.12	357.19	6.80	-58.32
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008116464	0	43	-1.0	-53.65	342.44	8.09	-45.56
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008116465	0	38	-1.0	-50.24	336.25	6.08	-44.16
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008116466	0	38	-1.0	-51.09	316.61	5.48	-45.61
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300008116467	0	39	-1.0	-53.48	326.62	3.40	-50.08
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116468	0	42	-1.0	-50.44	370.42	5.78	-44.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008116469	0	32	-1.0	-56.01	289.86	5.14	-50.87
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008116470	0	39	-1.0	-52.63	321.81	6.86	-45.77
COC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=CS1	REAL300008116471	0	33	-1.0	-53.42	294.53	3.52	-49.90
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008116472	0	42	-1.0	-49.64	338.35	5.55	-44.09
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116473	0	41	-1.0	-48.88	334.26	4.87	-44.01
CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116474	0	46	-1.0	-50.37	344.86	5.99	-44.38
CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C2CCOCC2)=N1	REAL300008116475	0	46	-1.0	-54.74	367.02	3.97	-50.77
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116476	0	38	-1.0	-51.28	327.43	6.54	-44.74
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008116477	0	36	-1.0	-50.76	311.87	4.33	-46.43
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008116478	0	47	-1.0	-51.33	369.79	7.64	-43.69
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300008116479	0	33	-1.0	-49.20	297.43	3.24	-45.96
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=NC=CC=C12	REAL300008116480	0	43	-1.0	-63.11	340.07	7.17	-55.94
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008116481	0	40	-1.0	-51.31	329.81	5.09	-46.22
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300008116482	0	35	-1.0	-47.89	306.78	3.50	-44.39
CCOCC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116483	0	42	-1.0	-53.01	351.14	5.70	-47.31
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116484	0	42	-1.0	-49.70	353.30	6.25	-43.45
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008116485	0	45	-1.0	-52.90	359.40	5.69	-47.21
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008116486	0	43	-1.0	-51.50	362.30	7.63	-43.87
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300008116487	0	35	-1.0	-51.51	289.68	5.33	-46.18
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC(C)=C1Br	REAL300008116488	0	38	-1.0	-48.74	330.40	6.50	-42.24
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300008116489	0	41	-1.0	-53.37	327.28	7.29	-46.08
CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008116490	0	42	-1.0	-60.62	353.91	6.32	-54.30
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008116491	0	36	-1.0	-48.61	314.79	6.13	-42.48
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008116492	0	36	-1.0	-53.05	327.03	6.84	-46.21
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008116493	0	36	-1.0	-48.33	329.67	6.69	-41.64
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300008116494	0	37	-1.0	-56.26	318.87	-1.25	-57.51
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008116495	0	35	-1.0	-56.95	299.32	5.45	-51.50
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300008116496	0	38	-1.0	-51.25	308.51	5.54	-45.71
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008116497	0	34	-1.0	-51.10	304.78	4.44	-46.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCOC1CCOC1	REAL300008116498	0	40	-1.0	-50.80	329.83	2.04	-48.76
CC1=NC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008116499	0	41	-1.0	-58.24	343.41	4.11	-54.13
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008116500	0	49	-1.0	-52.23	350.56	7.93	-44.30
CC1(C)COC(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C1	REAL300008116501	0	42	-1.0	-54.97	334.30	4.31	-50.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300008116502	0	35	-1.0	-60.57	304.89	0.73	-59.84
CC(C)(CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])C(C)(F)F	REAL300008116503	0	40	-1.0	-51.62	312.87	5.50	-46.12
CS(=O)(=O)CCCCS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116504	0	40	-1.0	-61.22	345.51	1.68	-59.54
CC1(C)CCC(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])OC1	REAL300008116505	0	45	-1.0	-50.90	349.77	4.99	-45.91
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008116506	0	42	-1.0	-50.30	345.56	7.15	-43.15
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008116507	0	36	-1.0	-60.49	321.54	4.08	-56.41
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008116508	0	42	-1.0	-54.12	355.43	7.90	-46.22
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008116509	0	41	-1.0	-56.29	326.60	2.41	-53.88
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008116510	0	45	-1.0	-51.18	341.18	7.07	-44.11
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008116511	0	36	-1.0	-49.29	317.91	6.14	-43.15
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C21	REAL300008116512	0	54	-1.0	-52.84	403.38	9.21	-43.63
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116513	0	43	-1.0	-50.90	352.71	5.93	-44.97
COC1=CSC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1OC	REAL300008116514	0	37	-1.0	-53.49	327.43	2.90	-50.59
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008116515	0	44	-1.0	-51.28	333.82	5.47	-45.81
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116516	0	43	-1.0	-55.06	349.97	6.75	-48.31
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008116517	0	36	-1.0	-54.69	324.61	5.67	-49.02
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(F)=C1	REAL300008116518	0	36	-1.0	-53.37	311.47	4.56	-48.81
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008116519	0	36	-1.0	-50.04	319.30	4.70	-45.34
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116520	0	38	-1.0	-53.07	314.69	4.92	-48.15
CN1C=CC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C21	REAL300008116521	0	39	-1.0	-55.31	327.92	6.79	-48.52
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008116522	0	41	-1.0	-51.13	352.72	5.55	-45.58
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116523	0	45	-1.0	-51.80	364.89	7.37	-44.43
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008116524	0	43	-1.0	-55.24	362.30	7.63	-47.61
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116525	0	38	-1.0	-61.80	306.15	6.69	-55.11
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008116526	0	33	-1.0	-55.39	312.26	3.96	-51.43
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116527	0	43	-1.0	-51.97	357.55	6.63	-45.34
CCN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C2CC2)=N1	REAL300008116528	0	42	-1.0	-51.20	348.69	5.45	-45.75
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=NSN=C2C=C1	REAL300008116529	0	36	-1.0	-62.17	307.10	4.19	-57.98
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008116530	0	38	-1.0	-50.89	335.14	7.52	-43.37
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008116531	0	42	-1.0	-51.20	364.76	8.99	-42.21
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008116532	0	31	-1.0	-46.69	301.17	3.02	-43.67
CCC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1Br	REAL300008116533	0	38	-1.0	-49.12	332.86	6.92	-42.20
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116534	0	45	-1.0	-49.91	360.40	6.09	-43.82
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300008116535	0	29	-1.0	-48.84	282.89	4.31	-44.53
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116536	0	46	-1.0	-55.31	375.72	5.35	-49.96
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008116537	0	38	-1.0	-50.12	327.17	7.30	-42.82
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116538	0	40	-1.0	-51.47	323.54	2.71	-48.76
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008116539	0	39	-1.0	-51.83	308.29	6.43	-45.40
CC1(C)CCN(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	REAL300008116540	0	43	-1.0	-50.39	326.70	5.07	-45.32
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008116541	0	47	-1.0	-52.73	376.12	5.41	-47.32
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116542	0	35	-1.0	-50.73	313.69	2.74	-47.99
COC1=NC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300008116543	0	38	-1.0	-51.03	320.61	2.16	-48.87
CC(C)CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300008116544	0	41	-1.0	-48.25	341.51	4.90	-43.35
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116545	0	41	-1.0	-52.62	334.00	4.62	-48.00
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008116546	0	42	-1.0	-50.76	337.76	2.89	-47.87
COCC1=CC(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=NO1	REAL300008116547	0	38	-1.0	-60.64	328.23	2.92	-57.72
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008116548	0	37	-1.0	-53.92	322.42	6.92	-47.00
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])N=C1	REAL300008116549	0	43	-1.0	-51.00	349.67	5.23	-45.77
CC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116550	0	38	-1.0	-49.59	315.20	4.21	-45.38
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300008116551	0	39	-1.0	-49.73	325.99	5.07	-44.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008116552	0	39	-1.0	-55.27	330.57	6.06	-49.21
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008116553	0	34	-1.0	-51.85	305.45	3.77	-48.08
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300008116554	0	37	-1.0	-53.96	308.93	5.41	-48.55
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=NN1C(C)C	REAL300008116555	0	41	-1.0	-49.87	333.01	4.68	-45.19
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300008116556	0	46	-1.0	-51.31	382.86	8.36	-42.95
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008116557	0	37	-1.0	-58.52	311.20	5.40	-53.12
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300008116558	0	35	-1.0	-48.74	305.44	4.70	-44.04
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116559	0	40	-1.0	-59.32	332.39	0.83	-58.49
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300008116560	0	39	-1.0	-50.38	296.44	2.70	-47.68
N#CC1CCN(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	REAL300008116561	0	38	-1.0	-51.74	310.79	4.22	-47.52
COC1=CC=NC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116562	0	35	-1.0	-54.47	299.43	2.46	-52.01
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C(F)F)=C1	REAL300008116563	0	39	-1.0	-58.32	319.05	5.48	-52.84
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])N=C1	REAL300008116564	0	35	-1.0	-51.16	302.69	2.22	-48.94
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116565	0	38	-1.0	-50.01	335.75	3.19	-46.82
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008116566	0	37	-1.0	-51.45	305.32	4.85	-46.60
CCOC1=CC=CN=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300008116567	0	38	-1.0	-60.99	319.02	4.32	-56.67
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=NC=CC=C12	REAL300008116568	0	40	-1.0	-61.60	328.52	6.45	-55.15
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300008116569	0	36	-1.0	-58.83	303.67	4.87	-53.96
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008116570	0	34	-1.0	-54.00	302.97	3.96	-50.04
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008116571	0	39	-1.0	-56.81	342.66	5.87	-50.94
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300008116572	0	45	-1.0	-56.17	357.58	6.96	-49.21
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C2C	REAL300008116573	0	43	-1.0	-49.99	360.70	7.10	-42.89
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C2C	REAL300008116574	0	43	-1.0	-55.84	361.09	7.07	-48.77
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C2C	REAL300008116575	0	46	-1.0	-53.56	374.40	7.74	-45.82
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C2C	REAL300008116576	0	47	-1.0	-57.73	380.39	6.94	-50.79
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C2C	REAL300008116577	0	46	-1.0	-55.37	377.13	7.60	-47.77
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=C(C(=O)[O-])SC=C1)C2C	REAL300008116578	0	40	-1.0	-59.46	344.73	6.65	-52.81
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C2C	REAL300008116579	0	43	-1.0	-55.84	361.09	7.07	-48.77
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C2C	REAL300008116580	0	43	-1.0	-49.99	360.70	7.10	-42.89
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=CC=C1C(=O)[O-])C2C	REAL300008116581	0	43	-1.0	-64.11	348.37	7.96	-56.15
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CNC(C(=O)[O-])=C1)C2C	REAL300008116582	0	41	-1.0	-53.83	349.62	4.79	-49.04
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C2C	REAL300008116583	0	43	-1.0	-53.24	365.64	5.18	-48.06
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C2C	REAL300008116584	0	40	-1.0	-50.12	353.35	6.20	-43.92
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=NNC=C1C(=O)[O-])C2C	REAL300008116585	0	40	-1.0	-53.12	334.55	3.98	-49.14
COC1=CC=C2C(=C1)CCN(S(=O)(=O)N1CCCC(C(=O)[O-])C1)C2C	REAL300008116586	0	48	-1.0	-50.94	375.33	6.08	-44.86
COC1=CC=C2C(=C1)CCN(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2C	REAL300008116587	0	48	-1.0	-51.06	377.56	6.14	-44.92
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=CC=C1C(=O)[O-])C2C	REAL300008116588	0	43	-1.0	-64.11	348.37	7.96	-56.15
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C2C	REAL300008116589	0	43	-1.0	-57.16	365.33	8.48	-48.68
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C2C	REAL300008116590	0	40	-1.0	-52.47	345.84	5.43	-47.04
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1)C2C	REAL300008116591	0	43	-1.0	-52.27	365.68	5.96	-46.31
COC1=CC=C2C(=C1)CCN(S(=O)(=O)CCCC(=O)[O-])C2C	REAL300008116592	0	42	-1.0	-51.96	347.15	5.70	-46.26
COC1=CC=C2C(=C1)CCN(S(=O)(=O)N1CCCC1C(=O)[O-])C2C	REAL300008116593	0	45	-1.0	-60.74	362.85	5.90	-54.84
COC1=CC=C2C(=C1)CCN(S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C2C	REAL300008116594	0	46	-1.0	-57.20	384.88	7.80	-49.40
COC1=CC=C2C(=C1)CCN(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2C	REAL300008116595	0	48	-1.0	-51.06	377.56	6.14	-44.92
COC1=CC=C2C(=C1)CCN(S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C2C	REAL300008116596	0	46	-1.0	-59.94	384.92	7.79	-52.15
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C2C	REAL300008116597	0	40	-1.0	-52.47	345.84	5.43	-47.04
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C2C	REAL300008116598	0	47	-1.0	-49.75	391.80	7.37	-42.38
COC1=CC=C2C(=C1)CCN(S(=O)(=O)CCCC(=O)[O-])C2C	REAL300008116599	0	42	-1.0	-51.96	347.15	5.70	-46.26
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C2C	REAL300008116600	0	40	-1.0	-52.28	354.28	6.09	-46.19
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)C2C	REAL300008116601	0	49	-1.0	-57.75	383.52	7.91	-49.84
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-])C2C	REAL300008116602	0	46	-1.0	-68.44	374.15	7.95	-60.49
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C2C	REAL300008116603	0	40	-1.0	-54.01	352.72	6.09	-47.92
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)C2C	REAL300008116604	0	46	-1.0	-52.62	362.53	7.28	-45.34
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C2C	REAL300008116605	0	46	-1.0	-47.85	382.89	7.87	-39.98
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C2C	REAL300008116606	0	40	-1.0	-51.62	346.09	5.17	-46.45
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C2C	REAL300008116607	0	46	-1.0	-53.67	383.26	7.84	-45.83
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C2C	REAL300008116608	0	43	-1.0	-55.63	355.25	5.97	-49.66
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C2C	REAL300008116609	0	42	-1.0	-47.78	355.89	5.28	-42.50
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CSN=C1C(=O)[O-])C2C	REAL300008116610	0	39	-1.0	-62.37	340.83	5.18	-57.19
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C2C	REAL300008116611	0	39	-1.0	-64.44	340.69	4.75	-59.69
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=CN=C1C(=O)[O-])C2C	REAL300008116612	0	42	-1.0	-66.76	343.78	6.16	-60.60
COC1=CC=C2C(=C1)CCN(S(=O)(=O)CCCCCC(=O)[O-])C2C	REAL300008116613	0	48	-1.0	-54.83	389.14	7.26	-47.57
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C2C	REAL300008116614	0	42	-1.0	-51.91	356.58	5.29	-46.62
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C2C	REAL300008116615	0	43	-1.0	-48.74	377.45	7.59	-41.15
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)C2C	REAL300008116616	0	47	-1.0	-60.77	388.37	7.14	-53.63
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)C2C	REAL300008116617	0	46	-1.0	-50.90	377.13	7.61	-43.29
COC1=CC=C2C(=C1)CCN(S(=O)(=O)N(C)CCC(=O)[O-])C2C	REAL300008116618	0	44	-1.0	-49.45	355.85	5.05	-44.40
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C2C	REAL300008116619	0	43	-1.0	-48.74	377.45	7.59	-41.15
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=C(C(=O)[O-])SC=C1C)C2C	REAL300008116620	0	43	-1.0	-54.93	353.68	7.21	-47.72
COC1=CC=C2C(=C1)CCN(S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C2C	REAL300008116621	0	46	-1.0	-57.20	384.88	7.80	-49.40
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C2C	REAL300008116622	0	47	-1.0	-57.73	380.39	6.94	-50.79
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C2C	REAL300008116623	0	46	-1.0	-55.37	377.13	7.60	-47.77
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C2C	REAL300008116624	0	46	-1.0	-53.56	374.40	7.74	-45.82
COC1=CC=C2C(=C1)CCN(S(=O)(=O)CC1(CC(=O)[O-])CC1)C2C	REAL300008116625	0	46	-1.0	-50.39	371.43	6.97	-43.42
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C2C	REAL300008116626	0	46	-1.0	-53.67	383.26	7.84	-45.83
COC1=C(S(=O)(=O)N2CCC3=CC(OC)=CC=C3C2C)SC(C(=O)[O-])=C1	REAL300008116627	0	44	-1.0	-50.39	377.85	5.82	-44.57
CCC1=C(S(=O)(=O)N2CCC3=CC(OC)=CC=C3C2C)C=C(C(=O)[O-])O1	REAL300008116628	0	46	-1.0	-54.42	378.67	6.65	-47.77
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1)C2C	REAL300008116629	0	45	-1.0	-49.17	372.56	5.78	-43.39
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)C2C	REAL300008116630	0	47	-1.0	-51.32	380.55	6.96	-44.36
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1)C2C	REAL300008116631	0	47	-1.0	-56.90	388.34	7.15	-49.75
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C2C	REAL300008116632	0	46	-1.0	-52.13	388.69	7.90	-44.23
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C2C	REAL300008116633	0	43	-1.0	-53.83	349.36	5.29	-48.54
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1)C2C	REAL300008116634	0	43	-1.0	-53.53	363.81	6.02	-47.51
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C2C	REAL300008116635	0	43	-1.0	-53.82	373.61	7.46	-46.36
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C2C	REAL300008116636	0	40	-1.0	-55.34	334.79	5.75	-49.59
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1(C(=O)[O-])CCC1)C2C	REAL300008116637	0	43	-1.0	-47.77	337.34	6.16	-41.61
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-])C2C	REAL300008116638	0	47	-1.0	-62.28	377.98	7.28	-55.00
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=NNC=C1C(=O)[O-])C2C	REAL300008116639	0	40	-1.0	-53.12	334.55	3.98	-49.14
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C2C	REAL300008116640	0	43	-1.0	-53.83	349.36	5.29	-48.54
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C2C	REAL300008116641	0	42	-1.0	-50.28	357.31	5.18	-45.10
COC1=CC=C2C(=C1)CCN(S(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C2C	REAL300008116642	0	46	-1.0	-58.23	373.88	8.20	-50.03
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C2C	REAL300008116643	0	40	-1.0	-48.65	360.74	5.72	-42.93
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-])C2C	REAL300008116644	0	47	-1.0	-69.01	380.07	7.34	-61.67
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C2C	REAL300008116645	0	42	-1.0	-57.42	357.15	5.30	-52.12
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C2C	REAL300008116646	0	40	-1.0	-46.37	344.57	3.31	-43.06
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C2C	REAL300008116647	0	43	-1.0	-57.02	361.10	4.58	-52.44
COC1=CC=C2C(=C1)CCN(S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C2C	REAL300008116648	0	43	-1.0	-53.52	351.11	6.22	-47.30
COC1=CC=C2C(=C1)CCN(S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C2C	REAL300008116649	0	46	-1.0	-53.98	363.12	6.62	-47.36
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1)C2C	REAL300008116650	0	43	-1.0	-52.26	371.16	6.74	-45.52
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C2C	REAL300008116651	0	46	-1.0	-60.39	369.37	8.33	-52.06
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C2C	REAL300008116652	0	43	-1.0	-54.62	357.76	6.41	-48.21
COC1=CC=C2C(=C1)CCN(S(=O)(=O)N1CCCCC1C(=O)[O-])C2C	REAL300008116653	0	48	-1.0	-52.02	361.05	6.69	-45.33
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C2C	REAL300008116654	0	40	-1.0	-46.37	344.57	3.31	-43.06
COC1=CC=C2C(=C1)CCN(S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C2C	REAL300008116655	0	45	-1.0	-47.42	350.53	5.38	-42.04
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=NNC=C1C(=O)[O-])C2C	REAL300008116656	0	40	-1.0	-53.12	334.55	3.98	-49.14
COC1=CC=C2C(=C1)CCN(S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C2C	REAL300008116657	0	43	-1.0	-60.43	336.79	6.67	-53.76
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1)C2C	REAL300008116658	0	45	-1.0	-54.12	373.71	5.81	-48.31
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C2C	REAL300008116659	0	46	-1.0	-60.39	369.37	8.33	-52.06
COC1=CC=C2C(=C1)CCN(S(=O)(=O)C1=CN=CC=C1C(=O)[O-])C2C	REAL300008116660	0	42	-1.0	-57.11	345.46	6.12	-50.99
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008116661	0	38	-1.0	-57.96	330.37	4.87	-53.09
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008116662	0	38	-1.0	-56.88	330.41	4.85	-52.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)CC1=NC=CN1C	REAL300008116663	0	41	-1.0	-64.20	331.33	5.54	-58.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)CC1=NC=CN1C	REAL300008116664	0	42	-1.0	-64.84	357.77	4.59	-60.25
CC1=CC=C(S(=O)(=O)NC(C)CC2=NC=CN2C)C=C1C(=O)[O-]	REAL300008116665	0	41	-1.0	-62.77	351.55	5.32	-57.45
CC(CC1=NC=CN1C)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008116666	0	35	-1.0	-56.49	312.45	4.69	-51.80
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008116667	0	38	-1.0	-56.88	330.41	4.85	-52.03
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008116668	0	38	-1.0	-57.96	330.37	4.87	-53.09
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008116669	0	38	-1.0	-59.80	321.86	5.53	-54.27
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008116670	0	36	-1.0	-54.80	321.30	2.42	-52.38
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008116671	0	38	-1.0	-49.71	339.80	2.88	-46.83
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008116672	0	35	-1.0	-49.33	328.24	3.94	-45.39
CC(CC1=NC=CN1C)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008116673	0	35	-1.0	-63.00	312.79	1.86	-61.14
CC(CC1=NC=CN1C)NS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008116674	0	43	-1.0	-52.45	350.24	3.88	-48.57
CC(CC1=NC=CN1C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008116675	0	43	-1.0	-52.64	352.35	3.91	-48.73
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008116676	0	38	-1.0	-59.80	321.86	5.53	-54.27
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008116677	0	38	-1.0	-59.34	321.13	5.53	-53.81
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008116678	0	35	-1.0	-61.39	316.36	3.28	-58.11
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)CC2=NC=CN2C)O1	REAL300008116679	0	38	-1.0	-56.04	336.68	3.58	-52.46
CC(CC1=NC=CN1C)NS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008116680	0	40	-1.0	-57.20	323.21	3.49	-53.71
CC(CC1=NC=CN1C)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008116681	0	41	-1.0	-59.02	353.70	5.60	-53.42
CC(CC1=NC=CN1C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008116682	0	43	-1.0	-52.64	352.35	3.91	-48.73
CC(CC1=NC=CN1C)NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008116683	0	41	-1.0	-59.78	358.84	5.52	-54.26
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008116684	0	35	-1.0	-61.39	316.36	3.28	-58.11
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008116685	0	42	-1.0	-55.59	361.48	5.13	-50.46
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC(C)CC1=NC=CN1C	REAL300008116686	0	42	-1.0	-51.55	372.49	5.68	-45.87
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008116687	0	35	-1.0	-56.81	325.69	3.74	-53.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)CC2=NC=CN2C)=C1C	REAL300008116688	0	44	-1.0	-62.33	366.72	6.04	-56.29
CC1=CC=CC(S(=O)(=O)NC(C)CC2=NC=CN2C)=C1C(=O)[O-]	REAL300008116689	0	41	-1.0	-63.83	342.04	6.04	-57.79
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)CC2=NC=CN2C)=C1	REAL300008116690	0	45	-1.0	-52.78	390.57	4.50	-48.28
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008116691	0	35	-1.0	-61.80	322.35	3.90	-57.90
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300008116692	0	41	-1.0	-40.81	353.02	6.48	-34.33
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(C)CC1=NC=CN1C	REAL300008116693	0	41	-1.0	-55.22	343.71	5.35	-49.87
CC(CC1=NC=CN1C)NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300008116694	0	41	-1.0	-62.68	362.39	7.08	-55.60
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008116695	0	41	-1.0	-55.27	352.58	5.63	-49.64
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)CC2=NC=CN2C)C=C1[N+](=O)[O-]	REAL300008116696	0	43	-1.0	-42.81	373.77	5.83	-36.98
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008116697	0	35	-1.0	-55.69	321.74	2.95	-52.74
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008116698	0	41	-1.0	-55.74	352.58	5.63	-50.11
CC1=C(S(=O)(=O)NC(C)CC2=NC=CN2C)C=C(C(=O)[O-])O1	REAL300008116699	0	38	-1.0	-52.65	333.04	3.81	-48.84
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008116700	0	37	-1.0	-53.79	328.89	2.88	-50.91
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008116701	0	34	-1.0	-60.10	311.20	2.93	-57.17
CC(CC1=NC=CN1C)NS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008116702	0	34	-1.0	-72.15	306.31	2.07	-70.08
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008116703	0	37	-1.0	-63.79	315.11	4.16	-59.63
CC(CC1=NC=CN1C)NS(=O)(=O)CCCCCC(=O)[O-]	REAL300008116704	0	43	-1.0	-56.43	363.99	4.98	-51.45
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008116705	0	37	-1.0	-55.24	328.55	2.86	-52.38
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008116706	0	38	-1.0	-56.46	352.28	5.29	-51.17
COC1=CC=C(S(=O)(=O)NC(C)CC2=NC=CN2C)C=C1C(=O)[O-]	REAL300008116707	0	42	-1.0	-56.43	362.78	4.86	-51.57
CC1=CC(S(=O)(=O)NC(C)CC2=NC=CN2C)=CC=C1C(=O)[O-]	REAL300008116708	0	41	-1.0	-53.01	349.00	5.23	-47.78
CC(CC1=NC=CN1C)NS(=O)(=O)N(C)CCC(=O)[O-]	REAL300008116709	0	39	-1.0	-57.89	332.90	2.95	-54.94
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300008116710	0	43	-1.0	-57.76	367.27	5.14	-52.62
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)CC2=NC=CN2C)=C1	REAL300008116711	0	45	-1.0	-52.78	390.57	4.50	-48.28
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008116712	0	38	-1.0	-56.46	352.28	5.29	-51.17
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC(C)CC1=NC=CN1C	REAL300008116713	0	38	-1.0	-51.06	333.96	5.18	-45.88
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)CC1=NC=CN1C	REAL300008116714	0	41	-1.0	-54.88	363.04	6.07	-48.81
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC(C)CC3=NC=CN3C)C=C12	REAL300008116715	0	44	-1.0	-60.10	377.32	6.19	-53.91
CC(CC1=NC=CN1C)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008116716	0	41	-1.0	-59.02	353.70	5.60	-53.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)CC1=NC=CN1C	REAL300008116717	0	42	-1.0	-64.84	357.77	4.59	-60.25
CC1=CC=C(S(=O)(=O)NC(C)CC2=NC=CN2C)C=C1C(=O)[O-]	REAL300008116718	0	41	-1.0	-62.77	351.55	5.32	-57.45
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)CC1=NC=CN1C	REAL300008116719	0	41	-1.0	-64.20	331.33	5.54	-58.66
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)CC1=NC=CN1C	REAL300008116720	0	42	-1.0	-50.78	368.11	4.81	-45.97
CC(CC1=NC=CN1C)NS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008116721	0	41	-1.0	-58.17	345.64	4.70	-53.47
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008116722	0	41	-1.0	-55.74	352.58	5.63	-50.11
COC1=C(S(=O)(=O)NC(C)CC2=NC=CN2C)SC(C(=O)[O-])=C1	REAL300008116723	0	39	-1.0	-53.58	348.86	2.98	-50.60
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300008116724	0	43	-1.0	-56.15	367.25	5.53	-50.62
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300008116725	0	41	-1.0	-52.73	363.83	5.53	-47.20
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008116726	0	45	-1.0	-59.82	381.67	6.67	-53.15
CCC1=C(S(=O)(=O)NC(C)CC2=NC=CN2C)C=C(C(=O)[O-])O1	REAL300008116727	0	41	-1.0	-52.18	352.13	4.54	-47.64
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300008116728	0	40	-1.0	-56.47	338.48	5.70	-50.77
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300008116729	0	41	-1.0	-50.93	373.36	6.28	-44.65
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300008116730	0	40	-1.0	-38.39	341.88	6.16	-32.23
CC1=NC=C(S(=O)(=O)NC(C)CC2=NC=CN2C)C=C1C(=O)[O-]	REAL300008116731	0	40	-1.0	-57.12	341.87	3.57	-53.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C)CC1=NC=CN1C	REAL300008116732	0	42	-1.0	-57.81	349.59	4.63	-53.18
COC1=CC(S(=O)(=O)NC(C)CC2=NC=CN2C)=CC=C1C(=O)[O-]	REAL300008116733	0	42	-1.0	-56.63	362.76	4.87	-51.76
COC1=CC=C(S(=O)(=O)NC(C)CC2=NC=CN2C)C(CC(=O)[O-])=C1	REAL300008116734	0	45	-1.0	-60.51	369.47	4.88	-55.63
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008116735	0	41	-1.0	-50.89	357.92	5.41	-45.48
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300008116736	0	41	-1.0	-45.82	374.21	5.78	-40.04
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300008116737	0	47	-1.0	-54.71	383.54	6.50	-48.21
CC(CC1=NC=CN1C)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008116738	0	38	-1.0	-52.27	324.06	2.93	-49.34
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300008116739	0	44	-1.0	-53.79	364.69	6.75	-47.04
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC(C)CC2=NC=CN2C)=C1	REAL300008116740	0	38	-1.0	-54.15	336.42	3.72	-50.43
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008116741	0	38	-1.0	-58.56	346.23	5.10	-53.46
CC(CC1=NC=CN1C)NS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008116742	0	35	-1.0	-66.22	314.68	3.14	-63.08
CC(CC1=NC=CN1C)NS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008116743	0	38	-1.0	-51.91	317.09	3.91	-48.00
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC(C)CC2=NC=CN2C)=C1	REAL300008116744	0	42	-1.0	-65.01	336.90	4.50	-60.51
CC(CC1=NC=CN1C)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008116745	0	35	-1.0	-63.00	312.79	1.86	-61.14
CC(CC1=NC=CN1C)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008116746	0	38	-1.0	-52.27	324.06	2.93	-49.34
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)CC1=NC=CN1C	REAL300008116748	0	45	-1.0	-62.87	372.17	4.78	-58.09
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008116749	0	37	-1.0	-56.53	332.88	2.97	-53.56
CC(CC1=NC=CN1C)NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008116750	0	41	-1.0	-57.14	343.65	6.03	-51.11
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008116751	0	35	-1.0	-54.37	331.26	3.56	-50.81
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300008116752	0	44	-1.0	-55.24	369.60	6.94	-48.30
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)CC1=NC=CN1C	REAL300008116753	0	45	-1.0	-64.37	379.63	5.51	-58.86
COC1=CC=C(S(=O)(=O)NC(C)CC2=NC=CN2C)C(C(=O)[O-])=C1	REAL300008116754	0	42	-1.0	-65.60	339.77	4.34	-61.26
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008116755	0	37	-1.0	-64.35	331.68	3.02	-61.33
CC(CC1=NC=CN1C)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008116756	0	35	-1.0	-51.49	315.08	1.15	-50.34
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008116757	0	38	-1.0	-55.31	324.51	1.77	-53.54
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008116758	0	44	-1.0	-59.16	376.26	7.11	-52.05
CC(CC1=NC=CN1C)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008116759	0	38	-1.0	-59.40	320.21	3.67	-55.73
CC(CC1=NC=CN1C)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008116760	0	41	-1.0	-64.04	336.93	4.27	-59.77
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)CC2=NC=CN2C)S1	REAL300008116761	0	38	-1.0	-58.09	347.43	4.55	-53.54
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008116762	0	44	-1.0	-62.51	368.41	7.84	-54.67
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008116763	0	41	-1.0	-54.64	354.38	6.05	-48.59
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008116764	0	41	-1.0	-67.41	346.06	6.16	-61.25
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008116765	0	38	-1.0	-54.25	363.31	5.31	-48.94
CC(CC1=NC=CN1C)NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008116766	0	41	-1.0	-63.95	363.11	3.47	-60.48
CC(CC1=NC=CN1C)NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008116767	0	41	-1.0	-52.51	356.60	6.05	-46.46
CC(CC1=NC=CN1C)NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008116768	0	38	-1.0	-56.07	331.70	4.14	-51.93
CC(CC1=NC=CN1C)NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008116769	0	43	-1.0	-53.69	338.93	4.68	-49.01
CC(CC1=NC=CN1C)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008116770	0	35	-1.0	-51.49	315.08	1.15	-50.34
CC(CC1=NC=CN1C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008116771	0	40	-1.0	-66.68	333.98	3.62	-63.06
CC(CC1=NC=CN1C)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008116772	0	35	-1.0	-63.00	312.79	1.86	-61.14
CC(CC1=NC=CN1C)NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008116773	0	35	-1.0	-51.17	333.85	5.11	-46.06
CC(CC1=NC=CN1C)NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008116774	0	38	-1.0	-69.36	311.69	4.37	-64.99
CC1=CC(S(=O)(=O)NC(C)CC2=NC=CN2C)=CN=C1C(=O)[O-]	REAL300008116775	0	40	-1.0	-59.15	342.84	3.62	-55.53
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CC(CC1=NC=CN1C)NS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008116779	0	37	-1.0	-47.58	318.75	3.89	-43.69
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CCC1=CC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CCC2=C1	REAL300008116783	0	42	-1.0	-49.82	355.58	8.59	-41.23
CCC1=CC=C2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CCC2=C1	REAL300008116784	0	42	-1.0	-54.81	355.64	8.61	-46.20
CCC1=CC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)CCC2=C1	REAL300008116785	0	45	-1.0	-51.33	369.00	9.32	-42.01
CCC1=CC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3OC)CCC2=C1	REAL300008116786	0	46	-1.0	-54.80	378.73	8.48	-46.32
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CCC1=CC=C2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)CCC2=C1	REAL300008116815	0	45	-1.0	-51.77	363.23	9.16	-42.61
CCC1=CC=C2CN(S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)CCC2=C1	REAL300008116816	0	45	-1.0	-49.24	377.77	9.37	-39.87
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CCC1=CC=C2CN(S(=O)(=O)C3=CC4=CC=C(C(=O)[O-])C=C4C=C3)CCC2=C1	REAL300008116875	0	48	-1.0	-52.29	401.53	10.87	-41.42
CCC1=CC=C2CN(S(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CCC2=C1	REAL300008116876	0	42	-1.0	-52.83	345.79	7.77	-45.06
CCC1=CC=C2CN(S(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CCC2=C1	REAL300008116877	0	45	-1.0	-55.48	359.21	8.16	-47.32
CCC1=CC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=C(C)S3)CCC2=C1	REAL300008116878	0	42	-1.0	-50.08	365.31	8.29	-41.79
CCC1=CC=C2CN(S(=O)(=O)C3=CC4=CC=CC=C4C=C3C(=O)[O-])CCC2=C1	REAL300008116879	0	48	-1.0	-66.29	390.09	11.76	-54.53
CCC1=CC=C2CN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])CCC2=C1	REAL300008116880	0	45	-1.0	-62.02	368.72	10.09	-51.93
CCC1=CC=C2CN(S(=O)(=O)C3=C4C=CC=CN4C(C(=O)[O-])=N3)CCC2=C1	REAL300008116881	0	45	-1.0	-66.39	381.56	7.24	-59.15
CCC1=CC=C2CN(S(=O)(=O)C3=C4C=CC(C(=O)[O-])=CN4C=N3)CCC2=C1	REAL300008116882	0	45	-1.0	-45.45	382.21	9.85	-35.60
CCC1=CC=C2CN(S(=O)(=O)C[C@@H]3C[C@H]3C(=O)[O-])CCC2=C1	REAL300008116883	0	42	-1.0	-53.49	352.27	7.94	-45.55
CCC1=CC=C2CN(S(=O)(=O)N3CCCCC3C(=O)[O-])CCC2=C1	REAL300008116884	0	47	-1.0	-50.73	355.95	8.29	-42.44
CCC1=CC=C2CN(S(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCC2=C1	REAL300008116885	0	39	-1.0	-43.78	338.71	4.87	-38.91
CCC1=CC=C2CN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])CCC2=C1	REAL300008116886	0	44	-1.0	-59.61	357.47	7.43	-52.18
CCC1=CC=C2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CCC2=C1	REAL300008116887	0	39	-1.0	-52.97	328.31	5.51	-47.46
CCC1=CC=C2CN(S(=O)(=O)C3=C(C(=O)[O-])SC(Cl)=C3)CCC2=C1	REAL300008116888	0	39	-1.0	-52.18	355.47	8.80	-43.38
CCC1=CC=C2CN(S(=O)(=O)[C@H]3CC[C@H]3C(=O)[O-])CCC2=C1	REAL300008116889	0	42	-1.0	-55.94	334.90	8.29	-47.65
CCC1=CC=C2CN(S(=O)(=O)C3=CN=C(C(=O)[O-])C(C)=C3)CCC2=C1	REAL300008116890	0	44	-1.0	-52.54	368.26	7.35	-45.19
CCC1=CC=C2CN(S(=O)(=O)C3=CC=CC=C3CC(=O)[O-])CCC2=C1	REAL300008116891	0	45	-1.0	-62.02	368.72	10.09	-51.93
CCOC1=CC=C(S(=O)(=O)N2CCC3=CC(CC)=CC=C3C2)C=C1C(=O)[O-]	REAL300008116892	0	49	-1.0	-59.98	404.37	9.57	-50.41
CCC1=CC=C2CN(S(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)CCC2=C1	REAL300008116893	0	49	-1.0	-49.19	399.31	10.48	-38.71
CCC1=CC=C2CN(S(=O)(=O)C3=CN=CC=C3C(=O)[O-])CCC2=C1	REAL300008116894	0	41	-1.0	-58.51	343.04	7.94	-50.57
CCC1=CC=C2CN(S(=O)(=O)C3=CC4=CC=C(C(=O)[O-])N=C4C=C3)CCC2=C1	REAL300008116895	0	47	-1.0	-55.48	397.38	9.00	-46.48
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008116896	0	46	-1.0	-49.18	386.99	8.31	-40.87
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008116897	0	46	-1.0	-52.78	387.03	8.28	-44.50
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008116898	0	43	-1.0	-51.85	371.34	7.27	-44.58
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008116899	0	46	-1.0	-52.78	387.03	8.28	-44.50
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008116900	0	46	-1.0	-49.18	386.99	8.31	-40.87
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008116901	0	46	-1.0	-54.49	364.33	8.75	-45.74
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008116902	0	44	-1.0	-51.20	375.53	6.02	-45.18
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008116903	0	46	-1.0	-50.06	391.72	6.21	-43.85
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008116904	0	43	-1.0	-48.37	379.18	7.22	-41.15
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008116905	0	43	-1.0	-57.42	364.40	5.22	-52.20
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008116906	0	46	-1.0	-54.49	364.33	8.75	-45.74
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008116907	0	43	-1.0	-50.60	373.52	6.56	-44.04
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008116908	0	46	-1.0	-50.02	393.65	7.07	-42.95
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)CCCC(=O)[O-]	REAL300008116909	0	45	-1.0	-54.98	376.62	6.74	-48.24
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008116910	0	48	-1.0	-69.39	391.31	6.90	-62.49
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008116911	0	43	-1.0	-50.60	373.52	6.56	-44.04
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)CCCC(=O)[O-]	REAL300008116912	0	45	-1.0	-54.98	376.62	6.74	-48.24
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008116913	0	43	-1.0	-49.86	380.10	7.10	-42.76
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008116914	0	43	-1.0	-51.25	378.68	7.34	-43.91
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008116915	0	43	-1.0	-54.81	376.32	6.21	-48.60
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008116916	0	46	-1.0	-55.82	389.20	7.07	-48.75
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008116917	0	45	-1.0	-47.62	382.19	6.48	-41.14
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008116918	0	45	-1.0	-81.39	379.98	7.16	-74.23
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)CCCCCC(=O)[O-]	REAL300008116919	0	51	-1.0	-52.78	415.81	8.50	-44.28
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008116920	0	45	-1.0	-55.33	386.80	6.30	-49.03
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300008116921	0	47	-1.0	-47.30	382.76	6.38	-40.92
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008116922	0	49	-1.0	-56.63	403.66	7.91	-48.72
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008116923	0	46	-1.0	-58.81	376.39	6.65	-52.16
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300008116924	0	46	-1.0	-51.72	391.77	7.14	-44.58
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008116925	0	43	-1.0	-59.12	365.48	7.02	-52.10
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008116926	0	46	-1.0	-49.83	370.56	7.26	-42.57
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008116927	0	43	-1.0	-57.42	364.40	5.22	-52.20
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008116928	0	46	-1.0	-58.81	376.39	6.65	-52.16
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008116929	0	45	-1.0	-55.53	388.36	6.18	-49.35
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008116930	0	45	-1.0	-60.24	387.43	6.13	-54.11
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008116931	0	43	-1.0	-51.72	374.42	4.36	-47.36
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008116932	0	46	-1.0	-61.28	377.97	5.92	-55.36
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008116933	0	46	-1.0	-58.81	384.43	7.13	-51.68
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008116934	0	49	-1.0	-54.90	394.61	7.84	-47.06
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008116935	0	46	-1.0	-58.84	387.38	7.45	-51.39
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008116936	0	43	-1.0	-51.72	374.42	4.36	-47.36
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008116937	0	48	-1.0	-66.04	389.95	7.08	-58.96
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008116938	0	43	-1.0	-57.42	364.40	5.22	-52.20
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008116939	0	46	-1.0	-59.28	366.50	7.71	-51.57
COC1=C(F)C=CC=C1CC1CCCN1S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008116940	0	45	-1.0	-48.70	370.46	6.31	-42.39
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C)C1C	REAL300008116941	0	41	-1.0	-49.47	327.73	6.57	-42.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C)C1C	REAL300008116942	0	42	-1.0	-55.94	334.72	5.76	-50.18
CC1=CC=C(S(=O)(=O)N2CCC(C)(C)C2C)C=C1C(=O)[O-]	REAL300008116943	0	41	-1.0	-52.62	324.09	6.10	-46.52
CC1N(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)CCC1(C)C	REAL300008116944	0	35	-1.0	-49.65	291.35	5.46	-44.19
CC1N(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)CCC1(C)C	REAL300008116945	0	38	-1.0	-51.17	314.59	4.05	-47.12
CC1N(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)CCC1(C)C	REAL300008116946	0	35	-1.0	-47.16	301.65	5.07	-42.09
CC1N(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CCC1(C)C	REAL300008116947	0	43	-1.0	-48.02	319.82	4.49	-43.53
CC1N(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1(C)C	REAL300008116948	0	43	-1.0	-46.47	329.06	5.08	-41.39
CC1N(S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])CCC1(C)C	REAL300008116949	0	38	-1.0	-58.41	316.28	7.43	-50.98
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C)(C)C2C)O1	REAL300008116950	0	38	-1.0	-49.80	313.95	4.84	-44.96
CC1N(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCC1(C)C	REAL300008116951	0	41	-1.0	-56.16	332.82	6.70	-49.46
CC1N(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1(C)C	REAL300008116952	0	43	-1.0	-46.47	329.06	5.08	-41.39
CC1N(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)CCC1(C)C	REAL300008116953	0	41	-1.0	-58.77	334.88	6.40	-52.37
CC1N(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCC1(C)C	REAL300008116954	0	42	-1.0	-47.39	341.09	6.19	-41.20
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C)C1C	REAL300008116955	0	42	-1.0	-44.91	346.19	6.60	-38.31
CC1N(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CCC1(C)C	REAL300008116956	0	35	-1.0	-49.39	302.86	4.67	-44.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C)(C)C2C)=C1C	REAL300008116957	0	44	-1.0	-50.59	344.60	7.09	-43.50
CC1=CC=CC(S(=O)(=O)N2CCC(C)(C)C2C)=C1C(=O)[O-]	REAL300008116958	0	41	-1.0	-72.92	329.19	6.73	-66.19
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C)(C)C2C)=C1	REAL300008116959	0	45	-1.0	-53.58	365.08	5.62	-47.96
CC1N(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)CCC1(C)C	REAL300008116960	0	35	-1.0	-51.17	300.41	4.64	-46.53
CC1N(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])CCC1(C)C	REAL300008116961	0	41	-1.0	-56.17	338.24	7.91	-48.26
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C)(C)C1C	REAL300008116962	0	41	-1.0	-48.78	311.59	6.27	-42.51
CC1N(S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)CCC1(C)C	REAL300008116963	0	41	-1.0	-55.02	331.40	7.85	-47.17
CC1N(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CCC1(C)C	REAL300008116964	0	41	-1.0	-48.52	330.18	6.36	-42.16
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(C)(C)C2C)C=C1[N+](=O)[O-]	REAL300008116965	0	43	-1.0	-41.89	347.60	6.97	-34.92
CC1N(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCC1(C)C	REAL300008116966	0	41	-1.0	-51.85	332.17	6.68	-45.17
CC1=C(S(=O)(=O)N2CCC(C)(C)C2C)C=C(C(=O)[O-])O1	REAL300008116967	0	38	-1.0	-53.59	310.48	4.72	-48.87
CC1N(S(=O)(=O)C2=CSN=C2C(=O)[O-])CCC1(C)C	REAL300008116968	0	34	-1.0	-66.69	293.03	3.97	-62.72
CC1N(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)CCC1(C)C	REAL300008116969	0	34	-1.0	-67.03	290.95	3.43	-63.60
CC1N(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CCC1(C)C	REAL300008116970	0	38	-1.0	-47.35	326.08	6.45	-40.90
CC1N(S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CCC1(C)C	REAL300008116971	0	38	-1.0	-47.33	330.64	6.56	-40.77
COC1=CC=C(S(=O)(=O)N2CCC(C)(C)C2C)C=C1C(=O)[O-]	REAL300008116972	0	42	-1.0	-57.91	335.32	5.64	-52.27
CC1=CC(S(=O)(=O)N2CCC(C)(C)C2C)=CC=C1C(=O)[O-]	REAL300008116973	0	41	-1.0	-47.18	324.07	6.12	-41.06
CC1N(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)CCC1(C)C	REAL300008116974	0	43	-1.0	-55.67	344.48	6.25	-49.42
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C)(C)C2C)=C1	REAL300008116975	0	45	-1.0	-53.58	365.08	5.62	-47.96
CC1N(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CCC1(C)C	REAL300008116976	0	38	-1.0	-47.35	326.08	6.45	-40.90
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC(C)(C)C1C	REAL300008116977	0	38	-1.0	-56.17	302.95	5.86	-50.31
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C)C1C	REAL300008116978	0	41	-1.0	-44.60	341.70	6.99	-37.61
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCC(C)(C)C3C)C=C21	REAL300008116979	0	44	-1.0	-49.73	354.97	6.93	-42.80
CC1N(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CCC1(C)C	REAL300008116980	0	41	-1.0	-56.16	332.82	6.70	-49.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C)C1C	REAL300008116981	0	42	-1.0	-55.94	334.72	5.76	-50.18
CC1=CC=C(S(=O)(=O)N2CCC(C)(C)C2C)C=C1C(=O)[O-]	REAL300008116982	0	41	-1.0	-52.62	324.09	6.10	-46.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C)C1C	REAL300008116983	0	41	-1.0	-49.47	327.73	6.57	-42.90
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C)C1C	REAL300008116984	0	42	-1.0	-46.74	341.50	5.72	-41.02
CC1N(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCC1(C)C	REAL300008116985	0	41	-1.0	-51.85	332.17	6.68	-45.17
COC1=C(S(=O)(=O)N2CCC(C)(C)C2C)SC(C(=O)[O-])=C1	REAL300008116986	0	39	-1.0	-46.94	329.96	5.11	-41.83
CC1=C(Br)C=C(S(=O)(=O)N2CCC(C)(C)C2C)C=C1C(=O)[O-]	REAL300008116987	0	41	-1.0	-47.80	347.19	7.11	-40.69
CC1N(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)CCC1(C)C	REAL300008116988	0	43	-1.0	-49.18	346.17	6.60	-42.58
CC1N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)CCC1(C)C	REAL300008116989	0	41	-1.0	-46.01	338.15	6.39	-39.62
CC1N(S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)CCC1(C)C	REAL300008116990	0	45	-1.0	-52.14	356.14	7.79	-44.35
CCC1=C(S(=O)(=O)N2CCC(C)(C)C2C)C=C(C(=O)[O-])O1	REAL300008116991	0	41	-1.0	-52.16	327.58	5.59	-46.57
CC1N(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CCC1(C)C	REAL300008116992	0	40	-1.0	-61.00	331.59	7.48	-53.52
CC1N(S(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)CCC1(C)C	REAL300008116993	0	41	-1.0	-49.63	345.87	7.06	-42.57
CC1N(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])CCC1(C)C	REAL300008116994	0	40	-1.0	-51.41	330.40	7.75	-43.66
CC1=NC=C(S(=O)(=O)N2CCC(C)(C)C2C)C=C1C(=O)[O-]	REAL300008116995	0	40	-1.0	-46.44	321.46	4.62	-41.82
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(C)(C)C1C	REAL300008116996	0	42	-1.0	-48.59	335.55	5.80	-42.79
COC1=CC(S(=O)(=O)N2CCC(C)(C)C2C)=CC=C1C(=O)[O-]	REAL300008116997	0	42	-1.0	-53.05	335.27	5.65	-47.40
COC1=CC=C(S(=O)(=O)N2CCC(C)(C)C2C)C(CC(=O)[O-])=C1	REAL300008116998	0	45	-1.0	-65.61	354.89	6.16	-59.45
CC1N(S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)CCC1(C)C	REAL300008116999	0	41	-1.0	-48.10	335.65	6.39	-41.71
CC1N(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)CCC1(C)C	REAL300008117000	0	41	-1.0	-45.59	348.06	6.94	-38.65
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120380	0	38	-1.0	-57.23	300.80	4.57	-52.66
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120381	0	45	-1.0	-45.17	365.09	4.73	-40.44
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008120382	0	45	-1.0	-58.17	365.38	1.62	-56.55
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008120383	0	52	-1.0	-53.78	370.97	5.97	-47.81
CC1=NC2=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300008120384	0	42	-1.0	-49.22	336.40	5.47	-43.75
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008120385	0	42	-1.0	-61.90	338.55	6.58	-55.32
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008120386	0	45	-1.0	-55.63	351.60	2.98	-52.65
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120387	0	48	-1.0	-42.62	396.99	5.81	-36.81
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120388	0	48	-1.0	-41.51	391.66	6.02	-35.49
CCCN1C=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120389	0	40	-1.0	-63.08	321.91	5.29	-57.79
CC(COC1CCCC1)CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120390	0	50	-1.0	-57.84	375.44	5.99	-51.85
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120391	0	41	-1.0	-53.29	342.46	4.84	-48.45
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008120392	0	42	-1.0	-53.11	332.55	2.19	-50.92
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120393	0	38	-1.0	-53.20	325.03	4.46	-48.74
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008120394	0	38	-1.0	-52.44	308.99	4.78	-47.66
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300008120395	0	40	-1.0	-50.71	328.14	5.32	-45.39
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120396	0	40	-1.0	-37.71	328.36	5.90	-31.81
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120397	0	40	-1.0	-55.40	338.16	6.00	-49.40
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300008120398	0	40	-1.0	-51.04	328.57	6.02	-45.02
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120399	0	43	-1.0	-38.88	322.46	6.15	-32.73
CCOC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120400	0	41	-1.0	-55.73	325.73	4.81	-50.92
COCCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=N1	REAL300008120401	0	41	-1.0	-55.25	334.24	2.05	-53.20
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008120402	0	41	-1.0	-57.34	337.63	5.19	-52.15
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008120403	0	42	-1.0	-57.77	346.20	6.90	-50.87
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008120404	0	39	-1.0	-55.68	315.87	4.88	-50.80
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008120405	0	37	-1.0	-58.24	318.07	6.07	-52.17
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300008120406	0	37	-1.0	-56.91	314.58	6.00	-50.91
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008120407	0	41	-1.0	-67.19	337.22	2.45	-64.74
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120408	0	37	-1.0	-52.44	316.85	5.79	-46.65
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120409	0	37	-1.0	-39.61	307.22	5.58	-34.03
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120410	0	41	-1.0	-42.06	318.38	4.36	-37.70
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1Br	REAL300008120411	0	38	-1.0	-50.68	334.39	4.13	-46.55
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300008120412	0	42	-1.0	-56.99	338.97	4.32	-52.67
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008120413	0	37	-1.0	-53.99	317.00	3.54	-50.45
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008120414	0	37	-1.0	-54.58	322.50	3.01	-51.57
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008120415	0	45	-1.0	-54.49	351.65	5.80	-48.69
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008120416	0	37	-1.0	-55.11	325.76	3.23	-51.88
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120417	0	46	-1.0	-57.97	378.04	3.79	-54.18
CSC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120418	0	38	-1.0	-58.52	299.98	5.17	-53.35
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008120419	0	42	-1.0	-56.01	363.41	0.92	-55.09
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300008120420	0	45	-1.0	-49.69	351.03	4.79	-44.90
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1F	REAL300008120421	0	45	-1.0	-55.02	384.88	1.81	-53.21
CCC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120422	0	43	-1.0	-57.91	340.79	6.85	-51.06
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CS1	REAL300008120423	0	37	-1.0	-56.10	309.62	5.29	-50.81
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008120424	0	49	-1.0	-55.97	398.23	4.60	-51.37
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008120425	0	46	-1.0	-48.39	363.67	3.93	-44.46
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120426	0	43	-1.0	-65.04	356.39	2.96	-62.08
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120427	0	44	-1.0	-67.24	355.09	2.02	-65.22
CC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008120428	0	43	-1.0	-58.56	336.67	6.55	-52.01
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Br	REAL300008120429	0	41	-1.0	-53.50	356.24	5.05	-48.45
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300008120430	0	48	-1.0	-55.31	380.86	7.66	-47.65
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008120431	0	38	-1.0	-52.34	319.34	5.23	-47.11
COC1=CC=C(Br)C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120432	0	41	-1.0	-57.66	353.00	4.85	-52.81
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCOC(C)(C)C1	REAL300008120433	0	43	-1.0	-53.29	317.62	3.34	-49.95
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008120434	0	48	-1.0	-53.75	387.39	6.52	-47.23
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120435	0	41	-1.0	-56.85	333.37	4.98	-51.87
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300008120436	0	46	-1.0	-55.27	365.10	6.11	-49.16
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120437	0	41	-1.0	-61.01	336.87	-0.51	-61.52
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300008120438	0	40	-1.0	-54.44	329.22	6.20	-48.24
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008120439	0	37	-1.0	-53.47	329.88	6.54	-46.93
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300008120440	0	40	-1.0	-52.17	346.35	6.89	-45.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008120441	0	37	-1.0	-41.31	328.15	6.08	-35.23
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008120442	0	40	-1.0	-43.74	332.53	7.17	-36.57
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008120443	0	40	-1.0	-57.10	335.21	6.35	-50.75
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008120444	0	45	-1.0	-58.04	355.74	6.00	-52.04
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008120445	0	48	-1.0	-40.93	389.90	8.20	-32.73
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008120446	0	47	-1.0	-58.88	380.73	6.09	-52.79
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008120447	0	45	-1.0	-61.06	374.55	1.76	-59.30
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300008120448	0	43	-1.0	-53.07	340.53	7.29	-45.78
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1N(C)C	REAL300008120449	0	45	-1.0	-53.68	359.37	4.81	-48.87
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300008120450	0	40	-1.0	-57.92	335.67	6.64	-51.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008120451	0	39	-1.0	-45.38	312.10	1.63	-43.75
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCOCC1CCCC1	REAL300008120452	0	47	-1.0	-54.25	358.95	5.16	-49.09
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300008120453	0	41	-1.0	-39.22	334.74	4.94	-34.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008120454	0	43	-1.0	-71.16	358.66	2.94	-68.22
CSC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300008120455	0	38	-1.0	-54.45	327.86	6.07	-48.38
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120456	0	46	-1.0	-44.46	345.48	4.28	-40.18
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008120457	0	42	-1.0	-50.03	345.38	3.06	-46.97
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C12	REAL300008120458	0	41	-1.0	-49.77	333.86	2.23	-47.54
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008120459	0	45	-1.0	-50.25	370.71	4.32	-45.93
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008120460	0	39	-1.0	-52.52	318.62	3.55	-48.97
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(CC)=C1	REAL300008120461	0	52	-1.0	-53.05	382.67	9.06	-43.99
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008120462	0	41	-1.0	-61.20	316.13	5.80	-55.40
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008120463	0	40	-1.0	-50.51	353.10	2.19	-48.32
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008120464	0	43	-1.0	-65.93	350.19	7.82	-58.11
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1F	REAL300008120465	0	41	-1.0	-52.35	334.52	4.34	-48.01
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1(C)CCCCC1	REAL300008120466	0	46	-1.0	-57.07	322.88	6.17	-50.90
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008120467	0	43	-1.0	-55.43	333.52	5.85	-49.58
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008120469	0	42	-1.0	-51.61	342.28	5.71	-45.90
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120470	0	41	-1.0	-52.90	356.30	4.39	-48.51
CC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300008120471	0	40	-1.0	-61.15	324.70	6.14	-55.01
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008120473	0	34	-1.0	-52.05	306.65	4.81	-47.24
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008120474	0	47	-1.0	-58.26	362.97	7.99	-50.27
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008120475	0	45	-1.0	-58.27	356.09	5.42	-52.85
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008120476	0	43	-1.0	-67.25	336.19	1.79	-65.46
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008120477	0	37	-1.0	-54.00	310.92	5.18	-48.82
CC1=C(CCS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)SC=N1	REAL300008120478	0	39	-1.0	-56.09	323.37	3.93	-52.16
CC(C)C(CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300008120479	0	44	-1.0	-41.06	319.72	5.74	-35.32
COC1=CC=C2C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)CCC2=C1	REAL300008120480	0	46	-1.0	-55.42	355.76	6.19	-49.23
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008120481	0	45	-1.0	-64.57	347.33	1.78	-62.79
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1CCCCC1(F)F	REAL300008120482	0	43	-1.0	-54.24	335.27	5.47	-48.77
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008120483	0	41	-1.0	-56.58	334.63	6.40	-50.18
CCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008120484	0	42	-1.0	-59.30	336.52	6.35	-52.95
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008120485	0	34	-1.0	-51.75	291.10	5.10	-46.65
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008120486	0	34	-1.0	-51.61	295.66	5.20	-46.41
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008120487	0	36	-1.0	-50.30	302.42	5.23	-45.07
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008120488	0	40	-1.0	-56.12	320.22	6.77	-49.35
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008120489	0	36	-1.0	-53.09	302.65	5.20	-47.89
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120490	0	39	-1.0	-58.59	327.99	5.63	-52.96
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120491	0	38	-1.0	-54.38	303.86	3.89	-50.49
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008120492	0	36	-1.0	-48.30	291.37	5.87	-42.43
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120493	0	41	-1.0	-40.94	346.38	6.04	-34.90
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120494	0	41	-1.0	-54.61	325.57	4.78	-49.83
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1C	REAL300008120495	0	46	-1.0	-53.32	346.16	6.88	-46.44
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300008120496	0	43	-1.0	-53.83	320.85	6.50	-47.33
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120497	0	49	-1.0	-40.79	365.52	7.21	-33.58
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008120498	0	37	-1.0	-52.62	312.94	5.56	-47.06
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008120499	0	37	-1.0	-41.43	296.25	5.73	-35.70
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008120500	0	34	-1.0	-52.71	290.95	5.07	-47.64
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120501	0	39	-1.0	-54.67	324.96	4.55	-50.12
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008120502	0	40	-1.0	-54.21	329.71	5.30	-48.91
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300008120503	0	46	-1.0	-54.76	350.42	6.88	-47.88
CC(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120504	0	43	-1.0	-54.89	334.44	6.48	-48.41
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300008120505	0	45	-1.0	-56.27	369.79	2.55	-53.72
CCCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120506	0	43	-1.0	-55.00	338.61	6.77	-48.23
COC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120507	0	38	-1.0	-59.03	293.97	3.81	-55.22
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Br	REAL300008120508	0	38	-1.0	-55.36	324.11	4.52	-50.84
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1Br	REAL300008120509	0	37	-1.0	-50.93	323.96	5.33	-45.60
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C2)=C1	REAL300008120510	0	48	-1.0	-53.28	384.56	8.09	-45.19
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008120511	0	38	-1.0	-51.73	320.35	4.38	-47.35
CC1=C(C)C(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1C	REAL300008120512	0	49	-1.0	-54.77	346.11	7.38	-47.39
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008120513	0	43	-1.0	-55.90	337.02	4.49	-51.41
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120514	0	50	-1.0	-59.20	370.57	6.82	-52.38
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008120515	0	39	-1.0	-59.48	317.90	5.70	-53.78
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120516	0	38	-1.0	-56.76	315.69	5.12	-51.64
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120517	0	52	-1.0	-53.41	375.83	8.16	-45.25
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008120518	0	37	-1.0	-51.14	313.12	5.58	-45.56
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008120519	0	44	-1.0	-55.87	336.95	7.04	-48.83
COC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120520	0	42	-1.0	-43.94	332.32	3.95	-39.99
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1OC	REAL300008120521	0	42	-1.0	-55.31	331.05	3.78	-51.53
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008120522	0	41	-1.0	-55.98	319.90	6.49	-49.49
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008120523	0	42	-1.0	-54.35	340.38	6.62	-47.73
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008120524	0	39	-1.0	-54.45	310.14	4.40	-50.05
CC(C)CCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120525	0	49	-1.0	-54.95	377.68	8.05	-46.90
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1OCC	REAL300008120526	0	48	-1.0	-55.48	376.58	5.55	-49.93
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008120527	0	39	-1.0	-57.49	327.46	-0.40	-57.89
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1C	REAL300008120528	0	42	-1.0	-37.62	334.59	6.11	-31.51
CC1=CC2=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C2N=C1	REAL300008120529	0	42	-1.0	-64.07	324.83	6.27	-57.80
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300008120530	0	40	-1.0	-48.99	321.17	4.92	-44.07
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120531	0	38	-1.0	-54.64	310.72	4.33	-50.31
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008120532	0	39	-1.0	-60.17	338.65	-0.88	-61.05
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008120533	0	46	-1.0	-58.01	383.22	2.40	-55.61
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300008120534	0	42	-1.0	-33.35	334.94	5.94	-27.41
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008120535	0	43	-1.0	-38.95	323.42	5.46	-33.49
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300008120536	0	42	-1.0	-55.11	340.89	5.49	-49.62
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008120537	0	42	-1.0	-49.06	330.73	6.89	-42.17
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300008120538	0	45	-1.0	-60.41	368.18	2.58	-57.83
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008120539	0	46	-1.0	-66.37	358.93	3.89	-62.48
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008120540	0	40	-1.0	-62.47	333.33	2.09	-60.38
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008120541	0	44	-1.0	-40.72	343.12	8.06	-32.66
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CC(C)CC(C)C1	REAL300008120542	0	45	-1.0	-38.15	323.79	4.72	-33.43
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008120543	0	40	-1.0	-57.66	325.59	6.56	-51.10
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008120544	0	44	-1.0	-55.47	348.37	7.98	-47.49
CC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120545	0	37	-1.0	-37.83	295.70	4.97	-32.86
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300008120546	0	48	-1.0	-44.35	369.56	6.34	-38.01
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008120547	0	35	-1.0	-60.55	290.39	2.86	-57.69
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120548	0	38	-1.0	-56.91	311.13	5.02	-51.89
COC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120549	0	38	-1.0	-55.50	301.76	3.87	-51.63
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120550	0	49	-1.0	-53.58	374.91	6.94	-46.64
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300008120551	0	37	-1.0	-52.81	309.69	5.65	-47.16
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120552	0	44	-1.0	-54.53	343.57	5.43	-49.10
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008120553	0	35	-1.0	-61.39	279.38	3.26	-58.13
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008120554	0	39	-1.0	-53.58	338.51	6.51	-47.07
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008120555	0	39	-1.0	-64.29	305.63	5.66	-58.63
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008120556	0	45	-1.0	-54.94	377.38	7.78	-47.16
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120557	0	40	-1.0	-52.79	321.61	5.12	-47.67
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1F	REAL300008120558	0	38	-1.0	-54.46	320.18	3.53	-50.93
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1F	REAL300008120559	0	37	-1.0	-52.75	300.94	5.25	-47.50
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008120560	0	45	-1.0	-53.81	380.21	7.94	-45.87
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C2)C=C1	REAL300008120561	0	49	-1.0	-53.44	391.43	6.63	-46.81
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300008120562	0	61	-1.0	-53.52	446.11	10.12	-43.40
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008120563	0	50	-1.0	-55.74	393.87	7.41	-48.33
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008120564	0	37	-1.0	-57.21	330.22	6.39	-50.82
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008120565	0	44	-1.0	-45.62	344.43	5.80	-39.82
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120566	0	39	-1.0	-37.89	315.96	5.67	-32.22
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120567	0	39	-1.0	-43.06	310.23	5.49	-37.57
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120568	0	42	-1.0	-38.07	329.05	6.46	-31.61
CC(C)CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120569	0	46	-1.0	-55.18	355.41	7.23	-47.95
COCCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120570	0	44	-1.0	-54.21	361.04	4.66	-49.55
COCCN(CCOC)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120571	0	46	-1.0	-37.73	342.15	2.54	-35.19
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120572	0	37	-1.0	-54.87	316.16	5.52	-49.35
COC1=C(C)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008120573	0	44	-1.0	-53.80	347.81	5.45	-48.35
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120574	0	50	-1.0	-53.58	384.19	6.90	-46.68
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008120575	0	48	-1.0	-53.42	366.66	6.83	-46.59
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120576	0	47	-1.0	-53.62	367.32	6.31	-47.31
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120577	0	44	-1.0	-53.66	347.22	5.61	-48.05
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300008120578	0	38	-1.0	-53.89	329.99	4.01	-49.88
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008120579	0	38	-1.0	-53.86	327.56	4.70	-49.16
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008120580	0	41	-1.0	-54.02	334.07	4.20	-49.82
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300008120581	0	47	-1.0	-53.55	373.85	5.75	-47.80
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300008120582	0	41	-1.0	-42.05	318.76	4.19	-37.86
COCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120583	0	45	-1.0	-55.84	358.24	4.15	-51.69
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1F	REAL300008120584	0	37	-1.0	-58.47	303.29	5.46	-53.01
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120585	0	37	-1.0	-37.89	310.60	5.51	-32.38
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1C	REAL300008120586	0	42	-1.0	-59.52	333.27	7.15	-52.37
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120587	0	43	-1.0	-43.58	349.78	2.42	-41.16
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008120588	0	46	-1.0	-56.04	382.29	2.49	-53.55
CC1=NC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S1	REAL300008120589	0	36	-1.0	-53.51	297.36	3.07	-50.44
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008120590	0	37	-1.0	-42.22	311.37	5.57	-36.65
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1F	REAL300008120591	0	38	-1.0	-52.02	309.94	3.92	-48.10
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008120592	0	44	-1.0	-58.36	348.40	7.95	-50.41
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008120593	0	37	-1.0	-55.71	340.26	5.99	-49.72
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S2)=CS1	REAL300008120594	0	40	-1.0	-55.21	353.53	5.16	-50.05
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008120595	0	54	-1.0	-53.45	408.78	8.17	-45.28
CNC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CN1C	REAL300008120596	0	42	-1.0	-55.48	348.70	1.75	-53.73
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300008120597	0	44	-1.0	-51.88	340.98	4.96	-46.92
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008120598	0	45	-1.0	-54.51	368.70	8.28	-46.23
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008120599	0	44	-1.0	-41.39	338.74	5.12	-36.27
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300008120600	0	42	-1.0	-54.46	319.15	5.59	-48.87
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008120601	0	39	-1.0	-57.29	320.92	4.73	-52.56
CCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300008120602	0	39	-1.0	-53.33	325.41	4.65	-48.68
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008120603	0	41	-1.0	-56.17	345.13	5.24	-50.93
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008120604	0	48	-1.0	-55.01	385.46	7.83	-47.18
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120605	0	42	-1.0	-61.12	335.35	5.84	-55.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008120606	0	44	-1.0	-57.26	360.44	6.00	-51.26
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008120607	0	37	-1.0	-71.24	301.93	3.56	-67.68
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120608	0	56	-1.0	-38.75	407.57	7.42	-31.33
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300008120609	0	42	-1.0	-60.81	346.60	1.24	-59.57
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008120610	0	37	-1.0	-59.00	304.72	5.48	-53.52
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008120611	0	47	-1.0	-45.60	366.33	6.76	-38.84
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120612	0	44	-1.0	-44.05	347.33	6.06	-37.99
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008120613	0	39	-1.0	-67.08	332.84	4.32	-62.76
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008120614	0	41	-1.0	-53.77	334.97	5.51	-48.26
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120615	0	48	-1.0	-55.23	391.32	4.62	-50.61
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120616	0	50	-1.0	-52.67	400.34	6.74	-45.93
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008120617	0	44	-1.0	-41.62	329.76	6.88	-34.74
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008120618	0	38	-1.0	-51.41	340.88	5.62	-45.79
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300008120619	0	39	-1.0	-53.91	310.25	3.80	-50.11
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008120620	0	42	-1.0	-64.51	346.69	5.54	-58.97
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008120621	0	39	-1.0	-56.29	320.52	4.75	-51.54
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300008120622	0	44	-1.0	-42.12	340.62	5.11	-37.01
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008120623	0	38	-1.0	-44.03	312.87	4.92	-39.11
CSC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120624	0	38	-1.0	-52.92	324.70	5.18	-47.74
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008120625	0	40	-1.0	-59.00	335.01	6.42	-52.58
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120626	0	45	-1.0	-35.49	345.92	6.26	-29.23
CCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)N=C1C	REAL300008120627	0	40	-1.0	-60.52	313.39	5.73	-54.79
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008120628	0	40	-1.0	-45.64	322.33	3.89	-41.75
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008120629	0	39	-1.0	-44.35	310.54	4.74	-39.61
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008120630	0	46	-1.0	-56.81	364.84	6.57	-50.24
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300008120631	0	40	-1.0	-52.48	328.57	6.02	-46.46
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008120632	0	40	-1.0	-44.97	349.33	5.64	-39.33
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008120633	0	43	-1.0	-57.38	339.05	6.17	-51.21
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C12	REAL300008120634	0	42	-1.0	-52.17	340.53	4.21	-47.96
COCC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120635	0	41	-1.0	-56.80	329.50	4.25	-52.55
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300008120636	0	45	-1.0	-42.76	346.71	5.46	-37.30
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300008120637	0	37	-1.0	-57.18	311.33	5.88	-51.30
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008120638	0	42	-1.0	-48.31	336.08	4.81	-43.50
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008120639	0	37	-1.0	-56.71	323.41	6.35	-50.36
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300008120640	0	42	-1.0	-54.57	331.11	5.15	-49.42
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120641	0	46	-1.0	-39.76	327.14	7.43	-32.33
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120642	0	46	-1.0	-52.14	360.90	3.10	-49.04
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008120643	0	45	-1.0	-53.47	389.88	7.52	-45.95
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008120644	0	40	-1.0	-47.78	341.55	5.81	-41.97
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008120645	0	40	-1.0	-44.88	359.67	6.09	-38.79
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C2)=CO1	REAL300008120646	0	43	-1.0	-57.11	350.66	3.57	-53.54
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008120647	0	37	-1.0	-46.43	310.98	2.81	-43.62
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008120648	0	37	-1.0	-55.68	315.23	4.63	-51.05
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008120649	0	37	-1.0	-55.30	300.43	3.24	-52.06
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=N1	REAL300008120650	0	37	-1.0	-51.18	311.68	0.80	-50.38
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCN12	REAL300008120651	0	38	-1.0	-51.97	306.70	3.26	-48.71
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008120652	0	42	-1.0	-54.32	338.18	4.79	-49.53
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=N2)C=C1	REAL300008120653	0	44	-1.0	-53.52	356.38	6.18	-47.34
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300008120654	0	42	-1.0	-51.91	346.05	5.69	-46.22
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300008120655	0	39	-1.0	-50.02	318.23	5.67	-44.35
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=N1	REAL300008120656	0	45	-1.0	-58.79	362.19	5.18	-53.61
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008120657	0	36	-1.0	-53.17	306.26	3.91	-49.26
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300008120658	0	42	-1.0	-56.65	324.98	4.93	-51.72
CC1=CC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C2C=C1	REAL300008120659	0	43	-1.0	-55.34	339.65	7.48	-47.86
COC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)SC=C1	REAL300008120660	0	35	-1.0	-44.88	295.43	2.49	-42.39
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300008120661	0	42	-1.0	-55.07	335.61	4.55	-50.52
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008120662	0	39	-1.0	-44.40	311.42	4.44	-39.96
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008120663	0	39	-1.0	-59.71	321.32	4.76	-54.95
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008120664	0	39	-1.0	-55.61	309.95	4.36	-51.25
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008120665	0	40	-1.0	-55.53	345.03	6.28	-49.25
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300008120666	0	46	-1.0	-55.79	348.54	5.11	-50.68
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008120667	0	36	-1.0	-50.98	307.80	3.77	-47.21
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120668	0	42	-1.0	-63.50	326.61	4.93	-58.57
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120669	0	42	-1.0	-43.52	333.67	6.23	-37.29
CC1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300008120670	0	42	-1.0	-60.28	327.55	7.35	-52.93
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008120671	0	42	-1.0	-37.66	334.24	6.30	-31.36
COC1=CC=C(CCS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120672	0	44	-1.0	-57.21	348.97	5.50	-51.71
COC1=CN=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120673	0	37	-1.0	-53.49	299.00	1.93	-51.56
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300008120674	0	43	-1.0	-55.67	347.11	6.26	-49.41
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008120675	0	41	-1.0	-54.62	322.50	6.75	-47.87
COC1=CC(OC)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120676	0	42	-1.0	-57.19	333.24	3.17	-54.02
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1CCCCC1	REAL300008120677	0	46	-1.0	-56.68	340.18	6.37	-50.31
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)OCO2	REAL300008120678	0	40	-1.0	-55.07	325.64	3.59	-51.48
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008120679	0	37	-1.0	-60.55	294.40	4.80	-55.75
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300008120680	0	38	-1.0	-50.87	330.01	4.02	-46.85
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300008120681	0	42	-1.0	-66.25	327.41	6.19	-60.06
CCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1CC	REAL300008120682	0	46	-1.0	-55.43	349.71	7.15	-48.28
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120683	0	42	-1.0	-47.37	339.80	6.34	-41.03
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120684	0	44	-1.0	-57.08	332.00	6.07	-51.01
CC1=C(C)SC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120685	0	37	-1.0	-55.89	307.72	5.03	-50.86
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300008120686	0	35	-1.0	-50.62	307.23	2.04	-48.58
CCC1=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S1	REAL300008120687	0	36	-1.0	-52.91	304.04	3.14	-49.77
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300008120688	0	41	-1.0	-55.32	321.10	4.31	-51.01
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S1	REAL300008120689	0	37	-1.0	-54.09	299.57	4.99	-49.10
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008120690	0	40	-1.0	-39.69	323.31	6.12	-33.57
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008120691	0	37	-1.0	-44.16	302.10	3.04	-41.12
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC(C)=C1F	REAL300008120692	0	40	-1.0	-51.74	321.24	5.90	-45.84
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008120693	0	41	-1.0	-57.71	330.21	4.32	-53.39
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008120694	0	36	-1.0	-60.66	300.17	3.82	-56.84
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008120695	0	37	-1.0	-56.14	312.61	6.00	-50.14
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300008120696	0	37	-1.0	-51.02	319.93	5.25	-45.77
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008120697	0	40	-1.0	-64.87	322.51	5.57	-59.30
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C2)=N1	REAL300008120698	0	43	-1.0	-54.78	358.49	6.03	-48.75
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008120699	0	42	-1.0	-43.99	326.99	5.95	-38.04
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008120700	0	41	-1.0	-62.63	339.36	2.41	-60.22
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008120701	0	43	-1.0	-55.99	323.97	5.02	-50.97
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008120702	0	37	-1.0	-55.68	318.12	5.86	-49.82
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120703	0	59	-1.0	-52.68	464.84	9.09	-43.59
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120704	0	47	-1.0	-53.42	374.51	5.83	-47.59
COC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C1CCCC1	REAL300008120705	0	47	-1.0	-54.37	356.80	4.53	-49.84
COC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C1CCCCC1	REAL300008120706	0	50	-1.0	-57.62	364.26	5.61	-52.01
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008120707	0	48	-1.0	-56.80	391.69	7.91	-48.89
CCOC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C1CC1	REAL300008120708	0	44	-1.0	-58.89	340.32	4.88	-54.01
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300008120709	0	53	-1.0	-54.64	405.66	7.59	-47.05
CCC1=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CN1CC1CC1	REAL300008120710	0	47	-1.0	-60.54	376.75	7.14	-53.40
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008120711	0	37	-1.0	-53.15	313.53	4.06	-49.09
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300008120712	0	42	-1.0	-45.93	337.63	6.65	-39.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300008120713	0	41	-1.0	-50.97	328.63	3.85	-47.12
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008120714	0	47	-1.0	-43.93	376.28	6.69	-37.24
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300008120715	0	37	-1.0	-48.61	316.41	3.34	-45.27
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008120716	0	45	-1.0	-55.84	385.08	8.25	-47.59
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008120717	0	44	-1.0	-58.53	351.50	7.63	-50.90
CCC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300008120718	0	47	-1.0	-55.46	367.34	5.79	-49.67
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008120719	0	40	-1.0	-50.85	344.48	6.52	-44.33
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008120720	1	36	-1.0	-68.09	299.97	4.34	-63.75
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300008120721	0	43	-1.0	-56.08	336.35	7.35	-48.73
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=N1	REAL300008120722	0	43	-1.0	-52.33	343.68	3.05	-49.28
COC1=C(F)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120723	0	38	-1.0	-41.13	304.23	4.60	-36.53
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300008120724	0	50	-1.0	-55.11	384.16	6.79	-48.32
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300008120725	0	46	-1.0	-51.58	362.72	6.41	-45.17
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008120726	0	53	-1.0	-57.45	397.73	9.28	-48.17
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2CCCCC2=NN1C	REAL300008120727	0	44	-1.0	-51.31	331.00	4.87	-46.44
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300008120728	0	46	-1.0	-42.32	349.84	4.36	-37.96
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008120729	0	44	-1.0	-54.50	342.16	4.82	-49.68
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300008120730	0	37	-1.0	-51.71	301.00	3.47	-48.24
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120731	0	41	-1.0	-58.61	331.06	4.87	-53.74
C=CCCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120732	0	44	-1.0	-54.02	361.68	6.93	-47.09
CCC1=NN(C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120733	0	40	-1.0	-43.98	311.25	3.29	-40.69
CCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300008120734	0	56	-1.0	-52.76	437.43	7.98	-44.78
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008120735	0	38	-1.0	-54.26	324.10	6.54	-47.72
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300008120736	0	56	-1.0	-53.72	428.50	7.87	-45.85
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1CC	REAL300008120737	0	50	-1.0	-53.72	388.68	7.03	-46.69
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120738	0	40	-1.0	-50.08	316.13	6.36	-43.72
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120739	0	40	-1.0	-56.43	335.43	6.56	-49.87
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008120740	0	38	-1.0	-56.08	322.14	6.41	-49.67
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120741	0	43	-1.0	-56.12	337.87	6.67	-49.45
COC1=NC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120742	0	37	-1.0	-57.92	291.42	1.86	-56.06
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120743	0	50	-1.0	-54.79	397.95	6.87	-47.92
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008120744	0	39	-1.0	-57.77	320.83	4.70	-53.07
CC1=CSC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120745	0	37	-1.0	-50.83	292.23	5.04	-45.79
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008120746	0	41	-1.0	-54.05	334.50	3.79	-50.26
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300008120747	0	41	-1.0	-50.42	329.77	4.10	-46.32
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008120748	0	44	-1.0	-50.71	339.56	5.10	-45.61
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300008120749	0	45	-1.0	-58.71	344.00	1.91	-56.80
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008120750	0	40	-1.0	-54.33	340.65	5.46	-48.87
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300008120751	0	41	-1.0	-56.63	317.27	4.72	-51.91
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300008120752	0	59	-1.0	-52.73	458.93	8.76	-43.97
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008120753	0	50	-1.0	-40.73	372.68	6.21	-34.52
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120754	0	44	-1.0	-40.77	348.60	6.17	-34.60
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2OC(C)CC2=CC=C1	REAL300008120755	0	42	-1.0	-45.46	333.30	5.09	-40.37
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300008120756	0	42	-1.0	-53.04	342.49	4.22	-48.82
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008120757	0	40	-1.0	-57.78	322.02	5.03	-52.75
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120758	0	39	-1.0	-63.35	313.31	3.54	-59.81
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008120759	0	43	-1.0	-40.66	314.78	4.45	-36.21
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008120760	0	35	-1.0	-49.16	299.34	2.94	-46.22
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008120761	0	37	-1.0	-55.17	323.18	5.61	-49.56
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300008120762	0	41	-1.0	-49.09	322.98	4.67	-44.42
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1F	REAL300008120763	0	43	-1.0	-50.30	337.89	6.43	-43.87
COC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1OC	REAL300008120764	0	42	-1.0	-43.66	327.20	4.31	-39.35
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300008120765	0	37	-1.0	-44.71	304.81	4.44	-40.27
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300008120766	0	47	-1.0	-54.41	371.42	4.96	-49.45
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120767	0	46	-1.0	-55.27	351.13	4.84	-50.43
CCCCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=N1	REAL300008120768	0	46	-1.0	-45.13	361.03	4.96	-40.17
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300008120769	0	41	-1.0	-54.54	342.83	4.01	-50.53
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008120770	0	38	-1.0	-56.47	313.44	4.13	-52.34
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300008120771	0	39	-1.0	-68.93	310.49	2.89	-66.04
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Br	REAL300008120772	0	40	-1.0	-38.42	328.72	6.25	-32.17
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCCC(C)(C)C1	REAL300008120773	0	45	-1.0	-56.25	330.86	4.24	-52.01
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008120774	0	40	-1.0	-51.57	340.43	5.56	-46.01
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300008120775	0	44	-1.0	-45.46	344.11	4.40	-41.06
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120776	0	52	-1.0	-39.93	384.77	7.98	-31.95
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008120777	0	40	-1.0	-52.44	345.64	6.41	-46.03
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008120778	0	44	-1.0	-53.01	358.55	4.76	-48.25
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008120779	0	38	-1.0	-57.02	307.50	5.87	-51.15
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008120780	0	45	-1.0	-41.55	374.23	7.52	-34.03
COC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300008120781	0	43	-1.0	-69.21	349.02	5.36	-63.85
CCCC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120782	0	43	-1.0	-55.49	338.83	6.74	-48.75
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2CCCC2=NN1C	REAL300008120783	0	41	-1.0	-51.86	329.86	3.60	-48.26
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300008120784	0	43	-1.0	-42.85	322.17	4.35	-38.50
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300008120785	0	43	-1.0	-53.06	349.07	3.84	-49.22
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300008120786	0	41	-1.0	-43.44	321.14	3.08	-40.36
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300008120787	0	39	-1.0	-48.51	335.15	3.92	-44.59
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008120788	0	37	-1.0	-49.92	318.05	5.66	-44.26
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120789	0	45	-1.0	-60.75	356.83	6.61	-54.14
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008120790	0	45	-1.0	-56.86	340.76	7.54	-49.32
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008120791	0	40	-1.0	-52.17	348.34	5.24	-46.93
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008120792	0	40	-1.0	-53.92	314.05	5.57	-48.35
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008120793	0	34	-1.0	-39.41	290.30	4.56	-34.85
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008120794	0	41	-1.0	-54.86	333.71	6.25	-48.61
COC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=CS1	REAL300008120795	0	35	-1.0	-57.57	288.57	3.37	-54.20
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008120796	0	44	-1.0	-51.08	338.16	5.44	-45.64
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120797	0	43	-1.0	-51.13	331.05	4.45	-46.68
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCCCCC1	REAL300008120798	0	48	-1.0	-38.53	337.93	5.41	-33.12
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300008120799	0	48	-1.0	-44.12	369.06	3.06	-41.06
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300008120800	0	40	-1.0	-53.67	327.65	6.06	-47.61
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008120801	0	38	-1.0	-54.88	313.48	4.14	-50.74
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008120802	0	49	-1.0	-56.37	367.07	7.69	-48.68
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S1	REAL300008120803	0	35	-1.0	-53.86	295.91	3.12	-50.74
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300008120804	0	45	-1.0	-65.92	345.66	6.66	-59.26
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008120805	0	42	-1.0	-55.03	341.28	4.48	-50.55
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CCF)N=C1	REAL300008120806	0	37	-1.0	-54.83	305.58	3.17	-51.66
CCOCC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120807	0	44	-1.0	-56.77	351.36	5.22	-51.55
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300008120808	0	44	-1.0	-52.19	354.46	5.91	-46.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008120809	0	47	-1.0	-54.63	360.83	5.39	-49.24
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008120810	0	45	-1.0	-53.18	361.93	7.34	-45.84
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CF	REAL300008120811	0	37	-1.0	-56.98	300.81	4.95	-52.03
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300008120812	0	40	-1.0	-52.16	331.91	6.31	-45.85
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008120813	0	43	-1.0	-45.26	333.90	7.02	-38.24
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300008120814	0	44	-1.0	-48.22	352.13	5.46	-42.76
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008120815	0	38	-1.0	-54.55	315.55	5.97	-48.58
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008120816	0	38	-1.0	-54.17	328.66	6.64	-47.53
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008120817	0	38	-1.0	-54.00	330.45	6.53	-47.47
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300008120818	0	39	-1.0	-63.34	317.41	-1.35	-64.69
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008120819	0	37	-1.0	-55.91	310.05	4.46	-51.45
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1CCC(F)(F)CC1	REAL300008120820	0	40	-1.0	-43.98	302.38	4.49	-39.49
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008120821	0	36	-1.0	-54.60	305.15	3.96	-50.64
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCOC1CCOC1	REAL300008120822	0	42	-1.0	-54.91	328.94	1.88	-53.03
CC1=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300008120823	0	43	-1.0	-60.52	347.42	4.85	-55.67
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008120824	0	51	-1.0	-59.00	351.12	7.52	-51.48
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1CC(C)(C)CO1	REAL300008120825	0	44	-1.0	-59.83	343.07	3.58	-56.25
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300008120826	0	37	-1.0	-64.35	303.72	0.41	-63.94
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC(C)(C)C(C)(F)F	REAL300008120827	0	42	-1.0	-54.50	313.27	5.08	-49.42
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300008120828	0	42	-1.0	-65.93	345.03	1.51	-64.42
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1CCC(C)(C)CO1	REAL300008120829	0	47	-1.0	-60.54	349.14	4.71	-55.83
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008120830	0	44	-1.0	-56.73	344.45	6.93	-49.80
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008120831	0	38	-1.0	-63.35	320.70	3.77	-59.58
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008120832	0	44	-1.0	-59.38	357.50	7.58	-51.80
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008120833	0	43	-1.0	-62.05	326.49	2.25	-59.80
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008120834	0	47	-1.0	-57.16	339.93	6.74	-50.42
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008120835	0	38	-1.0	-55.68	317.58	5.94	-49.74
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300008120836	0	56	-1.0	-56.15	403.92	8.72	-47.43
COC1=CC=C(C=C(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300008120837	0	45	-1.0	-55.62	348.54	5.58	-50.04
COC1=CSC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1OC	REAL300008120838	0	39	-1.0	-59.29	332.67	1.85	-57.44
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008120839	0	46	-1.0	-54.62	342.82	4.67	-49.95
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300008120840	0	45	-1.0	-40.10	346.97	6.25	-33.85
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008120841	0	38	-1.0	-42.71	320.58	5.44	-37.27
COC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300008120842	0	38	-1.0	-57.55	311.56	4.09	-53.46
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008120843	0	38	-1.0	-57.10	319.66	4.19	-52.91
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300008120844	0	40	-1.0	-52.84	316.77	4.68	-48.16
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300008120845	0	41	-1.0	-58.20	327.86	6.28	-51.92
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008120846	0	43	-1.0	-53.57	351.14	5.08	-48.49
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120847	0	47	-1.0	-52.88	372.62	6.34	-46.54
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008120848	0	45	-1.0	-56.37	374.87	7.07	-49.30
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300008120849	0	40	-1.0	-41.93	308.85	6.20	-35.73
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008120850	0	35	-1.0	-56.69	306.92	3.43	-53.26
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120851	0	45	-1.0	-55.87	357.90	6.18	-49.69
CCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300008120852	0	44	-1.0	-44.87	348.02	4.75	-40.12
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300008120853	0	38	-1.0	-56.49	307.27	3.47	-53.02
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008120854	0	40	-1.0	-53.45	335.00	7.33	-46.12
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008120855	0	44	-1.0	-52.56	375.41	8.09	-44.47
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008120856	0	33	-1.0	-53.28	290.53	3.69	-49.59
CCC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1Br	REAL300008120857	0	40	-1.0	-51.74	333.18	6.38	-45.36
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120858	0	47	-1.0	-51.35	359.96	5.97	-45.38
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CS1	REAL300008120859	0	31	-1.0	-51.53	282.83	4.14	-47.39
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300008120860	0	48	-1.0	-59.44	370.52	4.30	-55.14
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008120861	0	40	-1.0	-44.43	334.11	7.07	-37.36
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2COCCC2=NN1C	REAL300008120862	0	42	-1.0	-51.08	323.62	2.35	-48.73
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008120863	0	41	-1.0	-39.83	315.43	6.34	-33.49
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C)(C)CC1	REAL300008120864	0	45	-1.0	-38.40	312.02	4.21	-34.19
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008120865	0	49	-1.0	-54.08	386.39	4.54	-49.54
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300008120866	0	37	-1.0	-53.48	306.60	2.27	-51.21
COC1=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008120867	0	40	-1.0	-51.64	321.53	1.91	-49.73
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CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCC(=CC2=CC=CS2)CC1	REAL300008120971	0	40	-1.0	-50.74	340.97	6.42	-44.32
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC(=CC3=CC=CS3)CC2)=C1	REAL300008120972	0	39	-1.0	-48.11	346.96	6.19	-41.92
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCC(=CC2=CC=CS2)CC1	REAL300008120973	0	43	-1.0	-57.84	364.46	9.19	-48.65
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCC(=CC3=CC=CS3)CC2)=C1	REAL300008120974	0	37	-1.0	-47.65	350.41	6.73	-40.92
COC1=CC=C(S(=O)(=O)N2CCC(=CC3=CC=CS3)CC2)C(C(=O)[O-])=C1	REAL300008120975	0	44	-1.0	-65.08	365.53	8.34	-56.74
O=C([O-])C1=CC(S(=O)(=O)N2CCC(=CC3=CC=CS3)CC2)=CC=N1	REAL300008120976	0	39	-1.0	-54.78	346.83	6.29	-48.49
O=C([O-])C1=CC(S(=O)(=O)N2CCC(=CC3=CC=CS3)CC2)=NN1	REAL300008120977	0	37	-1.0	-45.37	334.23	4.33	-41.04
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(=CC2=CC=CS2)CC1	REAL300008120978	0	40	-1.0	-55.05	347.43	5.67	-49.38
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC(=CC3=CC=CS3)CC2)C1	REAL300008120979	0	40	-1.0	-51.47	340.99	7.21	-44.26
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCC(=CC3=CC=CS3)CC2)C1	REAL300008120980	0	43	-1.0	-54.37	350.66	7.49	-46.88
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC(=CC3=CC=CS3)CC2)S1	REAL300008120981	0	40	-1.0	-51.61	360.82	7.75	-43.86
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC(=CC2=CC=CS2)CC1	REAL300008120982	0	43	-1.0	-61.73	354.85	9.30	-52.43
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC(=CC2=CC=CS2)CC1	REAL300008120983	0	40	-1.0	-53.61	347.42	7.41	-46.20
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC(=CC2=CC=CS2)CC1	REAL300008120984	0	45	-1.0	-53.56	353.81	7.88	-45.68
O=C([O-])C1=CC(S(=O)(=O)N2CCC(=CC3=CC=CS3)CC2)=NN1	REAL300008120985	0	37	-1.0	-45.37	334.23	4.33	-41.04
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC(=CC2=CC=CS2)CC1	REAL300008120986	0	42	-1.0	-60.07	350.33	7.20	-52.87
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCC(=CC2=CC=CS2)CC1	REAL300008120987	0	37	-1.0	-50.97	323.84	4.96	-46.01
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC(=CC2=CC=CS2)CC1	REAL300008120988	0	40	-1.0	-57.28	331.09	7.81	-49.47
CC1=CC(S(=O)(=O)N2CCC(=CC3=CC=CS3)CC2)=CN=C1C(=O)[O-]	REAL300008120989	0	42	-1.0	-51.71	363.56	6.86	-44.85
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCC(=CC2=CC=CS2)CC1	REAL300008120990	0	43	-1.0	-61.73	354.85	9.30	-52.43
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCC(=CC2=CC=CS2)CC1	REAL300008120991	0	39	-1.0	-57.19	330.80	7.09	-50.10
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC2=CC=CN=C21	REAL300008120992	0	40	-1.0	-53.94	347.79	6.27	-47.67
CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC2=CC=CN=C21	REAL300008120993	0	40	-1.0	-56.33	350.25	6.31	-50.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=CC2=CC=CN=C21	REAL300008120994	0	43	-1.0	-64.40	364.41	7.08	-57.32
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=CC2=CC=CN=C21	REAL300008120995	0	44	-1.0	-59.07	364.20	6.13	-52.94
CC1=CC=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300008120996	0	43	-1.0	-57.51	369.68	6.95	-50.56
CC(NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=CC2=CC=CN=C21	REAL300008120997	0	37	-1.0	-52.76	332.19	6.07	-46.69
CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC2=CC=CN=C21	REAL300008120998	0	40	-1.0	-56.33	350.25	6.31	-50.02
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC2=CC=CN=C21	REAL300008120999	0	40	-1.0	-53.94	347.79	6.27	-47.67
CC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC2=CC=CN=C21	REAL300008121000	0	40	-1.0	-56.20	337.31	7.09	-49.11
COC1=CC=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132373	0	33	-1.0	-49.07	290.63	4.67	-44.40
CC1=C(Br)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008132374	0	34	-1.0	-49.86	319.27	6.09	-43.77
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132375	0	40	-1.0	-52.17	343.29	4.96	-47.21
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300008132376	0	40	-1.0	-56.47	346.97	1.46	-55.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008132377	0	47	-1.0	-45.17	344.51	6.12	-39.05
CC1=NC2=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300008132378	0	37	-1.0	-55.93	317.51	6.37	-49.56
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008132379	0	37	-1.0	-49.53	326.44	6.65	-42.88
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008132380	0	40	-1.0	-53.68	334.48	2.91	-50.77
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132381	0	43	-1.0	-49.54	377.48	5.90	-43.64
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132382	0	43	-1.0	-49.69	371.12	5.94	-43.75
COCCOCCOCCS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132383	0	43	-1.0	-48.57	370.13	2.07	-46.50
CC(COC1CCCC1)CS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132384	0	45	-1.0	-56.42	355.44	5.72	-50.70
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300008132385	0	44	-1.0	-49.11	377.90	6.12	-42.99
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132386	0	36	-1.0	-51.27	324.79	4.75	-46.52
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008132387	0	37	-1.0	-53.40	314.40	2.18	-51.22
COC1=CC(Br)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132388	0	33	-1.0	-51.29	307.01	4.35	-46.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008132389	0	33	-1.0	-48.24	300.38	4.93	-43.31
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300008132390	0	35	-1.0	-50.65	311.75	5.18	-45.47
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132391	0	35	-1.0	-42.74	313.21	6.39	-36.35
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132392	0	35	-1.0	-44.91	307.42	6.20	-38.71
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300008132393	0	35	-1.0	-50.11	310.68	5.92	-44.19
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCN1CCOCC1	REAL300008132394	0	41	-1.0	-43.51	335.33	1.72	-41.79
COCCN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=N1	REAL300008132395	0	36	-1.0	-53.26	315.67	2.02	-51.24
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008132396	0	36	-1.0	-57.58	320.58	4.97	-52.61
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300008132397	0	56	-1.0	-45.39	446.72	9.25	-36.14
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300008132398	0	43	-1.0	-54.26	367.44	2.36	-51.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008132399	0	37	-1.0	-45.26	335.12	6.92	-38.34
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008132400	0	34	-1.0	-54.37	296.61	4.70	-49.67
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008132401	0	32	-1.0	-45.38	306.70	6.08	-39.30
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC=C1Br	REAL300008132402	0	32	-1.0	-60.13	299.99	5.69	-54.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008132403	0	36	-1.0	-66.85	320.86	2.29	-64.56
CC1=CC(Br)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132404	0	32	-1.0	-51.88	298.92	5.71	-46.17
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132405	0	32	-1.0	-54.48	287.10	5.40	-49.08
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Br	REAL300008132406	0	33	-1.0	-50.53	306.14	4.40	-46.13
COC1=CC(OC)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300008132407	0	37	-1.0	-49.50	330.94	4.38	-45.12
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008132408	0	32	-1.0	-56.81	300.31	3.50	-53.31
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008132409	0	32	-1.0	-55.35	293.85	3.30	-52.05
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008132410	0	40	-1.0	-52.86	333.71	5.69	-47.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008132411	0	32	-1.0	-46.73	298.92	3.79	-42.94
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132412	0	40	-1.0	-49.55	341.18	3.41	-46.14
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1I	REAL300008132413	0	32	-1.0	-52.62	301.60	6.05	-46.57
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132414	0	41	-1.0	-60.17	361.19	3.45	-56.72
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132415	0	46	-1.0	-58.44	392.97	4.14	-54.30
CSC1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132416	0	33	-1.0	-50.44	293.96	5.72	-44.72
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132417	0	46	-1.0	-67.00	400.42	2.75	-64.25
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008132418	0	37	-1.0	-56.43	336.12	1.14	-55.29
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300008132419	0	43	-1.0	-52.81	397.23	2.34	-50.47
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(OC)=C1	REAL300008132420	0	44	-1.0	-54.99	379.02	2.23	-52.76
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300008132421	0	43	-1.0	-51.25	378.49	3.00	-48.25
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132422	0	43	-1.0	-57.87	376.67	2.03	-55.84
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132423	0	40	-1.0	-52.77	330.01	5.17	-47.60
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300008132424	0	43	-1.0	-54.36	377.68	2.85	-51.51
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300008132425	0	44	-1.0	-51.76	365.76	5.31	-46.45
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300008132426	0	40	-1.0	-54.55	356.19	2.06	-52.49
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008132427	0	44	-1.0	-55.37	369.97	4.87	-50.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008132428	0	41	-1.0	-52.86	342.78	4.73	-48.13
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132429	0	38	-1.0	-67.02	334.02	3.25	-63.77
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132430	0	39	-1.0	-61.72	344.93	2.12	-59.60
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Br	REAL300008132431	0	36	-1.0	-51.86	327.99	5.32	-46.54
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300008132432	0	43	-1.0	-55.17	364.35	7.49	-47.68
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008132433	0	33	-1.0	-47.88	310.71	5.38	-42.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300008132434	0	35	-1.0	-53.18	336.70	2.55	-50.63
COC1=CC=C(Br)C(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132435	0	36	-1.0	-60.65	329.71	4.93	-55.72
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008132436	0	43	-1.0	-52.22	369.24	6.38	-45.84
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132437	0	36	-1.0	-49.17	323.69	5.76	-43.41
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C21	REAL300008132438	0	41	-1.0	-54.32	346.91	5.96	-48.36
CCS(=O)(=O)NCCS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132439	0	36	-1.0	-47.92	325.50	-0.51	-48.43
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300008132440	0	35	-1.0	-50.09	309.77	5.65	-44.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008132441	0	32	-1.0	-45.37	317.57	6.64	-38.73
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC(Cl)=CC=C2S1	REAL300008132442	0	35	-1.0	-44.07	323.68	7.43	-36.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008132443	0	32	-1.0	-45.96	307.64	6.36	-39.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008132444	0	35	-1.0	-50.02	315.73	7.48	-42.54
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008132445	0	35	-1.0	-58.63	318.50	6.02	-52.61
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008132446	0	40	-1.0	-57.00	335.78	5.70	-51.30
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008132447	0	43	-1.0	-48.20	369.70	8.11	-40.09
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008132448	0	42	-1.0	-61.20	364.92	5.80	-55.40
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008132449	0	40	-1.0	-47.39	361.65	1.81	-45.58
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC(C)=C2S1	REAL300008132450	0	38	-1.0	-50.19	326.80	7.58	-42.61
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1N(C)C	REAL300008132451	0	40	-1.0	-53.37	330.83	5.09	-48.28
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008132452	0	35	-1.0	-44.30	323.06	6.69	-37.61
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008132453	0	34	-1.0	-52.36	296.30	1.70	-50.66
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCOCC1CCCC1	REAL300008132454	0	42	-1.0	-45.05	346.39	5.21	-39.84
COC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300008132455	0	36	-1.0	-48.29	319.61	5.23	-43.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008132456	0	38	-1.0	-55.03	346.10	2.98	-52.05
CSC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300008132457	0	33	-1.0	-51.82	311.47	5.88	-45.94
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132458	0	41	-1.0	-51.66	336.05	5.12	-46.54
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008132459	0	37	-1.0	-51.57	326.60	2.91	-48.66
CCC1=NOC2=NC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C12	REAL300008132460	0	36	-1.0	-50.59	316.70	2.10	-48.49
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008132461	0	40	-1.0	-50.49	352.82	4.22	-46.27
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008132462	0	34	-1.0	-52.55	299.82	3.50	-49.05
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008132463	0	35	-1.0	-52.16	323.52	7.31	-44.85
CCC1=CC(CC)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(CC)=C1	REAL300008132464	0	47	-1.0	-44.32	348.04	8.23	-36.09
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132465	1	44	-1.0	-45.50	377.81	1.77	-43.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008132466	0	35	-1.0	-50.62	324.89	2.49	-48.13
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008132467	0	38	-1.0	-54.64	327.77	8.29	-46.35
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1F	REAL300008132468	0	36	-1.0	-45.82	303.18	4.55	-41.27
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008132469	0	38	-1.0	-59.62	312.76	6.21	-53.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008132471	0	37	-1.0	-50.85	325.72	5.66	-45.19
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132472	0	36	-1.0	-52.54	328.05	4.66	-47.88
CC1=CC=C(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300008132473	0	35	-1.0	-63.05	310.24	5.85	-57.20
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008132475	0	29	-1.0	-40.54	293.06	4.92	-35.62
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008132476	0	42	-1.0	-44.33	350.41	8.05	-36.28
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008132477	0	40	-1.0	-63.10	341.64	5.16	-57.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008132478	0	38	-1.0	-51.53	322.98	1.93	-49.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008132479	0	32	-1.0	-50.50	292.05	4.90	-45.60
CC1=C(CCS(=O)(=O)N(C)C2(C(=O)[O-])CC2)SC=N1	REAL300008132480	0	34	-1.0	-45.39	310.89	3.99	-41.40
COC1=CC=C2C=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)CCC2=C1	REAL300008132481	0	41	-1.0	-56.93	344.08	6.03	-50.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC12CCC(CC1)CC2	REAL300008132482	0	42	-1.0	-44.26	319.09	6.75	-37.51
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008132483	0	40	-1.0	-54.41	334.89	1.86	-52.55
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1CCCCC1(F)F	REAL300008132484	0	38	-1.0	-56.80	312.01	5.63	-51.17
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C12	REAL300008132485	0	44	-1.0	-53.98	379.67	7.67	-46.31
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C12	REAL300008132486	0	48	-1.0	-52.21	397.76	5.19	-47.02
CCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008132487	0	37	-1.0	-55.52	318.76	6.26	-49.26
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008132488	0	29	-1.0	-53.49	278.81	4.86	-48.63
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008132489	0	31	-1.0	-52.51	285.73	4.91	-47.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008132490	0	35	-1.0	-54.53	302.20	6.71	-47.82
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008132491	0	31	-1.0	-53.80	284.46	5.10	-48.70
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132492	0	34	-1.0	-47.33	296.91	5.87	-41.46
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008132493	0	31	-1.0	-51.23	277.68	6.20	-45.03
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132494	0	36	-1.0	-48.17	326.89	6.13	-42.04
CC1=CC(C)=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300008132495	0	41	-1.0	-50.02	306.28	7.33	-42.69
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132496	0	44	-1.0	-47.34	344.89	7.53	-39.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008132497	0	32	-1.0	-53.07	292.89	5.40	-47.67
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008132498	0	32	-1.0	-44.55	284.56	5.98	-38.57
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008132499	0	35	-1.0	-57.02	311.73	5.17	-51.85
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300008132500	0	41	-1.0	-56.05	333.72	6.56	-49.49
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132501	0	46	-1.0	-57.48	394.28	3.95	-53.53
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132502	0	40	-1.0	-57.94	353.09	2.24	-55.70
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Br	REAL300008132503	0	33	-1.0	-52.37	306.17	4.38	-47.99
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300008132504	0	35	-1.0	-48.67	333.26	6.40	-42.27
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Br	REAL300008132505	0	32	-1.0	-50.65	295.76	5.60	-45.05
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)=C1	REAL300008132506	0	43	-1.0	-55.05	367.62	7.76	-47.29
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008132507	0	33	-1.0	-53.60	303.49	4.03	-49.57
CC1=C(C)C(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1C	REAL300008132508	0	44	-1.0	-48.73	331.22	7.64	-41.09
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008132509	0	38	-1.0	-53.04	319.05	4.37	-48.67
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132510	0	45	-1.0	-51.10	360.40	6.92	-44.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300008132511	0	36	-1.0	-54.71	331.56	6.81	-47.90
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008132512	0	34	-1.0	-53.72	300.80	5.63	-48.09
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132513	0	33	-1.0	-48.30	305.53	5.22	-43.08
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132514	0	47	-1.0	-46.83	356.73	8.27	-38.56
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008132515	0	32	-1.0	-44.09	301.98	5.62	-38.47
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008132516	0	39	-1.0	-53.46	318.80	6.82	-46.64
COC1=CC=C(OC)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132517	0	37	-1.0	-52.53	313.70	3.88	-48.65
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OC	REAL300008132518	0	37	-1.0	-53.83	314.99	3.61	-50.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008132519	0	37	-1.0	-56.78	314.60	6.73	-50.05
CC(C)CCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132520	0	44	-1.0	-56.44	360.98	7.74	-48.70
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OCC	REAL300008132521	0	43	-1.0	-53.26	358.70	5.46	-47.80
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008132522	0	34	-1.0	-59.56	311.70	-0.80	-60.36
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300008132523	0	37	-1.0	-55.32	321.44	6.19	-49.13
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300008132524	0	37	-1.0	-51.54	319.42	6.61	-44.93
CC1=CC2=CC=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=C2N=C1	REAL300008132525	0	37	-1.0	-54.24	319.21	6.30	-47.94
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300008132526	0	35	-1.0	-47.78	307.07	5.50	-42.28
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132527	0	33	-1.0	-46.25	300.96	5.12	-41.13
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008132528	0	34	-1.0	-64.72	306.04	-0.21	-64.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008132529	0	41	-1.0	-61.72	360.96	2.68	-59.04
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132530	0	37	-1.0	-48.04	329.04	6.26	-41.78
CN(C1(C(=O)[O-])CC1)S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008132531	0	38	-1.0	-53.80	313.15	5.74	-48.06
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CN=C12	REAL300008132532	0	37	-1.0	-50.96	310.26	5.62	-45.34
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300008132533	0	37	-1.0	-51.32	316.52	7.43	-43.89
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132534	0	40	-1.0	-58.37	351.76	2.41	-55.96
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008132535	0	41	-1.0	-63.43	343.18	3.72	-59.71
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008132536	0	35	-1.0	-67.12	312.52	2.35	-64.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008132537	0	39	-1.0	-51.26	330.48	8.44	-42.82
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008132538	0	35	-1.0	-51.33	294.07	6.66	-44.67
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008132539	0	39	-1.0	-57.07	331.68	7.65	-49.42
CN(C)C1=CC=CC2=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=CC=C12	REAL300008132540	0	43	-1.0	-49.28	352.46	6.82	-42.46
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008132541	0	30	-1.0	-49.25	282.47	3.19	-46.06
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132542	0	33	-1.0	-48.35	300.96	5.12	-43.23
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132543	0	44	-1.0	-56.00	347.95	7.03	-48.97
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300008132544	0	32	-1.0	-52.68	291.72	5.52	-47.16
CC(C)OC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132545	0	39	-1.0	-55.51	326.77	5.08	-50.43
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008132546	0	32	-1.0	-45.48	302.13	5.98	-39.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008132547	0	34	-1.0	-43.42	316.49	7.21	-36.21
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008132548	0	34	-1.0	-55.12	296.38	5.67	-49.45
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008132549	0	40	-1.0	-55.81	363.20	7.66	-48.15
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132550	0	35	-1.0	-44.56	312.45	5.27	-39.29
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300008132551	0	33	-1.0	-52.71	291.98	3.78	-48.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008132552	0	40	-1.0	-47.26	368.88	7.98	-39.28
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300008132553	0	44	-1.0	-48.04	381.44	6.76	-41.28
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C(C)C)=C1	REAL300008132554	0	56	-1.0	-46.38	410.60	10.27	-36.11
CC(C)OC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300008132555	0	45	-1.0	-51.65	362.17	7.58	-44.07
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008132556	0	32	-1.0	-59.25	315.44	6.11	-53.14
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300008132557	0	39	-1.0	-51.67	322.39	6.02	-45.65
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C1(C)NC(=O)NC1=O	REAL300008132558	0	45	-1.0	-58.27	375.89	2.09	-56.18
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132559	0	34	-1.0	-41.89	296.99	5.88	-36.01
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132560	0	34	-1.0	-52.71	289.42	5.32	-47.39
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132561	0	37	-1.0	-51.51	319.11	6.98	-44.53
CC(C)CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132562	0	41	-1.0	-56.51	338.68	6.92	-49.59
COCCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132563	0	39	-1.0	-56.75	334.09	4.75	-52.00
COCCN(CCOC)S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132564	0	41	-1.0	-43.71	332.23	1.85	-41.86
CC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132565	0	32	-1.0	-46.44	290.86	5.89	-40.55
COC1=C(C)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300008132566	0	39	-1.0	-46.30	333.23	5.51	-40.79
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132567	0	45	-1.0	-55.17	369.42	6.56	-48.61
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008132568	0	43	-1.0	-55.66	351.54	6.43	-49.23
CC(C)COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132569	0	42	-1.0	-55.32	350.46	5.96	-49.36
CCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132570	0	39	-1.0	-52.69	329.06	5.45	-47.24
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300008132571	0	33	-1.0	-52.37	301.78	4.27	-48.10
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008132572	0	33	-1.0	-52.25	311.51	4.56	-47.69
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1OC(C)C	REAL300008132573	0	42	-1.0	-52.63	345.58	6.01	-46.62
COCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132574	0	40	-1.0	-57.88	342.49	3.73	-54.15
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132575	0	32	-1.0	-42.76	290.05	5.83	-36.93
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300008132576	0	37	-1.0	-58.95	305.87	7.56	-51.39
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132577	0	38	-1.0	-58.23	329.38	2.73	-55.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008132578	0	41	-1.0	-51.64	372.26	2.47	-49.17
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132579	0	37	-1.0	-58.59	334.13	0.41	-58.18
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132580	0	37	-1.0	-52.95	308.93	3.02	-49.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008132581	0	32	-1.0	-47.05	288.83	5.74	-41.31
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1F	REAL300008132582	0	33	-1.0	-50.90	291.94	3.80	-47.10
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008132583	0	39	-1.0	-55.48	328.39	7.83	-47.65
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008132584	0	32	-1.0	-41.65	318.88	6.48	-35.17
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)S2)=CS1	REAL300008132585	0	35	-1.0	-49.26	339.94	5.29	-43.97
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008132586	0	49	-1.0	-55.15	392.08	7.85	-47.30
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132587	0	37	-1.0	-55.62	317.29	6.45	-49.17
CNC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN1C	REAL300008132588	0	37	-1.0	-56.48	321.54	2.02	-54.46
COC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1	REAL300008132589	0	39	-1.0	-47.49	309.94	5.24	-42.25
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008132590	0	40	-1.0	-54.04	340.43	8.55	-45.49
COC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300008132591	0	39	-1.0	-47.89	323.65	5.42	-42.47
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300008132592	0	37	-1.0	-56.34	302.26	5.07	-51.27
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008132593	0	34	-1.0	-49.04	292.56	5.02	-44.02
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300008132594	0	42	-1.0	-57.15	356.07	8.26	-48.89
CCN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300008132595	0	34	-1.0	-46.11	312.07	5.38	-40.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008132596	0	36	-1.0	-57.08	328.42	4.92	-52.16
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008132597	0	43	-1.0	-54.15	367.47	7.71	-46.44
CCC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132598	0	37	-1.0	-62.39	317.25	5.68	-56.71
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008132599	0	39	-1.0	-55.23	343.30	5.93	-49.30
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132600	0	51	-1.0	-45.05	390.82	7.44	-37.61
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300008132601	0	37	-1.0	-62.88	331.07	0.94	-61.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300008132602	0	44	-1.0	-65.71	373.94	3.97	-61.74
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300008132603	0	42	-1.0	-50.38	349.20	7.24	-43.14
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132604	0	39	-1.0	-50.41	327.01	6.17	-44.24
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008132605	0	34	-1.0	-65.92	302.44	4.58	-61.34
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008132606	0	36	-1.0	-54.06	317.88	5.49	-48.57
CCOCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132607	0	43	-1.0	-57.76	364.34	4.70	-53.06
CCCCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132608	0	45	-1.0	-55.26	373.36	6.82	-48.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008132609	0	39	-1.0	-54.98	301.58	7.24	-47.74
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008132610	0	35	-1.0	-59.81	308.13	6.24	-53.57
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008132611	0	33	-1.0	-54.20	313.88	5.70	-48.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008132612	0	37	-1.0	-67.80	323.71	5.63	-62.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008132613	0	35	-1.0	-64.45	297.19	0.80	-63.65
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008132614	0	34	-1.0	-45.68	311.51	4.80	-40.88
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1	REAL300008132615	0	39	-1.0	-45.92	325.45	5.60	-40.32
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132616	0	37	-1.0	-63.71	328.45	1.00	-62.71
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008132617	0	33	-1.0	-49.89	293.99	4.86	-45.03
CSC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132618	0	33	-1.0	-55.51	297.71	5.26	-50.25
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008132619	0	35	-1.0	-46.10	324.14	6.46	-39.64
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132620	0	40	-1.0	-45.06	327.06	6.46	-38.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008132621	0	35	-1.0	-50.17	300.70	4.36	-45.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008132622	0	34	-1.0	-49.27	292.48	4.89	-44.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008132623	0	41	-1.0	-56.01	349.26	6.44	-49.57
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300008132624	0	35	-1.0	-53.10	310.68	5.94	-47.16
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008132625	0	35	-1.0	-55.08	329.69	5.63	-49.45
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008132626	0	38	-1.0	-54.86	319.00	6.01	-48.85
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C12	REAL300008132627	0	37	-1.0	-51.88	322.57	4.15	-47.73
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132628	0	36	-1.0	-57.25	323.28	4.96	-52.29
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300008132629	0	40	-1.0	-52.05	335.34	6.04	-46.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300008132630	0	32	-1.0	-60.77	296.99	5.58	-55.19
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300008132631	0	41	-1.0	-70.83	354.10	2.74	-68.09
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008132632	0	36	-1.0	-43.03	331.42	5.26	-37.77
COC1=CC(OC)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Br	REAL300008132633	0	37	-1.0	-49.55	335.32	4.49	-45.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300008132634	0	42	-1.0	-57.31	378.55	6.46	-50.85
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008132635	0	37	-1.0	-51.05	322.06	5.36	-45.69
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008132636	0	32	-1.0	-48.05	312.45	6.36	-41.69
CC1CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C2O1	REAL300008132637	0	37	-1.0	-52.78	313.32	5.04	-47.74
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132638	0	41	-1.0	-44.57	314.29	7.25	-37.32
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132639	0	41	-1.0	-60.49	330.42	3.31	-57.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008132640	0	40	-1.0	-55.83	362.93	7.60	-48.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008132641	0	35	-1.0	-54.33	321.95	5.12	-49.21
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008132642	0	35	-1.0	-54.79	340.00	6.09	-48.70
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)=CO1	REAL300008132643	0	38	-1.0	-54.34	338.32	3.77	-50.57
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008132644	0	32	-1.0	-46.94	290.01	3.17	-43.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008132645	0	37	-1.0	-53.39	309.77	4.96	-48.43
CC1=CC=C(N2C=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=N2)C=C1	REAL300008132646	0	39	-1.0	-53.30	337.89	6.19	-47.11
CC1CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC(Cl)=C2O1	REAL300008132647	0	37	-1.0	-53.14	327.47	5.82	-47.32
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300008132648	0	34	-1.0	-49.67	300.24	5.60	-44.07
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=N1	REAL300008132649	0	40	-1.0	-57.99	344.99	5.10	-52.89
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008132650	0	31	-1.0	-52.08	287.44	3.87	-48.21
CC1=CC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2C=C1	REAL300008132651	0	38	-1.0	-54.00	323.62	7.36	-46.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008132652	0	34	-1.0	-47.58	310.12	4.72	-42.86
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008132653	0	35	-1.0	-43.40	323.63	6.77	-36.63
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300008132654	0	41	-1.0	-54.71	330.37	4.98	-49.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008132655	0	31	-1.0	-50.24	290.96	3.66	-46.58
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132656	0	37	-1.0	-52.77	315.15	5.18	-47.59
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132657	0	37	-1.0	-41.47	317.84	6.57	-34.90
CC1=CC=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300008132658	0	37	-1.0	-55.83	312.00	7.83	-48.00
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008132659	0	37	-1.0	-55.15	323.58	6.59	-48.56
COC1=CC=C(CCS(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132660	0	39	-1.0	-45.45	336.41	5.55	-39.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300008132661	0	38	-1.0	-46.01	333.49	6.37	-39.64
COC1=CC(OC)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132662	0	37	-1.0	-54.98	314.45	2.98	-52.00
CC1=CC2=C(C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1)OCO2	REAL300008132663	0	35	-1.0	-48.27	293.16	3.86	-44.41
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Cl	REAL300008132664	0	33	-1.0	-50.70	301.74	4.29	-46.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300008132665	0	35	-1.0	-59.13	304.56	5.78	-53.35
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300008132666	0	37	-1.0	-52.89	309.67	6.14	-46.75
CC1=NC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2O1	REAL300008132667	0	34	-1.0	-53.19	299.82	2.09	-51.10
CCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1CC	REAL300008132668	0	41	-1.0	-53.65	333.31	6.98	-46.67
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132669	0	37	-1.0	-42.41	308.74	6.61	-35.80
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132670	0	39	-1.0	-48.66	317.20	6.17	-42.49
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300008132671	0	30	-1.0	-39.83	275.89	2.75	-37.08
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008132672	0	35	-1.0	-52.80	307.57	6.63	-46.17
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC(C)=C1F	REAL300008132673	0	35	-1.0	-44.64	307.51	6.06	-38.58
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008132674	0	36	-1.0	-57.29	312.19	4.17	-53.12
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008132675	0	42	-1.0	-44.41	362.43	6.31	-38.10
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300008132676	0	33	-1.0	-51.36	292.99	4.58	-46.78
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008132677	0	31	-1.0	-51.94	289.25	4.34	-47.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008132678	0	32	-1.0	-42.80	302.15	5.99	-36.81
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Cl	REAL300008132679	0	32	-1.0	-50.73	291.72	5.51	-45.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008132680	0	35	-1.0	-61.26	304.33	5.41	-55.85
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)=N1	REAL300008132681	0	38	-1.0	-51.11	349.48	6.09	-45.02
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008132682	0	37	-1.0	-50.35	309.64	5.97	-44.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008132683	0	36	-1.0	-60.69	321.35	2.30	-58.39
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008132684	0	38	-1.0	-57.46	320.07	4.79	-52.67
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008132685	0	32	-1.0	-59.22	303.67	5.59	-53.63
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132686	0	54	-1.0	-55.17	437.85	9.17	-46.00
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132687	0	39	-1.0	-47.85	348.39	6.93	-40.92
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132688	0	42	-1.0	-54.68	347.04	6.07	-48.61
COC(CS(=O)(=O)N(C)C1(C(=O)[O-])CC1)C1CCCC1	REAL300008132689	0	42	-1.0	-44.56	335.58	4.85	-39.71
COC(CS(=O)(=O)N(C)C1(C(=O)[O-])CC1)C1CCCCC1	REAL300008132690	0	45	-1.0	-44.35	353.34	5.76	-38.59
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008132691	0	43	-1.0	-53.60	373.70	7.78	-45.82
CCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(C)C	REAL300008132692	0	48	-1.0	-52.18	387.67	7.48	-44.70
CCC1=NC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN1CC1CC1	REAL300008132693	0	42	-1.0	-58.21	354.62	6.34	-51.87
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008132694	0	32	-1.0	-54.07	297.94	3.77	-50.30
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300008132695	0	37	-1.0	-42.16	322.62	6.93	-35.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008132696	0	42	-1.0	-47.95	364.76	6.99	-40.96
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300008132697	0	32	-1.0	-45.26	300.86	3.38	-41.88
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008132698	0	40	-1.0	-54.20	357.72	8.47	-45.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008132699	0	39	-1.0	-53.22	317.52	7.67	-45.55
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC(C)=C1OCC1=CC=CC=C1	REAL300008132700	0	49	-1.0	-49.27	415.82	9.62	-39.65
CCC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(C)C=C1OC	REAL300008132701	0	42	-1.0	-47.20	339.93	5.98	-41.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008132702	0	35	-1.0	-50.24	327.44	6.30	-43.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008132703	0	31	-1.0	-58.98	274.99	3.13	-55.85
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300008132704	0	38	-1.0	-51.75	308.54	7.59	-44.16
CC(C)OC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=N1	REAL300008132705	0	38	-1.0	-50.59	325.41	2.99	-47.60
COC1=C(F)C=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132706	0	33	-1.0	-55.00	292.89	4.54	-50.46
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(C)C	REAL300008132707	0	45	-1.0	-52.63	366.18	6.68	-45.95
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300008132708	0	41	-1.0	-52.23	334.48	6.66	-45.57
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008132709	0	48	-1.0	-44.98	387.25	9.28	-35.70
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300008132710	0	39	-1.0	-49.51	315.55	4.25	-45.26
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300008132711	0	41	-1.0	-45.68	332.44	5.00	-40.68
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008132712	0	39	-1.0	-52.39	323.39	4.75	-47.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300008132713	0	32	-1.0	-41.73	288.01	3.40	-38.33
COC1=CC=C(F)C=C1CS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132714	0	36	-1.0	-57.64	312.96	4.52	-53.12
C=CCCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132715	0	39	-1.0	-56.54	334.72	7.02	-49.52
CCCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(C)C	REAL300008132716	0	51	-1.0	-52.61	409.17	8.27	-44.34
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008132717	0	33	-1.0	-45.61	310.54	6.41	-39.20
CCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(C)(C)C	REAL300008132718	0	51	-1.0	-52.79	400.23	8.16	-44.63
CCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1CC	REAL300008132719	0	45	-1.0	-52.43	370.75	6.94	-45.49
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132720	0	35	-1.0	-43.21	297.22	6.46	-36.75
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132721	0	35	-1.0	-59.24	320.47	6.35	-52.89
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008132722	0	33	-1.0	-57.10	307.26	6.06	-51.04
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132723	0	45	-1.0	-46.76	377.25	7.59	-39.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008132724	0	34	-1.0	-49.47	292.49	4.98	-44.49
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300008132725	0	44	-1.0	-47.39	392.12	8.49	-38.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008132726	0	39	-1.0	-46.05	327.79	5.15	-40.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300008132727	0	40	-1.0	-51.83	334.34	2.79	-49.04
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008132728	0	35	-1.0	-49.83	327.33	5.63	-44.20
CCCCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(C)C	REAL300008132729	0	54	-1.0	-52.20	430.67	9.04	-43.16
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300008132730	0	45	-1.0	-47.65	353.82	6.33	-41.32
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132731	0	39	-1.0	-49.12	330.41	6.20	-42.92
CCOCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(C)C	REAL300008132732	0	52	-1.0	-54.37	421.66	6.90	-47.47
CC1CC2=CC=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=C2O1	REAL300008132733	0	37	-1.0	-50.65	315.00	5.42	-45.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300008132734	0	37	-1.0	-47.81	329.16	4.39	-43.42
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008132735	0	35	-1.0	-50.15	313.40	5.22	-44.93
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132736	0	34	-1.0	-57.99	302.34	4.32	-53.67
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300008132737	0	33	-1.0	-46.45	313.12	5.12	-41.33
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008132738	0	32	-1.0	-48.47	299.32	6.15	-42.32
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1F	REAL300008132739	0	38	-1.0	-56.61	300.57	7.00	-49.61
COC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1OC	REAL300008132740	0	37	-1.0	-50.30	314.73	4.56	-45.74
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300008132741	0	42	-1.0	-48.68	344.24	5.51	-43.17
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132742	0	41	-1.0	-46.70	338.34	5.29	-41.41
CCCCN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=N1	REAL300008132743	0	41	-1.0	-47.90	343.12	5.27	-42.63
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008132744	0	33	-1.0	-57.85	296.75	3.82	-54.03
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300008132745	0	34	-1.0	-55.53	303.44	3.17	-52.36
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Br	REAL300008132746	0	35	-1.0	-50.84	293.50	6.25	-44.59
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008132747	0	35	-1.0	-42.37	330.17	5.84	-36.53
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300008132748	0	39	-1.0	-56.08	328.50	4.55	-51.53
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132749	0	47	-1.0	-49.57	372.68	8.53	-41.04
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008132750	0	35	-1.0	-52.11	327.45	6.30	-45.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008132751	0	39	-1.0	-54.15	331.29	5.01	-49.14
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008132752	0	33	-1.0	-45.49	295.39	5.63	-39.86
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008132753	0	40	-1.0	-48.33	352.66	7.55	-40.78
COC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300008132754	0	38	-1.0	-58.57	325.81	5.83	-52.74
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300008132755	0	38	-1.0	-46.15	304.27	4.35	-41.80
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300008132756	0	38	-1.0	-53.34	320.43	4.12	-49.22
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN=C1C(F)(F)F	REAL300008132757	0	34	-1.0	-49.90	304.11	4.48	-45.42
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008132758	0	32	-1.0	-48.69	301.69	5.51	-43.18
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132759	0	40	-1.0	-62.10	338.75	6.44	-55.66
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008132760	0	40	-1.0	-54.49	324.36	7.51	-46.98
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008132761	0	35	-1.0	-51.94	317.97	5.50	-46.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=NOC2=C1COCC2	REAL300008132762	0	36	-1.0	-52.63	315.95	3.02	-49.61
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132763	0	39	-1.0	-53.95	353.72	5.01	-48.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008132764	0	29	-1.0	-43.27	281.26	4.78	-38.49
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008132765	0	39	-1.0	-46.78	325.37	5.28	-41.50
CCC(C)N1N=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132766	0	38	-1.0	-45.75	323.04	4.58	-41.17
CN(C1CCCCCC1)S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132767	0	43	-1.0	-42.73	328.72	5.56	-37.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300008132768	0	43	-1.0	-47.66	352.02	3.68	-43.98
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300008132769	0	35	-1.0	-53.24	309.46	5.96	-47.28
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008132770	0	33	-1.0	-53.74	295.49	4.01	-49.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008132771	0	44	-1.0	-46.51	352.57	7.18	-39.33
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300008132772	0	40	-1.0	-58.72	315.68	7.90	-50.82
CN(C1(C(=O)[O-])CC1)S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008132773	0	37	-1.0	-45.26	312.70	4.65	-40.61
CCOCC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132774	0	39	-1.0	-55.09	333.16	5.12	-49.97
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008132775	0	32	-1.0	-49.47	321.20	6.71	-42.76
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300008132776	0	39	-1.0	-50.84	339.13	5.98	-44.86
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008132777	0	42	-1.0	-52.66	343.71	5.33	-47.33
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008132778	0	40	-1.0	-52.25	345.90	7.33	-44.92
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC(C)=C1Br	REAL300008132779	0	35	-1.0	-45.11	318.17	6.47	-38.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008132780	0	32	-1.0	-49.47	321.20	6.71	-42.76
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300008132781	0	38	-1.0	-52.37	311.74	7.20	-45.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300008132782	0	39	-1.0	-48.90	338.48	5.76	-43.14
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008132783	0	33	-1.0	-45.49	315.10	6.51	-38.98
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008132784	0	33	-1.0	-46.81	315.10	6.52	-40.29
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1NC(=O)NC1=O	REAL300008132785	0	34	-1.0	-69.03	303.88	-1.74	-70.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008132786	0	31	-1.0	-54.15	287.18	3.82	-50.33
CC1=NC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300008132787	0	38	-1.0	-66.43	326.93	3.50	-62.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008132788	0	46	-1.0	-61.46	336.76	7.31	-54.15
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCCS(C)(=O)=O	REAL300008132789	0	37	-1.0	-55.71	332.13	1.56	-54.15
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1CCC(C)(C)CO1	REAL300008132790	0	42	-1.0	-62.75	334.48	4.54	-58.21
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008132791	0	33	-1.0	-66.10	307.74	3.47	-62.63
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008132792	0	39	-1.0	-57.54	338.34	7.27	-50.27
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008132793	0	38	-1.0	-65.24	313.78	1.85	-63.39
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008132794	0	42	-1.0	-44.36	329.52	6.76	-37.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008132795	0	33	-1.0	-56.07	301.66	5.61	-50.46
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300008132796	0	51	-1.0	-53.50	385.94	8.62	-44.88
COC1=CC=C(C=C(C)S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132797	0	40	-1.0	-47.74	335.03	5.69	-42.05
COC1=CSC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1OC	REAL300008132798	0	34	-1.0	-51.62	310.33	3.44	-48.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008132799	0	41	-1.0	-55.91	317.04	5.15	-50.76
CN(CCC1=CC=CC=C1)S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132800	0	40	-1.0	-59.90	341.34	6.27	-53.63
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008132801	0	33	-1.0	-61.30	309.75	5.31	-55.99
COC1=CC(F)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300008132802	0	33	-1.0	-47.49	299.56	4.28	-43.21
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008132803	0	33	-1.0	-53.49	301.69	4.07	-49.42
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300008132804	0	35	-1.0	-49.37	303.32	4.53	-44.84
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300008132805	0	36	-1.0	-57.05	309.14	6.15	-50.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008132806	0	38	-1.0	-51.50	335.07	4.92	-46.58
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132807	0	42	-1.0	-53.18	353.23	7.13	-46.05
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008132808	0	40	-1.0	-54.87	346.69	7.25	-47.62
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300008132809	0	35	-1.0	-53.13	297.60	6.32	-46.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008132810	0	30	-1.0	-46.63	299.20	3.67	-42.96
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132811	0	40	-1.0	-54.78	339.90	6.05	-48.73
CCN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300008132812	0	39	-1.0	-53.26	322.23	5.42	-47.84
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=NSN=C2C=C1	REAL300008132813	0	33	-1.0	-46.11	293.23	3.73	-42.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008132814	0	35	-1.0	-52.27	318.96	7.21	-45.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008132815	0	39	-1.0	-51.70	347.13	8.36	-43.34
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008132816	0	28	-1.0	-51.88	283.08	2.45	-49.43
CCC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Br	REAL300008132817	0	35	-1.0	-50.39	315.29	6.29	-44.10
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132818	0	42	-1.0	-47.99	350.19	5.71	-42.28
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132819	0	43	-1.0	-51.07	360.80	5.10	-45.97
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008132820	0	35	-1.0	-48.99	311.23	7.22	-41.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C2COCCC2=NN1C	REAL300008132821	0	37	-1.0	-54.91	308.86	2.04	-52.87
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300008132822	0	35	-1.0	-52.44	321.10	4.24	-48.20
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008132823	0	44	-1.0	-56.72	359.40	4.62	-52.10
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132824	0	32	-1.0	-45.41	300.56	2.48	-42.93
COC1=NC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300008132825	0	35	-1.0	-50.98	301.13	2.11	-48.87
CC(C)CN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=N1	REAL300008132826	0	38	-1.0	-53.61	323.31	4.50	-49.11
CC1=NN(C(C)C)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132827	0	38	-1.0	-48.98	318.80	4.25	-44.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008132828	0	39	-1.0	-47.45	317.96	2.03	-45.42
COCC1=CC(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)=NO1	REAL300008132829	0	35	-1.0	-52.82	317.35	2.54	-50.28
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008132830	0	34	-1.0	-46.76	312.84	6.65	-40.11
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300008132831	0	40	-1.0	-53.39	333.83	4.75	-48.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008132832	0	36	-1.0	-50.22	316.88	5.72	-44.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008132833	0	31	-1.0	-53.69	289.64	3.28	-50.41
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=NN1C(C)C	REAL300008132834	0	38	-1.0	-51.30	325.95	4.39	-46.91
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300008132835	0	43	-1.0	-55.23	366.32	7.80	-47.43
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008132836	0	34	-1.0	-59.16	289.37	5.23	-53.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)N1CC=C(Br)CC1	REAL300008132837	0	32	-1.0	-42.49	294.59	4.32	-38.17
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132838	0	37	-1.0	-50.45	319.26	0.55	-49.90
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C(F)F)=C1	REAL300008132839	0	36	-1.0	-45.77	311.85	5.04	-40.73
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132840	0	35	-1.0	-45.05	322.69	2.93	-42.12
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008132841	0	34	-1.0	-50.30	289.63	4.76	-45.54
CCOC1=CC=CN=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132842	0	35	-1.0	-61.19	299.68	3.89	-57.30
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300008132843	0	37	-1.0	-56.02	314.23	6.19	-49.83
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008132844	0	31	-1.0	-60.88	288.46	3.90	-56.98
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008132845	0	36	-1.0	-45.89	330.46	5.51	-40.38
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300008132846	0	42	-1.0	-50.76	345.43	6.80	-43.96
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1	REAL300008132847	0	35	-1.0	-50.79	305.71	5.87	-44.92
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132848	0	35	-1.0	-53.49	306.37	5.87	-47.62
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132849	0	38	-1.0	-60.99	309.97	6.15	-54.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132850	0	39	-1.0	-55.66	328.09	5.67	-49.99
CC1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1C(=O)[O-]	REAL300008132851	0	38	-1.0	-55.63	322.28	6.36	-49.27
O=C([O-])C1=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=CS1	REAL300008132852	0	32	-1.0	-63.95	285.97	5.38	-58.57
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132853	0	35	-1.0	-53.49	306.37	5.87	-47.62
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1	REAL300008132854	0	35	-1.0	-50.79	305.71	5.87	-44.92
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132855	0	35	-1.0	-69.70	290.91	6.73	-62.97
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=CN1	REAL300008132856	0	33	-1.0	-50.39	294.44	3.54	-46.85
O=C([O-])CN1C=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=N1	REAL300008132857	0	35	-1.0	-52.27	310.80	3.97	-48.30
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)S1	REAL300008132858	0	32	-1.0	-52.12	299.05	4.96	-47.16
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132859	0	32	-1.0	-60.99	283.60	2.78	-58.21
O=C([O-])C1CCCN(S(=O)(=O)N2CCCC(C(F)F)C2)C1	REAL300008132860	0	40	-1.0	-51.00	324.09	5.00	-46.00
O=C([O-])C1CCN(S(=O)(=O)N2CCCC(C(F)F)C2)CC1	REAL300008132861	0	40	-1.0	-47.30	319.89	4.83	-42.47
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132862	0	35	-1.0	-69.70	290.91	6.73	-62.97
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132863	0	35	-1.0	-60.79	307.89	7.29	-53.50
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)O1	REAL300008132864	0	32	-1.0	-55.75	291.56	4.20	-51.55
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC(C(F)F)C2)O1	REAL300008132865	0	35	-1.0	-51.35	309.24	4.67	-46.68
O=C([O-])C1CCCN1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132866	0	37	-1.0	-61.41	308.07	4.68	-56.73
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCC(C(F)F)C2)C=C1	REAL300008132867	0	38	-1.0	-58.17	329.50	6.58	-51.59
O=C([O-])C1CCN(S(=O)(=O)N2CCCC(C(F)F)C2)CC1	REAL300008132868	0	40	-1.0	-47.30	319.89	4.83	-42.47
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132869	0	38	-1.0	-59.24	328.97	6.56	-52.68
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)O1	REAL300008132870	0	32	-1.0	-55.75	291.56	4.20	-51.55
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1	REAL300008132871	0	39	-1.0	-50.06	336.80	6.15	-43.91
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132872	0	39	-1.0	-45.94	340.63	6.81	-39.13
O=C([O-])C1=CSC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132873	0	32	-1.0	-51.53	299.54	4.90	-46.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1C	REAL300008132874	0	41	-1.0	-61.33	327.55	6.68	-54.65
CC1=CC=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1C(=O)[O-]	REAL300008132875	0	38	-1.0	-71.36	317.57	6.69	-64.67
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132876	0	42	-1.0	-54.44	360.74	5.54	-48.90
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=CS1	REAL300008132877	0	32	-1.0	-51.96	298.02	4.90	-47.06
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132878	0	38	-1.0	-58.18	330.20	7.78	-50.40
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132879	0	38	-1.0	-48.58	304.32	5.97	-42.61
O=C([O-])C1=C(S(=O)(=O)N2CCCC(C(F)F)C2)C2=CC=CC=C2S1	REAL300008132880	0	38	-1.0	-54.98	328.03	7.83	-47.15
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1	REAL300008132881	0	38	-1.0	-50.93	327.89	6.65	-44.28
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1[N+](=O)[O-]	REAL300008132882	0	40	-1.0	-43.00	343.91	6.85	-36.15
O=C([O-])C1=COC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132883	0	32	-1.0	-52.67	291.80	3.95	-48.72
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132884	0	38	-1.0	-53.79	328.54	6.65	-47.14
CC1=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C(C(=O)[O-])O1	REAL300008132885	0	35	-1.0	-54.68	299.32	4.62	-50.06
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132886	0	34	-1.0	-47.59	301.53	4.08	-43.51
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132887	0	31	-1.0	-62.91	280.86	3.75	-59.16
O=C([O-])C1=C(S(=O)(=O)N2CCCC(C(F)F)C2)SC=N1	REAL300008132888	0	31	-1.0	-63.52	284.56	3.48	-60.04
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132889	0	34	-1.0	-72.99	288.05	4.93	-68.06
O=C([O-])CCCCCS(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132890	0	40	-1.0	-53.03	334.77	6.00	-47.03
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=N1	REAL300008132891	0	34	-1.0	-51.65	302.13	4.05	-47.60
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132892	0	35	-1.0	-52.96	323.52	6.35	-46.61
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132893	0	35	-1.0	-52.95	328.09	6.45	-46.50
COC1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1C(=O)[O-]	REAL300008132894	0	39	-1.0	-61.71	333.53	5.91	-55.80
CC1=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=CC=C1C(=O)[O-]	REAL300008132895	0	38	-1.0	-48.47	322.24	6.38	-42.09
CN(CCC(=O)[O-])S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132896	0	36	-1.0	-51.93	305.65	4.05	-47.88
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CCCC(C(F)F)C3)C=CC=C21	REAL300008132897	0	40	-1.0	-58.27	333.46	6.26	-52.01
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132898	0	42	-1.0	-54.44	360.74	5.54	-48.90
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132899	0	35	-1.0	-52.96	323.52	6.35	-46.61
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132900	0	35	-1.0	-47.91	298.81	5.90	-42.01
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132901	0	38	-1.0	-53.88	324.09	6.57	-47.31
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCCC(C(F)F)C3)C=C12	REAL300008132902	0	41	-1.0	-51.71	352.65	7.15	-44.56
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCCC(C(F)F)C2)C=C1	REAL300008132903	0	38	-1.0	-58.17	329.50	6.58	-51.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132904	0	39	-1.0	-55.66	328.09	5.67	-49.99
CC1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1C(=O)[O-]	REAL300008132905	0	38	-1.0	-55.63	322.28	6.36	-49.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132906	0	38	-1.0	-60.99	309.97	6.15	-54.84
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132907	0	39	-1.0	-46.28	335.46	5.96	-40.32
O=C([O-])CC1(CS(=O)(=O)N2CCCC(C(F)F)C2)CC1	REAL300008132908	0	38	-1.0	-54.41	318.32	5.72	-48.69
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132909	0	38	-1.0	-53.79	328.54	6.65	-47.14
COC1=C(S(=O)(=O)N2CCCC(C(F)F)C2)SC(C(=O)[O-])=C1	REAL300008132910	0	36	-1.0	-48.10	326.49	5.00	-43.10
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCCC(C(F)F)C3)=CC=C2O1	REAL300008132911	0	40	-1.0	-49.53	342.50	6.49	-43.04
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1C(F)(F)F	REAL300008132912	0	38	-1.0	-48.26	336.37	6.65	-41.61
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCCC(C(F)F)C3)C=C2)CC1	REAL300008132913	0	42	-1.0	-51.82	352.43	7.76	-44.06
CCC1=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C(C(=O)[O-])O1	REAL300008132914	0	38	-1.0	-55.46	320.53	5.43	-50.03
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132915	0	37	-1.0	-58.79	320.15	7.42	-51.37
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CCCC(C(F)F)C3)=CC=C2S1	REAL300008132916	0	38	-1.0	-50.99	343.55	7.33	-43.66
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132917	0	37	-1.0	-53.08	319.42	7.44	-45.64
CC1=NC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1C(=O)[O-]	REAL300008132918	0	37	-1.0	-48.91	317.71	4.54	-44.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132919	0	39	-1.0	-48.63	327.20	5.67	-42.96
COC1=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=CC=C1C(=O)[O-]	REAL300008132920	0	39	-1.0	-56.18	332.76	5.91	-50.27
COC1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C(CC(=O)[O-])=C1	REAL300008132921	0	42	-1.0	-61.84	342.40	6.14	-55.70
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1F	REAL300008132922	0	38	-1.0	-51.55	333.84	6.65	-44.90
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132923	0	38	-1.0	-51.65	345.86	6.84	-44.81
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1	REAL300008132924	0	44	-1.0	-51.76	360.62	7.54	-44.22
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132925	0	35	-1.0	-50.49	294.15	4.03	-46.46
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCCC(C(F)F)C3)C=CC=C12	REAL300008132926	0	41	-1.0	-55.11	336.81	8.02	-47.09
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132927	0	35	-1.0	-50.52	308.96	4.80	-45.72
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132928	0	35	-1.0	-60.78	312.46	7.41	-53.37
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=CC=C1Cl	REAL300008132929	0	35	-1.0	-54.80	318.00	6.23	-48.57
O=C([O-])C1=C(S(=O)(=O)N2CCCC(C(F)F)C2)OC=C1	REAL300008132930	0	32	-1.0	-64.07	287.60	4.26	-59.81
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132931	0	39	-1.0	-66.23	320.78	6.07	-60.16
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132932	0	32	-1.0	-60.99	283.60	2.78	-58.21
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132933	0	35	-1.0	-50.49	294.15	4.03	-46.46
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132935	0	42	-1.0	-58.01	345.21	5.50	-52.51
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132936	0	34	-1.0	-52.78	303.18	3.92	-48.86
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132937	0	38	-1.0	-56.41	319.16	6.97	-49.44
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132938	0	32	-1.0	-47.30	305.91	4.50	-42.80
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C2=CC=CC=C12	REAL300008132939	0	41	-1.0	-51.04	335.21	7.99	-43.05
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132940	0	42	-1.0	-59.61	352.43	6.63	-52.98
COC1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C(C(=O)[O-])=C1	REAL300008132941	0	39	-1.0	-67.40	321.18	6.08	-61.32
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=CC=N1	REAL300008132942	0	34	-1.0	-58.87	301.55	4.07	-54.80
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=NN1	REAL300008132943	0	32	-1.0	-44.07	289.33	2.07	-42.00
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132944	0	35	-1.0	-58.17	307.29	3.63	-54.54
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CCCC(C(F)F)C3)C=C2C=C1	REAL300008132945	0	41	-1.0	-52.68	351.58	8.09	-44.59
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCCC(C(F)F)C2)C1	REAL300008132946	0	38	-1.0	-55.39	307.69	5.36	-50.03
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCCC(C(F)F)C2)S1	REAL300008132947	0	35	-1.0	-51.98	316.28	5.52	-46.46
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132948	0	41	-1.0	-67.42	336.59	9.02	-58.40
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCCC(C(F)F)C2)=C1	REAL300008132949	0	38	-1.0	-48.33	327.84	7.09	-41.24
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132950	0	38	-1.0	-64.27	312.87	7.10	-57.17
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1CCCC(C(F)F)C1)=C2	REAL300008132951	0	35	-1.0	-48.64	335.64	6.40	-42.24
O=C([O-])C1=NC(S(=O)(=O)N2CCCC(C(F)F)C2)=C2C=CC=CN21	REAL300008132952	0	38	-1.0	-60.56	334.17	4.43	-56.13
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCCC(C(F)F)C3)=C2C=C1	REAL300008132953	0	38	-1.0	-44.83	332.30	7.05	-37.78
O=C([O-])C1CCCCN1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132954	0	40	-1.0	-57.69	310.45	5.67	-52.02
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=NN1	REAL300008132955	0	32	-1.0	-44.07	289.33	2.07	-42.00
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132956	0	37	-1.0	-64.11	306.86	4.79	-59.32
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132957	0	32	-1.0	-60.99	283.60	2.78	-58.21
O=C([O-])C1=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C(Cl)S1	REAL300008132958	0	32	-1.0	-57.29	302.65	5.96	-51.33
CC1=CC(S(=O)(=O)N2CCCC(C(F)F)C2)=CN=C1C(=O)[O-]	REAL300008132959	0	37	-1.0	-50.92	318.64	4.59	-46.33
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132960	0	38	-1.0	-64.27	312.87	7.10	-57.17
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1C(=O)[O-]	REAL300008132961	0	42	-1.0	-58.07	355.39	6.81	-51.26
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCCC(C(F)F)C3)C=C2C1	REAL300008132962	0	42	-1.0	-49.67	351.70	7.71	-41.96
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCCC(C(F)F)C1	REAL300008132963	0	34	-1.0	-59.31	287.50	4.93	-54.38
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCCC(C(F)F)C3)C=C2C=C1	REAL300008132964	0	40	-1.0	-55.70	347.43	6.22	-49.48
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C2=C1	REAL300008132965	0	43	-1.0	-49.32	365.19	6.38	-42.94
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C2=C1	REAL300008132966	0	43	-1.0	-52.82	365.28	6.37	-46.45
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)C2=C1	REAL300008132967	0	46	-1.0	-55.04	376.57	7.04	-48.00
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H]1CCOC2=C(C)C=C(C)C=C21	REAL300008132968	0	47	-1.0	-54.97	392.99	6.26	-48.71
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)C2=C1	REAL300008132969	0	46	-1.0	-55.02	385.35	7.01	-48.01
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=C(C(=O)[O-])SC=C3)C2=C1	REAL300008132970	0	40	-1.0	-49.19	345.66	6.07	-43.12
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)C2=C1	REAL300008132971	0	43	-1.0	-52.82	365.28	6.37	-46.45
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)C2=C1	REAL300008132972	0	43	-1.0	-49.32	365.19	6.38	-42.94
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=CC=C3C(=O)[O-])C2=C1	REAL300008132973	0	43	-1.0	-52.30	350.59	7.14	-45.16
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CNC(C(=O)[O-])=C3)C2=C1	REAL300008132974	0	41	-1.0	-51.11	354.64	4.11	-47.00
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CN(CC(=O)[O-])N=C3)C2=C1	REAL300008132975	0	43	-1.0	-51.71	370.68	4.52	-47.19
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])S3)C2=C1	REAL300008132976	0	40	-1.0	-47.91	357.94	5.53	-42.38
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=NNC=C3C(=O)[O-])C2=C1	REAL300008132977	0	40	-1.0	-56.92	341.43	3.47	-53.45
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)N3CCCC(C(=O)[O-])C3)C2=C1	REAL300008132978	0	48	-1.0	-49.31	382.99	5.51	-43.80
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)N3CCC(C(=O)[O-])CC3)C2=C1	REAL300008132979	0	48	-1.0	-48.11	378.56	5.38	-42.73
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=CC=C3C(=O)[O-])C2=C1	REAL300008132980	0	43	-1.0	-52.30	350.59	7.14	-45.16
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC(Cl)=CC=C3C(=O)[O-])C2=C1	REAL300008132981	0	43	-1.0	-45.94	367.49	7.66	-38.28
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])O3)C2=C1	REAL300008132982	0	40	-1.0	-49.74	351.24	4.80	-44.94
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H]2CCOC3=C(C)C=C(C)C=C32)O1	REAL300008132983	0	43	-1.0	-50.12	371.12	5.31	-44.81
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)CCCC(=O)[O-])C2=C1	REAL300008132984	0	42	-1.0	-51.55	350.86	5.01	-46.54
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)N3CCCC3C(=O)[O-])C2=C1	REAL300008132985	0	45	-1.0	-49.26	358.47	4.73	-44.53
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)C2=C1	REAL300008132986	0	46	-1.0	-57.63	388.62	7.11	-50.52
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)N3CCC(C(=O)[O-])CC3)C2=C1	REAL300008132987	0	48	-1.0	-48.11	378.56	5.38	-42.73
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)CC3=CC=CC(C(=O)[O-])=C3)C2=C1	REAL300008132988	0	46	-1.0	-58.78	388.63	7.09	-51.69
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])O3)C2=C1	REAL300008132989	0	40	-1.0	-49.74	351.24	4.80	-44.94
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)C2=C1	REAL300008132990	0	47	-1.0	-48.92	396.29	6.65	-42.27
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)CCCC(=O)[O-])C2=C1	REAL300008132991	0	42	-1.0	-51.55	350.86	5.01	-46.54
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC(C(=O)[O-])=CS3)C2=C1	REAL300008132992	0	40	-1.0	-50.23	359.07	5.43	-44.80
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)C2=C1	REAL300008132993	0	49	-1.0	-56.45	394.37	7.74	-48.71
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=CC(C)=C3C(=O)[O-])C2=C1	REAL300008132994	0	46	-1.0	-55.23	376.95	7.52	-47.71
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CSC(C(=O)[O-])=C3)C2=C1	REAL300008132995	0	40	-1.0	-51.20	357.14	5.44	-45.76
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)C2=C1	REAL300008132996	0	46	-1.0	-49.93	371.58	7.07	-42.86
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)C2=C1	REAL300008132997	0	46	-1.0	-49.08	387.42	7.15	-41.93
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC(C(=O)[O-])=CO3)C2=C1	REAL300008132998	0	40	-1.0	-49.56	351.49	4.53	-45.03
CC1=CC(C)=C2OCC[C@H](NS(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)C2=C1	REAL300008132999	0	46	-1.0	-51.48	387.48	7.15	-44.33
CC1=C(S(=O)(=O)N[C@H]2CCOC3=C(C)C=C(C)C=C32)C=C(C(=O)[O-])O1	REAL300008133000	0	43	-1.0	-52.63	367.80	5.39	-47.24
COC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134444	0	36	-1.0	-58.54	311.11	3.91	-54.63
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134445	0	43	-1.0	-62.23	366.91	4.12	-58.11
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1C	REAL300008134446	0	43	-1.0	-57.79	367.65	0.97	-56.82
O=C([O-])C(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C1CCC1	REAL300008134447	0	50	-1.0	-41.91	367.80	5.91	-36.00
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)C=CC=C2C=C1	REAL300008134448	0	40	-1.0	-50.84	325.64	5.76	-45.08
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1CCC1	REAL300008134449	0	40	-1.0	-68.45	340.28	5.89	-62.56
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C1CCC1	REAL300008134450	0	43	-1.0	-55.20	353.15	2.57	-52.63
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134451	0	46	-1.0	-60.59	398.95	5.13	-55.46
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134452	0	46	-1.0	-61.45	393.96	5.33	-56.12
CCCN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134453	0	38	-1.0	-51.80	330.53	4.99	-46.81
COCCOCCOCCS(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134454	0	46	-1.0	-57.52	388.73	1.45	-56.07
CC(COC1CCCC1)CS(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134455	0	48	-1.0	-58.55	382.71	5.53	-53.02
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134456	0	39	-1.0	-42.69	349.30	4.53	-38.16
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1CCC1	REAL300008134457	0	40	-1.0	-55.02	341.18	1.91	-53.11
COC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134458	0	36	-1.0	-52.91	326.43	3.90	-49.01
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C1CCC1	REAL300008134459	0	36	-1.0	-55.53	321.35	4.15	-51.38
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CC=C1[N+](=O)[O-]	REAL300008134460	0	38	-1.0	-50.70	331.14	4.73	-45.97
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134461	0	38	-1.0	-39.67	332.80	6.03	-33.64
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134462	0	38	-1.0	-40.76	333.15	6.05	-34.71
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CC=C1C(F)(F)F	REAL300008134463	0	38	-1.0	-50.81	330.06	5.50	-45.31
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134464	0	41	-1.0	-43.89	331.90	6.20	-37.69
O=C([O-])C(NS(=O)(=O)CCCN1CCOCC1)C1CCC1	REAL300008134465	0	44	-1.0	-57.95	353.92	1.10	-56.85
CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134466	0	39	-1.0	-55.02	327.14	4.22	-50.80
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=N1	REAL300008134467	0	39	-1.0	-55.79	342.89	1.78	-54.01
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C1CCC1	REAL300008134468	0	39	-1.0	-56.63	339.54	4.57	-52.06
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1C	REAL300008134469	0	59	-1.0	-51.79	459.12	8.45	-43.34
O=C([O-])C(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C1CCC1	REAL300008134470	0	40	-1.0	-58.67	348.50	6.19	-52.48
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C1CCC1	REAL300008134471	0	37	-1.0	-56.89	316.97	4.33	-52.56
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(Br)=C1)C1CCC1	REAL300008134472	0	35	-1.0	-43.51	320.58	5.38	-38.13
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1Br)C1CCC1	REAL300008134473	0	35	-1.0	-45.66	316.09	5.31	-40.35
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C1CCC1	REAL300008134474	0	39	-1.0	-66.38	340.33	1.86	-64.52
CC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134475	0	35	-1.0	-42.86	323.79	5.51	-37.35
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134476	0	35	-1.0	-52.13	308.98	5.48	-46.65
COCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134477	0	39	-1.0	-44.27	324.03	4.23	-40.04
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CC=C1Br	REAL300008134478	0	36	-1.0	-42.09	331.00	4.20	-37.89
COC1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1Cl	REAL300008134479	0	40	-1.0	-42.26	338.78	4.21	-38.05
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1CCC1	REAL300008134480	0	35	-1.0	-58.82	319.95	3.10	-55.72
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1CCC1	REAL300008134481	0	35	-1.0	-52.68	320.21	3.01	-49.67
CC1(C)CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CCC3)=CC=C2O1	REAL300008134482	0	43	-1.0	-53.90	352.67	5.27	-48.63
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C1CCC1	REAL300008134483	0	35	-1.0	-48.92	310.18	3.58	-45.34
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134484	0	43	-1.0	-43.90	341.43	1.63	-42.27
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134485	0	44	-1.0	-58.07	378.81	3.24	-54.83
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134486	0	36	-1.0	-59.75	319.78	5.29	-54.46
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1F	REAL300008134487	0	40	-1.0	-41.83	360.03	1.00	-40.83
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134488	0	46	-1.0	-55.72	394.29	1.81	-53.91
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134489	0	43	-1.0	-50.81	353.00	4.44	-46.37
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1F	REAL300008134490	0	43	-1.0	-42.11	383.50	1.91	-40.20
CCC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134491	0	41	-1.0	-58.35	342.16	6.15	-52.20
O=C([O-])C(NS(=O)(=O)CCC1=CC=CS1)C1CCC1	REAL300008134492	0	35	-1.0	-56.22	310.52	4.62	-51.60
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C1CCC1	REAL300008134493	0	47	-1.0	-46.28	394.83	4.67	-41.61
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C1CCC1	REAL300008134494	0	44	-1.0	-48.01	365.16	4.43	-43.58
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134495	0	41	-1.0	-59.09	357.83	2.41	-56.68
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134496	0	42	-1.0	-68.59	365.87	1.35	-67.24
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1C	REAL300008134497	0	41	-1.0	-44.02	338.90	6.01	-38.01
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1Br	REAL300008134498	0	39	-1.0	-43.63	354.85	5.14	-38.49
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1C1=CC=CC=C1	REAL300008134499	0	46	-1.0	-58.16	383.80	7.05	-51.11
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C1CCC1	REAL300008134500	0	36	-1.0	-55.13	331.67	4.60	-50.53
COC1=CC=C(Br)C(CS(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134501	0	39	-1.0	-45.97	344.03	4.66	-41.31
CC1(C)CN(S(=O)(=O)NC(C(=O)[O-])C2CCC2)CCO1	REAL300008134502	0	41	-1.0	-43.41	328.49	2.47	-40.94
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)C=C2S1	REAL300008134503	0	46	-1.0	-53.45	388.18	5.97	-47.48
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134504	0	39	-1.0	-42.11	332.76	5.51	-36.60
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CCC3)=CC=C21	REAL300008134505	0	44	-1.0	-55.20	366.48	5.52	-49.68
CCS(=O)(=O)NCCS(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134506	0	39	-1.0	-60.87	344.10	-1.12	-61.99
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)OC2=CC=C(F)C=C12	REAL300008134507	0	38	-1.0	-47.10	335.08	5.50	-41.60
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C1CCC1	REAL300008134508	0	35	-1.0	-44.37	338.85	6.19	-38.18
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C2=CC(Cl)=CC=C2S1	REAL300008134509	0	38	-1.0	-45.58	350.70	7.14	-38.44
O=C([O-])C(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C1CCC1	REAL300008134510	0	35	-1.0	-45.94	336.87	6.09	-39.85
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C1CCC1	REAL300008134511	0	38	-1.0	-45.76	333.80	6.87	-38.89
O=C([O-])C(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C1CCC1	REAL300008134512	0	38	-1.0	-56.36	336.27	5.80	-50.56
O=C([O-])C(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C1CCC1	REAL300008134513	0	43	-1.0	-57.97	361.39	5.48	-52.49
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C1CCC1	REAL300008134514	0	46	-1.0	-41.61	374.89	7.33	-34.28
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134515	0	45	-1.0	-58.32	381.70	5.55	-52.77
O=C([O-])C(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C1CCC1	REAL300008134516	0	43	-1.0	-60.82	380.24	1.19	-59.63
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C2=CC=CC(C)=C2S1	REAL300008134517	0	41	-1.0	-48.15	354.19	7.24	-40.91
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1N(C)C	REAL300008134518	0	43	-1.0	-53.69	349.77	4.67	-49.02
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1Br)C1CCC1	REAL300008134519	0	38	-1.0	-58.15	336.48	5.97	-52.18
O=C([O-])C(NS(=O)(=O)C1=C2OCCCN2N=C1)C1CCC1	REAL300008134520	0	37	-1.0	-45.85	303.89	0.97	-44.88
O=C([O-])C(NS(=O)(=O)CCOCC1CCCC1)C1CCC1	REAL300008134521	0	45	-1.0	-54.65	366.88	4.61	-50.04
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1Cl	REAL300008134522	0	39	-1.0	-43.16	340.62	4.78	-38.38
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134523	0	41	-1.0	-51.65	358.54	2.31	-49.34
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1Cl	REAL300008134524	0	36	-1.0	-43.55	338.29	5.72	-37.83
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134525	0	44	-1.0	-52.43	353.15	4.59	-47.84
O=C([O-])C(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C1CCC1	REAL300008134526	0	40	-1.0	-52.84	353.49	2.69	-50.15
CCC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)C=C12	REAL300008134527	0	39	-1.0	-48.85	343.57	1.87	-46.98
O=C([O-])C(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C1CCC1	REAL300008134528	0	43	-1.0	-47.60	373.47	3.92	-43.68
CN1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CCC3)=CN=C21	REAL300008134529	0	37	-1.0	-51.50	324.76	3.26	-48.24
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1CCC1	REAL300008134530	0	38	-1.0	-53.38	342.32	6.90	-46.48
CCC1=CC(CC)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(CC)=C1	REAL300008134531	0	50	-1.0	-42.43	371.51	8.53	-33.90
O=C([O-])C(NS(=O)(=O)C1=CN2CCCCC2=N1)C1CCC1	REAL300008134532	0	39	-1.0	-55.77	322.59	4.13	-51.64
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C1CCC1	REAL300008134533	0	38	-1.0	-51.53	350.94	2.21	-49.32
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C1CCC1	REAL300008134534	0	41	-1.0	-45.46	346.57	7.83	-37.63
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C)=C1F	REAL300008134535	0	39	-1.0	-44.11	325.69	4.29	-39.82
CC1(CS(=O)(=O)NC(C(=O)[O-])C2CCC2)CCCCC1	REAL300008134536	0	44	-1.0	-42.51	331.46	5.71	-36.80
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C1CCC1	REAL300008134537	0	41	-1.0	-55.37	342.71	5.65	-49.72
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1CCC1	REAL300008134539	0	40	-1.0	-51.74	344.70	5.28	-46.46
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134540	0	39	-1.0	-42.69	352.88	4.46	-38.23
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2CCC2)C(F)=C1	REAL300008134541	0	38	-1.0	-47.25	324.57	5.49	-41.76
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CC(C)(C)C1=CC(CS(=O)(=O)NC(C(=O)[O-])C2CCC2)=NO1	REAL300008134545	0	43	-1.0	-44.64	360.73	4.87	-39.77
O=C([O-])C(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C1CCC1	REAL300008134546	0	41	-1.0	-48.01	342.92	1.36	-46.65
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CCC1	REAL300008134547	0	35	-1.0	-53.86	312.58	4.52	-49.34
CC1=C(CCS(=O)(=O)NC(C(=O)[O-])C2CCC2)SC=N1	REAL300008134548	0	37	-1.0	-56.78	331.37	3.39	-53.39
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COC1=CC=C2C=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)CCC2=C1	REAL300008134550	0	44	-1.0	-55.44	367.43	5.90	-49.54
O=C([O-])C(NS(=O)(=O)CC12CCC(CC1)CC2)C1CCC1	REAL300008134551	0	45	-1.0	-41.68	334.14	6.10	-35.58
CC(C)(CCS(=O)(=O)NC(C(=O)[O-])C1CCC1)S(C)(=O)=O	REAL300008134552	0	43	-1.0	-63.81	353.49	1.25	-62.56
O=C([O-])C(NS(=O)(=O)CC1CCCCC1(F)F)C1CCC1	REAL300008134553	0	41	-1.0	-45.35	329.98	5.24	-40.11
O=C([O-])C(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1CCC1	REAL300008134554	0	39	-1.0	-43.15	326.89	6.16	-36.99
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1[N+](=O)[O-]	REAL300008134555	0	40	-1.0	-43.33	343.72	6.06	-37.27
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C=C1)C1CCC1	REAL300008134556	0	32	-1.0	-51.88	299.02	4.67	-47.21
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O=C([O-])C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1CCC1	REAL300008134560	0	34	-1.0	-51.72	303.42	4.69	-47.03
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134561	0	37	-1.0	-41.72	322.25	5.71	-36.01
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1CCC1	REAL300008134562	0	34	-1.0	-47.33	291.54	5.57	-41.76
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134563	0	39	-1.0	-57.60	347.86	5.38	-52.22
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134564	0	39	-1.0	-53.42	326.54	4.25	-49.17
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1C	REAL300008134565	0	44	-1.0	-54.43	337.63	6.75	-47.68
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C)=C1	REAL300008134566	0	41	-1.0	-44.09	329.28	6.48	-37.61
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134567	0	47	-1.0	-44.10	370.23	7.36	-36.74
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C1CCC1	REAL300008134568	0	35	-1.0	-51.57	314.05	5.02	-46.55
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C1CCC1	REAL300008134569	0	35	-1.0	-43.89	301.96	5.63	-38.26
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1)C1CCC1	REAL300008134570	0	32	-1.0	-51.88	292.04	4.54	-47.34
CC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134571	0	37	-1.0	-54.04	316.36	4.44	-49.60
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1[N+](=O)[O-]	REAL300008134572	0	38	-1.0	-60.90	330.68	4.77	-56.13
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134573	0	44	-1.0	-54.34	351.49	6.34	-48.00
CC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134574	0	41	-1.0	-54.78	336.00	5.93	-48.85
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134575	0	43	-1.0	-55.88	369.89	2.06	-53.82
CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134576	0	41	-1.0	-54.42	339.53	6.24	-48.18
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1Br	REAL300008134577	0	36	-1.0	-43.67	332.99	4.22	-39.45
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CC=C1Br	REAL300008134578	0	35	-1.0	-51.30	314.66	5.21	-46.09
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)C=C2)=C1	REAL300008134579	0	46	-1.0	-45.17	391.17	7.76	-37.41
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C1CCC1	REAL300008134580	0	36	-1.0	-51.89	321.64	3.78	-48.11
CC1=C(C)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C)=C1C	REAL300008134581	0	47	-1.0	-54.79	349.09	7.10	-47.69
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C1CCC1	REAL300008134582	0	41	-1.0	-56.65	338.43	3.93	-52.72
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134583	0	48	-1.0	-44.90	369.37	6.64	-38.26
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1[N+](=O)[O-]	REAL300008134584	0	37	-1.0	-51.68	319.39	5.22	-46.46
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134585	0	36	-1.0	-57.73	326.00	4.46	-53.27
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134586	0	50	-1.0	-44.37	384.06	8.14	-36.23
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C1CCC1	REAL300008134587	0	35	-1.0	-50.67	313.91	5.02	-45.65
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C1CCC1	REAL300008134588	0	42	-1.0	-54.84	337.88	6.51	-48.33
COC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134589	0	40	-1.0	-61.91	334.67	3.11	-58.80
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1OC	REAL300008134590	0	40	-1.0	-46.72	341.81	3.45	-43.27
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCC2=C1)C1CCC1	REAL300008134591	0	39	-1.0	-55.76	320.72	5.93	-49.83
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C1CCC1	REAL300008134592	0	40	-1.0	-55.40	331.32	6.44	-48.96
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCC2=C1)C1CCC1	REAL300008134593	0	37	-1.0	-54.61	311.55	3.84	-50.77
CC(C)CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134594	0	47	-1.0	-54.67	379.07	7.50	-47.17
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1OCC	REAL300008134595	0	46	-1.0	-46.03	383.52	5.27	-40.76
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134596	0	37	-1.0	-57.75	329.80	-1.05	-58.80
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CC([N+](=O)[O-])=C1C	REAL300008134597	0	40	-1.0	-43.72	342.17	5.94	-37.78
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1C	REAL300008134598	0	40	-1.0	-42.32	340.09	6.25	-36.07
CC1=CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3CCC3)=C2N=C1	REAL300008134599	0	40	-1.0	-62.25	337.71	5.33	-56.92
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C([N+](=O)[O-])=C1	REAL300008134600	0	38	-1.0	-56.50	328.38	4.96	-51.54
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134601	0	36	-1.0	-41.15	309.90	4.49	-36.66
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134602	0	37	-1.0	-57.76	329.38	-1.02	-58.78
O=C([O-])C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C1CCC1	REAL300008134603	0	44	-1.0	-61.29	384.19	1.87	-59.42
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134604	0	40	-1.0	-56.99	350.65	5.57	-51.42
O=C([O-])C(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C1CCC1	REAL300008134605	0	41	-1.0	-43.31	337.72	5.52	-37.79
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C2=CC=CN=C12	REAL300008134606	0	40	-1.0	-48.53	339.20	5.52	-43.01
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1C	REAL300008134607	0	40	-1.0	-50.98	337.21	6.95	-44.03
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134608	0	43	-1.0	-50.82	378.59	2.25	-48.57
O=C([O-])C(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C1CCC1	REAL300008134609	0	44	-1.0	-67.98	362.55	3.35	-64.63
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134610	0	38	-1.0	-54.93	343.78	1.77	-53.16
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C1CCC1	REAL300008134611	0	42	-1.0	-46.25	344.07	7.97	-38.28
CC1CC(C)CN(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300008134612	0	43	-1.0	-53.99	333.84	4.28	-49.71
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CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CCC3)=CC=C2O1	REAL300008134720	0	40	-1.0	-53.91	332.10	4.61	-49.30
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134721	0	44	-1.0	-54.46	338.20	7.40	-47.06
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134722	0	44	-1.0	-41.59	360.69	2.87	-38.72
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1CCC1	REAL300008134723	0	43	-1.0	-45.60	388.48	7.61	-37.99
O=C([O-])C(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C1CCC1	REAL300008134724	0	38	-1.0	-47.78	330.07	5.41	-42.37
O=C([O-])C(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C1CCC1	REAL300008134725	0	38	-1.0	-52.60	365.79	5.36	-47.24
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)C=C2)=CO1	REAL300008134726	0	41	-1.0	-49.31	359.45	3.31	-46.00
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C(F)(F)F)=N1	REAL300008134727	0	35	-1.0	-46.63	315.38	3.02	-43.61
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C1CCC1	REAL300008134728	0	35	-1.0	-50.78	311.10	4.61	-46.17
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCOC2=C1)C1CCC1	REAL300008134729	0	35	-1.0	-51.94	301.21	2.68	-49.26
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=N1	REAL300008134730	0	35	-1.0	-52.02	307.62	0.80	-51.22
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C1CCC1	REAL300008134731	0	40	-1.0	-54.76	329.49	4.63	-50.13
O=C([O-])C(NS(=O)(=O)C1CC2=CC=CC=C2C1)C1CCC1	REAL300008134732	0	39	-1.0	-43.89	316.32	5.73	-38.16
CC1=CC=C(N2C=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)C=N2)C=C1	REAL300008134733	0	42	-1.0	-53.07	365.01	5.95	-47.12
CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CCC3)=CC(Cl)=C2O1	REAL300008134734	0	40	-1.0	-54.62	349.10	5.13	-49.49
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CC=C1[N+](=O)[O-]	REAL300008134735	0	37	-1.0	-50.19	320.00	5.18	-45.01
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=N1	REAL300008134736	0	43	-1.0	-59.75	364.20	4.75	-55.00
O=C([O-])C(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C1CCC1	REAL300008134737	0	34	-1.0	-52.74	307.21	3.51	-49.23
CN(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134738	0	40	-1.0	-56.49	326.77	4.42	-52.07
CC1=CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)C=C2C=C1	REAL300008134739	0	41	-1.0	-56.16	342.88	6.92	-49.24
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)SC=C1	REAL300008134740	0	33	-1.0	-62.08	294.42	2.12	-59.96
CN(C)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134741	0	40	-1.0	-55.77	326.28	4.40	-51.37
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCC2)C1CCC1	REAL300008134742	0	37	-1.0	-48.25	306.52	4.71	-43.54
O=C([O-])C(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C1CCC1	REAL300008134743	0	37	-1.0	-47.29	325.96	4.21	-43.08
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCOC2=C1)C1CCC1	REAL300008134744	0	37	-1.0	-54.94	311.10	3.86	-51.08
O=C([O-])C(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C1CCC1	REAL300008134745	0	38	-1.0	-56.13	337.48	6.02	-50.11
CN1CCCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)C=C21	REAL300008134746	0	44	-1.0	-57.41	349.89	4.54	-52.87
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C1CCC1	REAL300008134747	0	34	-1.0	-51.22	309.92	3.22	-48.00
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134748	0	40	-1.0	-63.79	327.94	4.55	-59.24
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134749	0	40	-1.0	-43.94	340.40	6.25	-37.69
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1[N+](=O)[O-]	REAL300008134750	0	40	-1.0	-51.74	334.11	7.14	-44.60
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1[N+](=O)[O-]	REAL300008134751	0	40	-1.0	-43.46	339.76	6.12	-37.34
COC1=CC=C(CCS(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134752	0	42	-1.0	-57.15	349.79	4.82	-52.33
COC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134753	0	35	-1.0	-46.27	307.78	1.71	-44.56
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300008134754	0	41	-1.0	-45.76	356.20	5.88	-39.88
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C1CCC1	REAL300008134755	0	39	-1.0	-43.68	328.46	6.25	-37.43
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CC(OC)=C1	REAL300008134756	0	40	-1.0	-56.74	339.38	2.74	-54.00
O=C([O-])C(NS(=O)(=O)CCC1CCCCC1)C1CCC1	REAL300008134757	0	44	-1.0	-56.50	341.54	5.66	-50.84
CC1=CC=C(CCS(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134758	0	41	-1.0	-56.43	341.69	6.20	-50.23
CC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1)OCO2	REAL300008134759	0	38	-1.0	-43.06	320.00	3.69	-39.37
O=C([O-])C(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C1CCC1	REAL300008134760	0	35	-1.0	-47.76	296.42	4.32	-43.44
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CC=C1Cl	REAL300008134761	0	36	-1.0	-42.05	326.61	4.08	-37.97
CN1C=NC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CCC3)=CC=C21	REAL300008134762	0	38	-1.0	-59.33	323.90	5.33	-54.00
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C2=NC=CC=C2C=C1	REAL300008134763	0	40	-1.0	-54.36	335.90	6.08	-48.28
CC1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)C=C2O1	REAL300008134764	0	37	-1.0	-55.07	324.02	1.79	-53.28
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1CC	REAL300008134765	0	44	-1.0	-55.41	352.26	6.59	-48.82
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134766	0	40	-1.0	-41.09	338.12	6.50	-34.59
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134767	0	42	-1.0	-59.79	337.40	5.77	-54.02
CC1=C(C)SC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134768	0	35	-1.0	-44.03	312.18	4.54	-39.49
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134769	0	33	-1.0	-42.08	305.45	2.12	-39.96
CCC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300008134770	0	34	-1.0	-42.30	309.22	2.76	-39.54
CN(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=N1	REAL300008134771	0	39	-1.0	-55.77	330.34	3.95	-51.82
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300008134772	0	35	-1.0	-56.48	302.11	4.06	-52.42
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C1CCC1	REAL300008134773	0	38	-1.0	-49.05	327.06	6.04	-43.01
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCO2)C1CCC1	REAL300008134774	0	35	-1.0	-44.47	289.57	2.55	-41.92
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CC(C)=C1F	REAL300008134775	0	38	-1.0	-43.12	323.98	5.44	-37.68
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C1CCC1	REAL300008134776	0	39	-1.0	-48.40	337.33	3.98	-44.42
O=C([O-])C(NS(=O)(=O)CCCOCC1=CC=CC=C1)C1CCC1	REAL300008134777	0	45	-1.0	-59.93	381.02	5.69	-54.24
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC=CC(F)=C12)C1CCC1	REAL300008134778	0	36	-1.0	-50.30	315.28	4.10	-46.20
O=C([O-])C(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C1CCC1	REAL300008134779	0	34	-1.0	-48.08	298.79	4.05	-44.03
CC1=NC(CS(=O)(=O)NC(C(=O)[O-])C2CCC2)=CS1	REAL300008134780	0	34	-1.0	-61.62	305.41	2.42	-59.20
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C1CCC1	REAL300008134781	0	35	-1.0	-56.57	315.52	5.26	-51.31
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CC=C1Cl	REAL300008134782	0	35	-1.0	-51.42	310.62	5.13	-46.29
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1CCC1	REAL300008134783	0	38	-1.0	-66.59	323.87	4.97	-61.62
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)C=C2)=N1	REAL300008134784	0	41	-1.0	-46.34	367.30	5.71	-40.63
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C1CCC1	REAL300008134785	0	40	-1.0	-49.15	333.53	5.43	-43.72
O=C([O-])C(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C1CCC1	REAL300008134786	0	39	-1.0	-62.40	340.76	1.85	-60.55
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C1CCC1	REAL300008134787	0	41	-1.0	-51.44	328.59	4.46	-46.98
O=C([O-])C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C1CCC1	REAL300008134788	0	35	-1.0	-42.81	317.73	5.31	-37.50
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134789	0	57	-1.0	-52.87	455.53	8.95	-43.92
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134790	0	45	-1.0	-54.93	365.82	5.66	-49.27
COC(CS(=O)(=O)NC(C(=O)[O-])C1CCC1)C1CCCC1	REAL300008134791	0	45	-1.0	-57.89	348.53	4.38	-53.51
COC(CS(=O)(=O)NC(C(=O)[O-])C1CCC1)C1CCCCC1	REAL300008134792	0	48	-1.0	-58.45	368.08	4.80	-53.65
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C1CCC1	REAL300008134793	0	46	-1.0	-45.51	400.56	7.60	-37.91
CCOC(CS(=O)(=O)NC(C(=O)[O-])C1CCC1)C1CC1	REAL300008134794	0	42	-1.0	-43.21	342.93	4.45	-38.76
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1C(C)C	REAL300008134795	0	51	-1.0	-45.68	414.54	7.30	-38.38
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CN1CC1CC1	REAL300008134796	0	45	-1.0	-57.01	376.38	6.67	-50.34
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C1CCC1	REAL300008134797	0	35	-1.0	-43.58	318.96	3.68	-39.90
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C)=C1[N+](=O)[O-]	REAL300008134798	0	40	-1.0	-44.06	337.97	6.32	-37.74
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134799	0	39	-1.0	-44.12	325.57	3.99	-40.13
O=C([O-])C(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C1CCC1	REAL300008134800	0	45	-1.0	-44.07	380.18	6.44	-37.63
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134801	0	35	-1.0	-43.10	323.81	2.90	-40.20
O=C([O-])C(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C1CCC1	REAL300008134802	0	43	-1.0	-54.22	376.38	8.10	-46.12
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C1CCC1	REAL300008134803	0	42	-1.0	-59.58	343.05	7.45	-52.13
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C(C)C=C1OC	REAL300008134804	0	45	-1.0	-42.85	359.99	5.52	-37.33
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1CCC1	REAL300008134805	0	38	-1.0	-50.79	346.82	5.86	-44.93
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=N1	REAL300008134806	1	34	-1.0	-50.90	302.44	2.93	-47.97
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C2=CC=CC=C2C=C1	REAL300008134807	0	41	-1.0	-48.54	331.23	7.28	-41.26
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=N1	REAL300008134808	0	41	-1.0	-51.13	344.86	2.54	-48.59
COC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134809	0	36	-1.0	-46.87	315.29	4.25	-42.62
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1C(C)C	REAL300008134810	0	48	-1.0	-44.78	391.04	6.48	-38.30
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1F	REAL300008134811	0	44	-1.0	-54.73	353.38	6.28	-48.45
O=C([O-])C(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C1CCC1	REAL300008134812	0	51	-1.0	-57.55	405.84	8.65	-48.90
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134813	0	42	-1.0	-46.75	333.48	4.13	-42.62
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C(C)(C)C)=N1	REAL300008134814	0	44	-1.0	-45.84	344.01	4.73	-41.11
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C1CCC1	REAL300008134815	0	42	-1.0	-52.43	350.46	4.51	-47.92
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134816	0	35	-1.0	-42.42	311.25	2.93	-39.49
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134817	0	39	-1.0	-46.43	332.42	4.22	-42.21
C=CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134818	0	42	-1.0	-54.71	352.81	6.77	-47.94
CCC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134819	0	38	-1.0	-47.16	318.19	3.15	-44.01
CCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1C(C)C	REAL300008134820	0	54	-1.0	-53.13	428.58	7.82	-45.31
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C1CCC1	REAL300008134821	0	36	-1.0	-53.52	330.23	5.88	-47.64
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1C(C)(C)C	REAL300008134822	0	54	-1.0	-55.10	419.65	7.70	-47.40
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1CC	REAL300008134823	0	48	-1.0	-53.37	390.19	6.50	-46.87
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134824	0	38	-1.0	-40.76	324.58	6.32	-34.44
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134825	0	38	-1.0	-40.61	333.48	6.04	-34.57
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C1CCC1	REAL300008134826	0	36	-1.0	-55.57	329.64	5.81	-49.76
CCCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134827	0	41	-1.0	-43.22	333.41	6.71	-36.51
COC1=NC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134828	0	35	-1.0	-46.91	291.15	1.69	-45.22
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134829	0	48	-1.0	-47.36	391.06	6.85	-40.51
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CC1=CSC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134831	0	35	-1.0	-41.23	302.25	4.86	-36.37
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O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1CCC1)C1CCC1	REAL300008134833	0	39	-1.0	-43.59	320.58	3.72	-39.87
O=C([O-])C(NS(=O)(=O)C1=CC=NN1CC1CCC1)C1CCC1	REAL300008134834	0	42	-1.0	-43.16	344.96	4.62	-38.54
CC1(C)COC2=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)C=NN2C1	REAL300008134835	0	43	-1.0	-45.95	341.89	2.08	-43.87
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C1CCC1	REAL300008134836	0	38	-1.0	-46.29	346.06	5.08	-41.21
O=C([O-])C(NS(=O)(=O)C1=CN=C2CCCCN12)C1CCC1	REAL300008134837	0	39	-1.0	-47.72	320.61	4.16	-43.56
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1C(C)C	REAL300008134838	0	57	-1.0	-53.09	450.08	8.60	-44.49
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1C	REAL300008134839	0	48	-1.0	-44.13	377.25	6.09	-38.04
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134840	0	42	-1.0	-43.83	342.10	5.67	-38.16
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1C(C)C	REAL300008134841	0	55	-1.0	-46.09	446.52	6.70	-39.39
CC1CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3CCC3)=C2O1	REAL300008134842	0	40	-1.0	-49.54	338.15	4.76	-44.78
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300008134843	0	40	-1.0	-45.21	351.88	3.91	-41.30
O=C([O-])C(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C1CCC1	REAL300008134844	0	38	-1.0	-48.22	331.31	4.75	-43.47
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134845	0	37	-1.0	-56.85	318.05	3.72	-53.13
O=C([O-])C(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C1CCC1	REAL300008134846	0	41	-1.0	-44.13	328.83	4.24	-39.89
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12)C1CCC1	REAL300008134847	0	36	-1.0	-46.06	321.63	4.24	-41.82
O=C([O-])C(NS(=O)(=O)C1=CC2=NON=C2C=C1)C1CCC1	REAL300008134848	0	33	-1.0	-39.72	295.96	3.02	-36.70
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C1CCC1	REAL300008134849	0	35	-1.0	-57.13	321.68	5.61	-51.52
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134850	0	39	-1.0	-45.18	328.04	3.62	-41.56
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C)=C1F	REAL300008134851	0	41	-1.0	-43.42	333.21	6.48	-36.94
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1OC	REAL300008134852	0	40	-1.0	-49.87	338.51	4.04	-45.83
O=C([O-])C(NS(=O)(=O)C1=COC2=CC=CC=C21)C1CCC1	REAL300008134853	0	35	-1.0	-46.19	297.93	3.97	-42.22
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C2CCCC2)=N1	REAL300008134854	0	45	-1.0	-47.22	366.46	5.04	-42.18
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134855	0	44	-1.0	-52.15	358.95	4.67	-47.48
CCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C)=N1	REAL300008134856	0	44	-1.0	-48.64	371.26	4.95	-43.69
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C2CC2)=N1	REAL300008134857	0	39	-1.0	-48.18	338.34	4.07	-44.11
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C1CCC1	REAL300008134858	0	36	-1.0	-56.70	314.88	3.57	-53.13
CN1N=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3CCC3)C=CC=C21	REAL300008134859	0	37	-1.0	-57.19	312.63	2.57	-54.62
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1Br	REAL300008134860	0	38	-1.0	-41.90	333.45	6.23	-35.67
CC1(C)CCCN(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300008134861	0	43	-1.0	-42.38	335.94	4.63	-37.75
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C1CCC1	REAL300008134862	0	38	-1.0	-50.55	344.58	5.19	-45.36
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C2CCC2)=N1	REAL300008134863	0	42	-1.0	-47.68	353.27	4.53	-43.15
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134864	0	50	-1.0	-43.51	387.78	8.12	-35.39
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1CCC1	REAL300008134865	0	38	-1.0	-51.31	346.40	5.90	-45.41
O=C([O-])C(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C1CCC1	REAL300008134866	0	42	-1.0	-52.53	357.01	4.81	-47.72
O=C([O-])C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C1CCC1	REAL300008134867	0	36	-1.0	-57.21	313.16	5.22	-51.99
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C1CCC1	REAL300008134868	0	43	-1.0	-40.41	356.24	6.72	-33.69
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C2=NC=CC=C2C=C1	REAL300008134869	0	41	-1.0	-57.50	345.60	5.45	-52.05
CCCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134870	0	41	-1.0	-54.75	339.59	6.23	-48.52
CN1N=C2CCCC2=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134871	0	39	-1.0	-52.29	328.28	3.67	-48.62
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134872	0	41	-1.0	-44.86	326.31	4.14	-40.72
CC(C)(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=N1	REAL300008134873	0	41	-1.0	-52.47	345.64	3.87	-48.60
O=C([O-])C(NS(=O)(=O)C1=CNN=C1C1CCC1)C1CCC1	REAL300008134874	0	39	-1.0	-45.59	331.20	3.27	-42.32
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CN=C1C(F)(F)F	REAL300008134875	0	37	-1.0	-48.05	326.29	3.84	-44.21
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1CCC1	REAL300008134876	0	35	-1.0	-40.05	328.23	5.31	-34.74
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134877	0	43	-1.0	-59.56	359.89	6.05	-53.51
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C1CCC1	REAL300008134878	0	43	-1.0	-45.02	346.68	7.13	-37.89
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1CCC1	REAL300008134879	0	38	-1.0	-52.87	339.24	5.06	-47.81
O=C([O-])C(NS(=O)(=O)N1CC2=CC=CC=C2C1)C1CCC1	REAL300008134880	0	38	-1.0	-53.79	323.60	4.56	-49.23
O=C([O-])C(NS(=O)(=O)CC1=NOC2=C1COCC2)C1CCC1	REAL300008134881	0	39	-1.0	-48.34	334.85	2.55	-45.79
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134882	0	42	-1.0	-51.74	371.34	4.79	-46.95
O=C([O-])C(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C1CCC1	REAL300008134883	0	32	-1.0	-40.94	295.37	4.44	-36.50
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C1CCC1	REAL300008134884	0	39	-1.0	-54.79	325.01	6.10	-48.69
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=CS1	REAL300008134885	0	33	-1.0	-42.11	290.21	2.74	-39.37
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1CCCC1)C1CCC1	REAL300008134886	0	42	-1.0	-50.23	336.67	4.48	-45.75
CCC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134887	0	41	-1.0	-43.83	339.17	4.02	-39.81
CN(C1CCCCCC1)S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134888	0	46	-1.0	-41.78	347.51	4.98	-36.80
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C2CCOCC2)=N1	REAL300008134889	0	46	-1.0	-46.50	375.79	3.26	-43.24
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134890	0	38	-1.0	-53.29	328.88	5.52	-47.77
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C1CCC1	REAL300008134891	0	36	-1.0	-54.50	315.04	3.58	-50.92
O=C([O-])C(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C1CCC1	REAL300008134892	0	47	-1.0	-55.26	371.06	6.63	-48.63
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300008134893	0	33	-1.0	-42.46	303.00	2.61	-39.85
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C2=NC=CC=C12	REAL300008134894	0	43	-1.0	-54.16	347.72	6.34	-47.82
O=C([O-])C(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C1CCC1	REAL300008134895	0	40	-1.0	-54.40	330.59	4.13	-50.27
O=C([O-])C(NS(=O)(=O)C1=CN(CCF)N=C1)C1CCC1	REAL300008134896	0	35	-1.0	-55.73	315.81	2.86	-52.87
CCOCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300008134897	0	42	-1.0	-55.91	352.12	4.71	-51.20
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134898	0	42	-1.0	-49.29	362.88	5.41	-43.88
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C1CCC1	REAL300008134899	0	45	-1.0	-54.48	362.39	4.98	-49.50
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1CCC1	REAL300008134900	0	43	-1.0	-45.11	369.74	7.07	-38.04
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1CF)C1CCC1	REAL300008134901	0	35	-1.0	-42.59	299.79	5.22	-37.37
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=CC(C)=C1Br	REAL300008134902	0	38	-1.0	-42.63	334.00	5.88	-36.75
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C2=CC=CC=C12	REAL300008134903	0	41	-1.0	-49.67	341.72	7.12	-42.55
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(C2=CC=CC=C2)=N1	REAL300008134904	0	42	-1.0	-51.17	353.75	5.58	-45.59
O=C([O-])C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C1CCC1	REAL300008134905	0	36	-1.0	-54.66	315.17	5.28	-49.38
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C1CCC1	REAL300008134906	0	36	-1.0	-53.45	334.79	5.97	-47.48
O=C([O-])C(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C1CCC1	REAL300008134907	0	36	-1.0	-54.04	330.05	5.84	-48.20
O=C([O-])C(NS(=O)(=O)CCC1NC(=O)NC1=O)C1CCC1	REAL300008134908	0	37	-1.0	-42.12	317.94	-2.03	-44.15
O=C([O-])C(NS(=O)(=O)C1=CN=C2C=CC=CN12)C1CCC1	REAL300008134909	0	35	-1.0	-55.69	303.08	4.41	-51.28
O=C([O-])C(NS(=O)(=O)C1CCC(F)(F)CC1)C1CCC1	REAL300008134910	0	38	-1.0	-39.16	309.48	4.48	-34.68
O=C([O-])C(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C1CCC1	REAL300008134911	0	34	-1.0	-54.21	306.56	3.38	-50.83
O=C([O-])C(NS(=O)(=O)CCOC1CCOC1)C1CCC1	REAL300008134912	0	40	-1.0	-55.47	336.94	1.34	-54.13
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C(C2=CC=CC=C2)O1	REAL300008134913	0	41	-1.0	-52.79	350.11	3.25	-49.54
O=C([O-])C(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C1CCC1	REAL300008134914	0	49	-1.0	-42.71	355.87	7.03	-35.68
CC1(C)COC(CS(=O)(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300008134915	0	42	-1.0	-45.42	342.46	3.48	-41.94
O=C([O-])C(NS(=O)(=O)CC1CS(=O)(=O)C1)C1CCC1	REAL300008134916	0	35	-1.0	-65.22	313.12	-0.17	-65.39
CC(C)(CS(=O)(=O)NC(C(=O)[O-])C1CCC1)C(C)(F)F	REAL300008134917	0	40	-1.0	-55.35	321.14	4.60	-50.75
CS(=O)(=O)CCCCS(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134918	0	40	-1.0	-66.91	352.63	0.96	-65.95
CC1(C)CCC(CS(=O)(=O)NC(C(=O)[O-])C2CCC2)OC1	REAL300008134919	0	45	-1.0	-42.91	351.43	4.22	-38.69
O=C([O-])C(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C1CCC1	REAL300008134920	0	42	-1.0	-40.69	347.08	6.38	-34.31
O=C([O-])C(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C1CCC1	REAL300008134921	0	36	-1.0	-64.78	323.02	3.06	-61.72
O=C([O-])C(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C1CCC1	REAL300008134922	0	42	-1.0	-43.06	365.08	7.11	-35.95
O=C([O-])C(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C1CCC1	REAL300008134923	0	41	-1.0	-42.21	329.51	1.53	-40.68
O=C([O-])C(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C1CCC1	REAL300008134924	0	45	-1.0	-41.29	344.10	6.09	-35.20
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C1CCC1	REAL300008134925	0	36	-1.0	-45.95	327.03	5.56	-40.39
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3CCC3)=CC=C21	REAL300008134926	0	54	-1.0	-56.01	404.76	8.19	-47.82
COC1=CC=C(C=C(C)S(=O)(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300008134927	0	43	-1.0	-45.90	346.49	5.04	-40.86
COC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2CCC2)=C1OC	REAL300008134928	0	37	-1.0	-44.02	336.96	2.91	-41.11
O=C([O-])C(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C1CCC1	REAL300008134929	0	44	-1.0	-55.02	334.88	4.41	-50.61
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134930	0	43	-1.0	-55.37	361.25	6.00	-49.37
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C1CCC1	REAL300008134931	0	36	-1.0	-45.91	329.73	5.00	-40.91
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CCC2)C(F)=C1	REAL300008134932	0	36	-1.0	-45.93	314.55	3.66	-42.27
O=C([O-])C(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C1CCC1	REAL300008134933	0	36	-1.0	-57.18	320.62	3.67	-53.51
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C(=O)[O-])C1CCC1	REAL300008134934	0	38	-1.0	-47.87	322.62	4.11	-43.76
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CC1(C)CC(NS(=O)(=O)C2=CC=CS2)(C(=O)[O-])CC(C)(C)O1	REAL300008134994	0	42	-1.0	-57.34	323.20	4.30	-53.04
CCC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C=C1	REAL300008134995	0	57	-1.0	-57.58	407.20	7.70	-49.88
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CC1(C)CC(NS(=O)(=O)N2CCOCC2)(C(=O)[O-])CC(C)(C)O1	REAL300008134999	0	48	-1.0	-39.36	338.35	2.43	-36.93
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC	REAL300008138631	0	38	-1.0	-40.76	315.19	4.67	-36.09
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300008138632	0	45	-1.0	-59.54	359.87	4.99	-54.55
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300008138635	0	42	-1.0	-49.03	342.00	5.64	-43.39
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008138636	0	42	-1.0	-66.32	344.14	6.75	-59.57
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008138637	0	45	-1.0	-51.38	370.87	2.87	-48.51
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300008138638	0	48	-1.0	-42.44	403.38	5.88	-36.56
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300008138639	0	48	-1.0	-43.86	397.86	5.96	-37.90
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CCC)C=N1	REAL300008138640	0	40	-1.0	-58.20	341.53	5.12	-53.08
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CCOCCOCCOC	REAL300008138641	0	48	-1.0	-57.64	388.09	2.15	-55.49
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC(C)COC1CCCC1	REAL300008138642	0	50	-1.0	-58.07	380.14	6.21	-51.86
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300008138643	0	41	-1.0	-53.11	348.06	5.04	-48.07
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008138644	0	42	-1.0	-53.00	337.89	2.37	-50.63
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300008138645	0	38	-1.0	-48.89	343.81	4.25	-44.64
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008138646	0	38	-1.0	-52.22	312.14	4.89	-47.33
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300008138647	0	40	-1.0	-48.38	348.54	5.06	-43.32
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300008138648	0	40	-1.0	-41.11	334.26	6.32	-34.79
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300008138649	0	40	-1.0	-41.99	332.78	6.30	-35.69
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300008138650	0	40	-1.0	-50.87	333.95	6.25	-44.62
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)C	REAL300008138651	0	43	-1.0	-45.70	336.07	6.60	-39.10
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CCCN1CCOCC1	REAL300008138652	0	46	-1.0	-57.85	353.26	1.80	-56.05
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OCC)=C1	REAL300008138653	0	41	-1.0	-55.58	330.57	4.93	-50.65
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CCOC)N=C1	REAL300008138654	0	41	-1.0	-47.50	353.37	1.93	-45.57
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008138655	0	41	-1.0	-51.12	357.41	4.86	-46.26
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008138656	0	42	-1.0	-57.73	353.09	7.01	-50.72
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008138657	0	39	-1.0	-55.74	320.99	5.00	-50.74
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008138658	0	37	-1.0	-57.84	324.63	6.16	-51.68
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300008138659	0	37	-1.0	-49.22	333.06	5.61	-43.61
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008138660	0	41	-1.0	-67.48	343.85	2.57	-64.91
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300008138661	0	37	-1.0	-52.26	322.23	6.00	-46.26
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1C	REAL300008138662	0	37	-1.0	-41.16	314.81	5.79	-35.37
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1COC	REAL300008138663	0	41	-1.0	-43.91	328.27	4.51	-39.40
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300008138664	0	38	-1.0	-51.45	329.50	4.71	-46.74
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300008138665	0	42	-1.0	-42.39	355.12	4.44	-37.95
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008138666	0	37	-1.0	-49.24	337.57	3.38	-45.86
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008138667	0	37	-1.0	-55.19	331.64	3.22	-51.97
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008138668	0	45	-1.0	-54.29	356.98	5.98	-48.31
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008138669	0	37	-1.0	-46.45	326.39	3.59	-42.86
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC	REAL300008138670	0	45	-1.0	-45.84	363.44	3.32	-42.52
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1	REAL300008138671	0	46	-1.0	-55.00	396.73	3.53	-51.47
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008138789	0	39	-1.0	-58.50	333.70	-0.31	-58.81
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008138792	0	43	-1.0	-47.21	340.36	5.27	-41.94
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300008138793	0	42	-1.0	-49.38	336.17	5.87	-43.51
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300008138795	0	45	-1.0	-57.30	375.09	2.73	-54.57
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)N1CC(C)CC(C)C1	REAL300008138799	0	45	-1.0	-56.53	331.55	5.36	-51.17
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C	REAL300008138802	0	37	-1.0	-45.10	302.28	5.48	-39.62
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300008138805	0	38	-1.0	-40.51	325.52	5.12	-35.39
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC)=C1	REAL300008138806	0	38	-1.0	-55.68	309.03	4.04	-51.64
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1	REAL300008138807	0	49	-1.0	-49.19	383.49	7.11	-42.08
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300008138808	0	37	-1.0	-52.72	315.05	5.84	-46.88
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300008138809	0	44	-1.0	-48.32	361.75	5.16	-43.16
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008138810	0	37	-1.0	-57.84	320.07	6.05	-51.79
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008138811	0	35	-1.0	-59.91	303.08	3.20	-56.71
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008138812	0	39	-1.0	-42.69	338.84	6.93	-35.76
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008138813	0	39	-1.0	-49.98	326.46	5.01	-44.97
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008138814	0	45	-1.0	-50.94	398.43	7.70	-43.24
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300008138816	0	38	-1.0	-55.79	315.29	4.11	-51.68
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300008138817	0	37	-1.0	-52.71	306.31	5.44	-47.27
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008138818	0	45	-1.0	-47.77	399.07	7.72	-40.05
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300008138819	0	49	-1.0	-49.27	411.84	6.48	-42.79
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300008138820	0	61	-1.0	-42.41	445.04	10.22	-32.19
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300008138821	0	50	-1.0	-48.10	396.22	7.74	-40.36
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008138822	0	37	-1.0	-56.65	335.25	6.51	-50.14
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300008138823	0	44	-1.0	-46.08	354.93	6.13	-39.95
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)N(CCOC)CCOC	REAL300008138829	0	46	-1.0	-48.75	348.56	1.63	-47.12
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300008138830	0	37	-1.0	-43.06	312.69	5.93	-37.13
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300008138831	0	44	-1.0	-53.61	353.12	5.62	-47.99
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300008138832	0	50	-1.0	-48.02	404.96	6.64	-41.38
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008138833	0	48	-1.0	-49.40	386.83	6.49	-42.91
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300008138834	0	47	-1.0	-48.12	386.00	6.04	-42.08
CCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)CC(=O)[O-])C=C1	REAL300008138835	0	44	-1.0	-48.16	365.90	5.34	-42.82
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300008138836	0	38	-1.0	-55.10	325.09	4.59	-50.51
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008138837	0	38	-1.0	-54.06	334.86	4.86	-49.20
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300008138838	0	41	-1.0	-54.41	329.08	4.78	-49.63
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1C	REAL300008138840	0	41	-1.0	-45.89	325.33	4.71	-41.18
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300008138841	0	45	-1.0	-50.00	378.02	3.81	-46.19
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1F	REAL300008138842	0	37	-1.0	-50.34	321.66	5.08	-45.26
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1C	REAL300008138843	0	37	-1.0	-41.67	316.81	5.94	-35.73
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300008138844	0	42	-1.0	-60.40	332.28	7.65	-52.75
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300008138845	0	43	-1.0	-56.62	356.92	2.94	-53.68
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC	REAL300008138848	0	42	-1.0	-49.36	343.95	2.31	-47.05
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N=C(C)S1	REAL300008138849	0	36	-1.0	-53.43	303.95	3.28	-50.15
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008138850	0	37	-1.0	-47.26	316.94	6.08	-41.18
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300008138851	0	38	-1.0	-51.79	315.31	4.11	-47.68
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008138852	0	44	-1.0	-58.09	353.72	8.14	-49.95
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008138853	0	37	-1.0	-48.88	349.81	6.06	-42.82
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300008138854	0	40	-1.0	-50.61	373.21	4.90	-45.71
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008138855	0	54	-1.0	-48.00	427.63	7.93	-40.07
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300008138856	0	42	-1.0	-63.58	331.11	6.51	-57.07
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300008138857	0	42	-1.0	-55.99	343.64	2.29	-53.70
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300008138858	0	44	-1.0	-43.33	341.18	5.29	-38.04
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008138859	0	45	-1.0	-55.35	363.75	8.83	-46.52
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300008138861	0	42	-1.0	-54.19	322.10	5.67	-48.52
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008138862	0	39	-1.0	-46.59	326.85	4.99	-41.60
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300008138863	0	47	-1.0	-59.31	379.33	8.57	-50.74
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008138869	0	37	-1.0	-71.54	308.11	3.85	-67.69
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008138872	0	37	-1.0	-58.63	309.75	5.61	-53.02
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21	REAL300008138873	0	47	-1.0	-46.01	376.80	7.06	-38.95
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008138875	0	39	-1.0	-68.71	327.89	4.89	-63.82
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008138876	0	41	-1.0	-53.66	340.12	5.71	-47.95
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CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)CC(=O)[O-])C=C1	REAL300008138878	0	50	-1.0	-48.03	408.90	6.90	-41.13
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008138879	0	44	-1.0	-47.05	336.51	7.16	-39.89
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008138880	0	40	-1.0	-55.14	340.97	6.14	-49.00
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008138881	0	38	-1.0	-48.71	349.39	5.79	-42.92
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300008138882	0	39	-1.0	-54.16	315.51	4.04	-50.12
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008138883	0	42	-1.0	-55.03	356.13	5.58	-49.45
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008138884	0	40	-1.0	-50.10	311.19	0.76	-49.34
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008138992	0	44	-1.0	-52.99	350.40	7.89	-45.10
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C	REAL300008138993	0	47	-1.0	-46.28	367.81	6.04	-40.24
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008138994	0	40	-1.0	-46.56	364.27	6.19	-40.37
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008138995	1	36	-1.0	-67.78	304.67	4.53	-63.25
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300008138996	0	43	-1.0	-47.43	342.41	7.75	-39.68
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300008138997	0	43	-1.0	-52.18	348.95	3.19	-48.99
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1OC	REAL300008138998	0	38	-1.0	-47.04	318.59	4.56	-42.48
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1	REAL300008138999	0	50	-1.0	-54.91	389.48	6.97	-47.94
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300008139000	0	46	-1.0	-52.09	357.81	6.99	-45.10
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140252	0	38	-1.0	-42.97	304.36	4.37	-38.60
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140253	0	45	-1.0	-41.78	365.24	4.70	-37.08
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008140254	0	45	-1.0	-43.37	369.11	1.24	-42.13
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008140255	0	52	-1.0	-39.62	360.46	6.44	-33.18
CC1=NC2=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300008140256	0	42	-1.0	-47.86	328.83	6.01	-41.85
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008140257	0	42	-1.0	-47.24	339.50	6.32	-40.92
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008140258	0	45	-1.0	-43.65	360.61	2.51	-41.14
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140259	0	48	-1.0	-42.00	397.16	5.79	-36.21
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140260	0	48	-1.0	-44.04	393.60	5.84	-38.20
CCCN1C=NC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140261	0	40	-1.0	-48.23	319.40	6.16	-42.07
COCCOCCOCCS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140262	0	48	-1.0	-47.96	389.57	1.33	-46.63
CC(COC1CCCC1)CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140263	0	50	-1.0	-39.79	381.41	5.36	-34.43
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140264	0	41	-1.0	-40.95	345.43	4.59	-36.36
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008140265	0	42	-1.0	-44.68	341.53	1.78	-42.90
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140266	0	38	-1.0	-41.34	327.61	4.19	-37.15
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008140267	0	38	-1.0	-55.87	318.54	4.80	-51.07
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300008140268	0	40	-1.0	-42.54	338.33	4.80	-37.74
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140269	0	40	-1.0	-37.81	328.79	6.06	-31.75
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140270	0	40	-1.0	-37.38	328.58	6.10	-31.28
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300008140271	0	40	-1.0	-39.53	331.26	5.80	-33.73
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140272	0	43	-1.0	-40.05	330.73	5.84	-34.21
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCCN1CCOCC1	REAL300008140273	0	46	-1.0	-40.29	348.06	1.39	-38.90
CCOC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140274	0	41	-1.0	-44.71	327.84	4.45	-40.26
COCCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=N1	REAL300008140275	0	41	-1.0	-45.00	343.19	1.59	-43.41
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008140276	0	41	-1.0	-45.85	347.18	4.60	-41.25
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008140277	0	42	-1.0	-41.50	348.52	6.45	-35.05
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008140278	0	39	-1.0	-45.57	318.05	4.62	-40.95
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008140279	0	37	-1.0	-41.23	325.89	5.31	-35.92
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300008140280	0	37	-1.0	-44.72	321.42	5.36	-39.36
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008140281	0	41	-1.0	-54.40	340.26	2.24	-52.16
CC1=CC(Br)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140282	0	37	-1.0	-40.91	318.33	5.65	-35.26
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140283	0	37	-1.0	-39.35	306.88	5.39	-33.96
COCC1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140284	0	41	-1.0	-42.53	320.66	4.24	-38.29
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1Br	REAL300008140285	0	38	-1.0	-40.84	326.40	4.20	-36.64
COC1=CC(OC)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300008140286	0	42	-1.0	-59.10	347.86	4.32	-54.78
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008140287	0	37	-1.0	-42.72	327.45	3.03	-39.69
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008140288	0	37	-1.0	-43.94	321.42	2.86	-41.08
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008140289	0	45	-1.0	-44.45	353.93	5.49	-38.96
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008140290	0	37	-1.0	-42.88	310.13	3.35	-39.53
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140291	0	45	-1.0	-42.16	328.35	2.09	-40.07
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140292	0	46	-1.0	-51.44	386.29	3.21	-48.23
CSC1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140293	0	38	-1.0	-59.61	310.38	5.51	-54.10
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008140294	0	42	-1.0	-45.87	355.23	0.97	-44.90
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140295	0	48	-1.0	-47.96	401.97	1.85	-46.11
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300008140296	0	45	-1.0	-48.66	356.44	4.32	-44.34
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1F	REAL300008140297	0	45	-1.0	-45.16	376.36	2.04	-43.12
CCC1=CC=C(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140298	0	43	-1.0	-43.25	347.74	6.17	-37.08
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CS1	REAL300008140299	0	37	-1.0	-41.51	316.58	4.61	-36.90
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008140300	0	49	-1.0	-45.50	390.23	4.67	-40.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008140301	0	46	-1.0	-47.59	363.53	4.53	-43.06
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140302	0	43	-1.0	-53.47	358.65	2.64	-50.83
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140303	0	44	-1.0	-46.28	357.24	1.78	-44.50
CC1=CC=C(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008140304	0	43	-1.0	-44.20	343.01	5.90	-38.30
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Br	REAL300008140305	0	41	-1.0	-41.01	348.24	5.13	-35.88
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300008140306	0	48	-1.0	-44.95	383.74	7.43	-37.52
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008140307	0	38	-1.0	-55.44	328.87	5.25	-50.19
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140308	0	41	-1.0	-44.92	344.98	4.86	-40.06
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCOC(C)(C)C1	REAL300008140309	0	43	-1.0	-41.06	319.82	2.97	-38.09
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008140310	0	48	-1.0	-45.39	389.81	6.23	-39.16
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140311	0	41	-1.0	-43.33	337.51	5.47	-37.86
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300008140312	0	46	-1.0	-44.58	366.31	5.91	-38.67
CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140313	0	41	-1.0	-48.20	344.88	-1.21	-49.41
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300008140314	0	40	-1.0	-46.33	334.47	6.03	-40.30
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008140315	0	37	-1.0	-40.88	331.86	6.40	-34.48
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300008140316	0	40	-1.0	-40.11	343.34	7.10	-33.01
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008140317	0	37	-1.0	-41.21	328.05	6.04	-35.17
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008140318	0	40	-1.0	-45.11	338.13	6.73	-38.38
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008140319	0	40	-1.0	-41.90	343.81	5.84	-36.06
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008140320	0	45	-1.0	-43.08	356.19	5.63	-37.45
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008140321	0	48	-1.0	-42.02	378.60	7.61	-34.41
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008140322	0	47	-1.0	-44.37	390.17	5.64	-38.73
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008140323	0	45	-1.0	-46.58	381.10	1.08	-45.50
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300008140324	0	43	-1.0	-44.17	354.25	7.06	-37.11
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1N(C)C	REAL300008140325	0	45	-1.0	-43.82	357.45	4.71	-39.11
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300008140326	0	40	-1.0	-42.55	342.54	5.96	-36.59
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008140327	0	39	-1.0	-47.16	306.74	1.24	-45.92
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCOCC1CCCC1	REAL300008140328	0	47	-1.0	-43.10	365.84	4.48	-38.62
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300008140329	0	41	-1.0	-39.29	338.98	4.47	-34.82
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008140330	0	43	-1.0	-49.61	359.49	2.50	-47.11
CSC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300008140331	0	38	-1.0	-40.60	330.60	5.83	-34.77
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140332	0	46	-1.0	-46.34	350.88	4.72	-41.62
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008140333	0	42	-1.0	-44.66	347.69	2.77	-41.89
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C12	REAL300008140334	0	41	-1.0	-43.76	338.16	1.97	-41.79
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008140335	0	45	-1.0	-45.96	371.96	4.17	-41.79
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008140336	0	39	-1.0	-46.41	327.01	3.06	-43.35
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(CC)=C1	REAL300008140337	0	52	-1.0	-40.79	377.13	8.94	-31.85
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008140338	0	41	-1.0	-49.60	329.81	4.04	-45.56
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008140339	0	40	-1.0	-39.64	345.46	2.33	-37.31
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008140340	0	43	-1.0	-42.53	347.55	7.64	-34.89
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1F	REAL300008140341	0	41	-1.0	-44.38	323.33	4.21	-40.17
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C)CCCCC1	REAL300008140342	0	46	-1.0	-40.70	324.88	5.80	-34.90
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008140343	0	43	-1.0	-42.67	332.76	5.58	-37.09
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008140345	0	42	-1.0	-46.42	352.20	5.21	-41.21
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140346	0	41	-1.0	-41.15	348.68	4.52	-36.63
CC1=CC=C(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300008140347	0	40	-1.0	-45.08	331.63	5.50	-39.58
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008140349	0	34	-1.0	-38.23	315.95	4.27	-33.96
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008140350	0	47	-1.0	-42.28	369.78	7.33	-34.95
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008140351	0	45	-1.0	-45.80	356.99	5.02	-40.78
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008140352	0	43	-1.0	-46.14	341.98	1.15	-44.99
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008140353	0	37	-1.0	-43.48	314.58	4.80	-38.68
CC1=C(CCS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)SC=N1	REAL300008140354	0	39	-1.0	-42.39	324.27	3.52	-38.87
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300008140355	0	44	-1.0	-41.59	329.80	5.46	-36.13
COC1=CC=C2C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)CCC2=C1	REAL300008140356	0	46	-1.0	-44.22	360.07	5.89	-38.33
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)CC2	REAL300008140357	0	47	-1.0	-41.59	338.56	6.09	-35.50
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008140358	0	45	-1.0	-53.12	354.34	1.14	-51.98
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CCCCC1(F)F	REAL300008140359	0	43	-1.0	-45.28	333.67	5.20	-40.08
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008140360	0	41	-1.0	-42.67	326.92	6.44	-36.23
CCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008140361	0	42	-1.0	-41.42	345.18	5.83	-35.59
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008140362	0	34	-1.0	-39.89	299.36	4.51	-35.38
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008140363	0	34	-1.0	-39.85	303.93	4.61	-35.24
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008140364	0	36	-1.0	-39.88	311.05	4.73	-35.15
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008140365	0	40	-1.0	-44.38	321.53	6.65	-37.73
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008140366	0	36	-1.0	-44.79	310.88	4.65	-40.14
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140367	0	39	-1.0	-37.62	322.80	5.47	-32.15
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140368	0	38	-1.0	-43.66	312.30	3.35	-40.31
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008140369	0	36	-1.0	-50.10	296.77	5.48	-44.62
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140370	0	41	-1.0	-40.50	346.56	6.02	-34.48
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140371	0	41	-1.0	-42.97	334.17	4.28	-38.69
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1C	REAL300008140372	0	46	-1.0	-42.04	335.16	6.73	-35.31
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300008140373	0	43	-1.0	-42.54	331.38	6.28	-36.26
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140374	0	49	-1.0	-40.62	365.23	7.51	-33.11
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008140375	0	37	-1.0	-41.88	321.40	4.98	-36.90
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008140376	0	37	-1.0	-41.29	296.29	5.54	-35.75
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008140377	0	34	-1.0	-40.45	293.21	4.75	-35.70
CC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140378	0	39	-1.0	-46.08	323.20	4.45	-41.63
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008140379	0	40	-1.0	-42.35	331.04	5.12	-37.23
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300008140380	0	46	-1.0	-43.30	359.04	6.38	-36.92
CC(C)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140381	0	43	-1.0	-42.99	343.00	5.99	-37.00
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300008140382	0	45	-1.0	-48.65	379.15	2.02	-46.63
CCCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140383	0	43	-1.0	-42.62	347.21	6.28	-36.34
COC1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140384	0	38	-1.0	-59.96	302.37	4.46	-55.50
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Br	REAL300008140385	0	38	-1.0	-41.06	326.39	4.20	-36.86
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1Br	REAL300008140386	0	37	-1.0	-39.85	316.34	5.46	-34.39
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C2)=C1	REAL300008140387	0	48	-1.0	-45.15	387.14	7.76	-37.39
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008140388	0	38	-1.0	-39.48	328.60	3.78	-35.70
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1C	REAL300008140389	0	49	-1.0	-44.14	356.70	7.15	-36.99
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008140390	0	43	-1.0	-46.70	345.59	4.00	-42.70
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140391	0	50	-1.0	-44.28	372.72	6.56	-37.72
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008140392	0	39	-1.0	-40.32	319.88	5.57	-34.75
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140393	0	38	-1.0	-42.30	319.25	4.92	-37.38
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140394	0	52	-1.0	-42.85	386.18	7.94	-34.91
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008140395	0	37	-1.0	-39.64	321.58	5.06	-34.58
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008140396	0	44	-1.0	-43.83	339.55	6.76	-37.07
COC1=CC=C(OC)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140397	0	42	-1.0	-60.59	343.06	3.23	-57.36
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1OC	REAL300008140398	0	42	-1.0	-44.38	334.13	3.57	-40.81
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008140399	0	41	-1.0	-43.55	322.40	6.19	-37.36
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008140400	0	42	-1.0	-43.01	329.04	6.72	-36.29
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008140401	0	39	-1.0	-44.85	318.57	3.83	-41.02
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140402	0	49	-1.0	-42.50	386.27	7.56	-34.94
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1OCC	REAL300008140403	0	48	-1.0	-44.64	378.01	5.42	-39.22
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008140404	0	39	-1.0	-48.54	336.87	-1.06	-49.60
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1C	REAL300008140405	0	42	-1.0	-45.48	338.30	5.96	-39.52
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1C	REAL300008140406	0	42	-1.0	-37.74	335.11	6.29	-31.45
CC1=CC2=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C2N=C1	REAL300008140407	0	42	-1.0	-49.87	342.22	5.33	-44.54
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300008140408	0	40	-1.0	-49.15	321.52	4.96	-44.19
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140409	0	38	-1.0	-55.27	317.72	5.04	-50.23
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008140410	0	39	-1.0	-49.86	330.66	-0.81	-50.67
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008140411	0	46	-1.0	-46.63	385.51	2.08	-44.55
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300008140412	0	42	-1.0	-43.60	336.11	6.29	-37.31
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008140413	0	43	-1.0	-40.80	328.67	4.89	-35.91
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300008140414	0	42	-1.0	-45.29	331.48	5.40	-39.89
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008140415	0	42	-1.0	-49.01	330.21	6.83	-42.18
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300008140416	0	45	-1.0	-51.09	377.41	2.02	-49.07
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008140417	0	46	-1.0	-48.67	363.56	3.60	-45.07
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008140418	0	40	-1.0	-54.89	343.36	1.50	-53.39
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008140419	0	44	-1.0	-43.97	339.00	8.20	-35.77
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CC(C)CC(C)C1	REAL300008140420	0	45	-1.0	-39.34	323.46	4.40	-34.94
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008140421	0	40	-1.0	-44.03	315.50	6.62	-37.41
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008140422	0	44	-1.0	-44.98	356.94	7.47	-37.51
CC1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140423	0	37	-1.0	-38.02	296.25	5.16	-32.86
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300008140424	0	48	-1.0	-44.11	368.95	6.48	-37.63
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008140425	0	35	-1.0	-57.79	298.53	2.74	-55.05
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140426	0	38	-1.0	-42.33	314.68	4.81	-37.52
COC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140427	0	38	-1.0	-44.48	304.90	3.66	-40.82
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140428	0	49	-1.0	-43.32	373.26	6.85	-36.47
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300008140429	0	37	-1.0	-41.42	310.87	5.47	-35.95
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140430	0	44	-1.0	-43.13	351.58	4.88	-38.25
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008140431	0	37	-1.0	-41.28	321.33	5.21	-36.07
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008140432	0	35	-1.0	-46.35	291.76	2.83	-43.52
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008140433	0	39	-1.0	-44.35	330.80	6.67	-37.68
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008140434	0	39	-1.0	-48.06	309.57	5.38	-42.68
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008140435	0	45	-1.0	-47.56	388.13	7.38	-40.18
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140436	0	40	-1.0	-52.52	329.47	5.26	-47.26
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1F	REAL300008140437	0	38	-1.0	-42.43	318.36	3.36	-39.07
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1F	REAL300008140438	0	37	-1.0	-42.41	303.21	4.94	-37.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008140439	0	45	-1.0	-42.25	387.43	7.35	-34.90
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C2)C=C1	REAL300008140440	0	49	-1.0	-45.18	400.37	6.15	-39.03
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300008140441	0	61	-1.0	-43.65	441.23	9.78	-33.87
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008140442	0	50	-1.0	-45.59	385.71	7.46	-38.13
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008140443	0	37	-1.0	-38.97	336.77	5.69	-33.28
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008140444	0	44	-1.0	-45.60	344.55	5.82	-39.78
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140445	0	39	-1.0	-38.40	322.46	5.45	-32.95
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140446	0	39	-1.0	-43.40	312.78	5.56	-37.84
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140447	0	42	-1.0	-37.11	335.40	6.70	-30.41
CC(C)CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140448	0	46	-1.0	-42.36	363.84	6.68	-35.68
COCCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140449	0	44	-1.0	-42.77	359.19	4.50	-38.27
COCCN(CCOC)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140450	0	46	-1.0	-39.05	351.16	1.71	-37.34
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140451	0	37	-1.0	-37.79	306.56	5.62	-32.17
COC1=C(C)C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008140452	0	44	-1.0	-44.73	356.24	4.88	-39.85
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140453	0	50	-1.0	-42.65	394.74	6.38	-36.27
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008140454	0	48	-1.0	-43.56	376.80	6.27	-37.29
CC(C)COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140455	0	47	-1.0	-42.76	375.77	5.78	-36.98
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140456	0	44	-1.0	-42.76	355.67	5.08	-37.68
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300008140457	0	38	-1.0	-41.07	321.99	4.10	-36.97
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008140458	0	38	-1.0	-42.82	330.66	4.49	-38.33
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008140459	0	41	-1.0	-42.90	326.34	4.33	-38.57
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300008140460	0	47	-1.0	-43.44	366.43	5.89	-37.55
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300008140461	0	41	-1.0	-42.60	324.03	4.09	-38.51
COCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140462	0	45	-1.0	-46.05	367.80	3.55	-42.50
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1F	REAL300008140463	0	37	-1.0	-47.18	310.21	4.83	-42.35
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140464	0	37	-1.0	-38.01	310.99	5.62	-32.39
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1C	REAL300008140465	0	42	-1.0	-49.12	326.89	7.08	-42.04
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140466	0	43	-1.0	-48.73	349.72	2.71	-46.02
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008140467	0	46	-1.0	-48.01	391.67	1.84	-46.17
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140468	0	42	-1.0	-48.54	359.24	0.16	-48.38
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140469	0	42	-1.0	-47.15	330.86	2.88	-44.27
CC1=NC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S1	REAL300008140470	0	36	-1.0	-43.37	308.94	2.66	-40.71
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008140471	0	37	-1.0	-42.20	311.27	5.52	-36.68
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1F	REAL300008140472	0	38	-1.0	-41.43	312.20	3.60	-37.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008140473	0	44	-1.0	-45.26	350.69	7.64	-37.62
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008140474	0	37	-1.0	-38.20	332.62	6.02	-32.18
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S2)=CS1	REAL300008140475	0	40	-1.0	-45.97	362.81	4.63	-41.34
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008140476	0	54	-1.0	-43.60	417.39	7.67	-35.93
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140477	0	42	-1.0	-62.93	334.41	5.93	-57.00
CNC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CN1C	REAL300008140478	0	42	-1.0	-47.06	347.40	1.69	-45.37
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300008140479	0	44	-1.0	-43.59	339.41	4.91	-38.68
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008140480	0	45	-1.0	-46.06	361.05	8.40	-37.66
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008140481	0	44	-1.0	-41.37	338.99	5.11	-36.26
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300008140482	0	42	-1.0	-45.75	328.44	5.22	-40.53
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008140483	0	39	-1.0	-45.42	311.94	4.74	-40.68
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300008140484	0	47	-1.0	-48.87	382.59	7.85	-41.02
CCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300008140485	0	39	-1.0	-53.60	325.62	4.60	-49.00
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008140486	0	41	-1.0	-41.89	353.74	4.74	-37.15
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008140487	0	48	-1.0	-44.91	394.09	7.33	-37.58
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140488	0	42	-1.0	-48.86	339.58	5.50	-43.36
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008140489	0	44	-1.0	-44.25	363.69	5.80	-38.45
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008140490	0	37	-1.0	-54.43	310.16	3.16	-51.27
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140491	0	56	-1.0	-39.22	404.26	7.50	-31.72
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300008140492	0	42	-1.0	-47.41	355.97	0.76	-46.65
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008140493	0	37	-1.0	-41.00	305.21	5.06	-35.94
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008140494	0	47	-1.0	-45.50	366.41	6.74	-38.76
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140495	0	44	-1.0	-44.38	340.81	6.07	-38.31
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008140496	0	39	-1.0	-47.21	331.00	4.15	-43.06
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008140497	0	41	-1.0	-48.14	338.10	5.34	-42.80
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140498	0	48	-1.0	-46.22	389.65	4.52	-41.70
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140499	0	50	-1.0	-42.66	398.67	6.64	-36.02
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008140500	0	44	-1.0	-41.59	329.55	6.70	-34.89
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008140501	0	40	-1.0	-45.11	329.52	5.89	-39.22
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008140502	0	38	-1.0	-39.31	338.99	5.45	-33.86
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300008140503	0	39	-1.0	-41.31	312.77	3.58	-37.73
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008140504	0	42	-1.0	-53.63	338.69	5.54	-48.09
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008140505	0	40	-1.0	-51.06	322.10	0.89	-50.17
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008140506	0	39	-1.0	-46.33	331.07	4.19	-42.14
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300008140507	0	44	-1.0	-42.01	340.35	5.41	-36.60
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140508	0	42	-1.0	-41.34	353.26	0.43	-40.91
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008140509	0	38	-1.0	-44.48	319.03	4.51	-39.97
CSC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140510	0	38	-1.0	-43.37	323.00	5.08	-38.29
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008140511	0	40	-1.0	-40.60	337.53	5.98	-34.62
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140512	0	45	-1.0	-39.80	343.55	6.50	-33.30
CCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)N=C1C	REAL300008140513	0	40	-1.0	-48.13	323.98	3.96	-44.17
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008140514	0	40	-1.0	-57.52	328.57	3.79	-53.73
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008140515	0	39	-1.0	-44.59	311.33	4.57	-40.02
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008140516	0	46	-1.0	-45.96	375.52	5.95	-40.01
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300008140517	0	40	-1.0	-42.64	337.06	5.50	-37.14
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008140518	0	40	-1.0	-45.46	356.45	4.75	-40.71
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008140519	0	43	-1.0	-43.70	347.44	5.58	-38.12
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C12	REAL300008140520	0	42	-1.0	-46.43	341.92	4.07	-42.36
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140521	0	41	-1.0	-44.96	343.70	4.89	-40.07
COCC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140522	0	41	-1.0	-42.53	331.56	3.95	-38.58
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300008140523	0	45	-1.0	-44.79	340.81	5.48	-39.31
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300008140524	0	37	-1.0	-45.05	318.11	5.15	-39.90
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300008140525	0	46	-1.0	-55.62	379.32	2.58	-53.04
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008140526	0	41	-1.0	-40.29	350.85	4.52	-35.77
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008140527	0	42	-1.0	-48.44	335.55	5.00	-43.44
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008140528	0	37	-1.0	-45.58	331.89	5.64	-39.94
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300008140529	0	42	-1.0	-44.87	339.57	4.57	-40.30
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140530	0	46	-1.0	-40.24	332.46	7.60	-32.64
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140531	0	46	-1.0	-39.31	362.42	3.11	-36.20
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008140532	0	45	-1.0	-43.36	382.14	7.53	-35.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008140533	0	40	-1.0	-48.30	344.14	5.00	-43.30
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008140534	0	40	-1.0	-44.67	360.86	5.52	-39.15
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C2)=CO1	REAL300008140535	0	43	-1.0	-49.29	359.03	3.06	-46.23
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008140536	0	37	-1.0	-54.15	307.58	3.19	-50.96
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008140537	0	37	-1.0	-47.59	313.79	4.52	-43.07
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008140538	0	37	-1.0	-44.78	301.61	3.03	-41.75
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=N1	REAL300008140539	0	37	-1.0	-42.11	309.86	0.65	-41.46
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCN12	REAL300008140540	0	38	-1.0	-51.87	294.92	3.61	-48.26
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008140541	0	42	-1.0	-44.14	336.36	4.62	-39.52
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300008140542	0	41	-1.0	-41.50	311.82	5.88	-35.62
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=N2)C=C1	REAL300008140543	0	44	-1.0	-48.35	365.40	5.76	-42.59
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300008140544	0	42	-1.0	-41.79	350.27	5.35	-36.44
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300008140545	0	39	-1.0	-39.60	319.92	5.56	-34.04
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=N1	REAL300008140546	0	45	-1.0	-50.84	371.19	4.72	-46.12
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008140547	0	36	-1.0	-45.24	307.63	3.82	-41.42
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300008140548	0	42	-1.0	-45.09	335.35	4.48	-40.61
CC1=CC2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C2C=C1	REAL300008140549	0	43	-1.0	-44.70	342.88	7.30	-37.40
COC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)SC=C1	REAL300008140550	0	35	-1.0	-65.64	288.47	2.30	-63.34
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300008140551	0	42	-1.0	-43.99	327.83	4.62	-39.37
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008140552	0	39	-1.0	-45.65	305.79	4.27	-41.38
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008140553	0	39	-1.0	-47.97	328.06	4.13	-43.84
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008140554	0	39	-1.0	-46.62	312.66	4.12	-42.50
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008140555	0	40	-1.0	-40.18	337.03	6.30	-33.88
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300008140556	0	46	-1.0	-46.37	350.96	4.79	-41.58
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008140557	0	36	-1.0	-39.61	317.40	3.19	-36.42
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140558	0	42	-1.0	-49.06	334.89	4.54	-44.52
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140559	0	42	-1.0	-43.32	333.00	6.37	-36.95
CC1=CC=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300008140560	0	42	-1.0	-49.52	329.65	7.01	-42.51
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008140561	0	42	-1.0	-38.09	341.09	6.09	-32.00
COC1=CC=C(CCS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140562	0	44	-1.0	-43.45	355.85	4.82	-38.63
COC1=CN=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140563	0	37	-1.0	-43.24	300.19	1.81	-41.43
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300008140564	0	43	-1.0	-42.80	356.44	5.73	-37.07
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008140565	0	41	-1.0	-43.08	331.89	6.10	-36.98
COC1=CC(OC)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140566	0	42	-1.0	-45.77	335.47	2.84	-42.93
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1CCCCC1	REAL300008140567	0	46	-1.0	-40.87	346.88	5.65	-35.22
CC1=CC=C(CCS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140568	0	43	-1.0	-42.13	341.71	6.46	-35.67
CC1=CC2=C(C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)OCO2	REAL300008140569	0	40	-1.0	-40.56	315.62	3.73	-36.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008140570	0	37	-1.0	-59.03	301.59	4.98	-54.05
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300008140571	0	38	-1.0	-40.86	322.01	4.09	-36.77
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300008140572	0	40	-1.0	-52.24	325.06	5.61	-46.63
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300008140573	0	42	-1.0	-48.08	332.09	5.70	-42.38
CC1=NC2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C2O1	REAL300008140574	0	39	-1.0	-46.88	320.45	1.94	-44.94
CCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1CC	REAL300008140575	0	46	-1.0	-43.05	353.96	6.86	-36.19
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140576	0	42	-1.0	-39.62	338.20	6.29	-33.33
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140577	0	44	-1.0	-44.02	337.29	6.09	-37.93
CC1=C(C)SC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140578	0	37	-1.0	-42.76	315.53	4.41	-38.35
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300008140579	0	35	-1.0	-39.30	298.16	1.58	-37.72
CCC1=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S1	REAL300008140580	0	36	-1.0	-43.15	313.60	2.68	-40.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300008140581	0	41	-1.0	-44.16	324.94	4.03	-40.13
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S1	REAL300008140582	0	37	-1.0	-41.66	312.27	4.69	-36.97
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008140583	0	40	-1.0	-47.90	326.61	5.83	-42.07
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008140584	0	37	-1.0	-43.14	295.24	3.06	-40.08
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC(C)=C1F	REAL300008140585	0	40	-1.0	-41.33	329.66	5.33	-36.00
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008140586	0	41	-1.0	-45.36	332.81	4.03	-41.33
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008140587	0	47	-1.0	-41.83	381.87	5.57	-36.26
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300008140588	0	38	-1.0	-46.31	301.44	3.89	-42.42
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008140589	0	36	-1.0	-60.00	304.43	4.02	-55.98
CC1=NC(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CS1	REAL300008140590	0	36	-1.0	-45.07	311.19	2.38	-42.69
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008140591	0	37	-1.0	-40.32	321.59	5.24	-35.08
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300008140592	0	37	-1.0	-39.81	312.30	5.37	-34.44
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008140593	0	40	-1.0	-46.11	324.92	5.26	-40.85
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C2)=N1	REAL300008140594	0	43	-1.0	-43.77	363.05	5.75	-38.02
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008140595	0	42	-1.0	-60.47	325.47	6.00	-54.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008140596	0	41	-1.0	-46.16	341.99	2.14	-44.02
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008140597	0	43	-1.0	-46.77	330.15	4.93	-41.84
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008140598	0	37	-1.0	-41.51	318.67	5.52	-35.99
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140599	0	59	-1.0	-42.54	463.11	8.99	-33.55
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140600	0	47	-1.0	-45.26	368.00	5.96	-39.30
COC(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C1CCCC1	REAL300008140601	0	47	-1.0	-41.58	351.68	4.74	-36.84
COC(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C1CCCCC1	REAL300008140602	0	50	-1.0	-41.92	371.51	4.80	-37.12
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008140603	0	48	-1.0	-43.91	400.13	7.34	-36.57
CCOC(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C1CC1	REAL300008140604	0	44	-1.0	-41.29	338.66	4.55	-36.74
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300008140605	0	53	-1.0	-42.91	407.94	7.28	-35.63
CCC1=NC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CN1CC1CC1	REAL300008140606	0	47	-1.0	-51.19	369.55	7.43	-43.76
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008140607	0	37	-1.0	-44.19	323.35	3.60	-40.59
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300008140608	0	42	-1.0	-45.53	337.80	6.61	-38.92
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300008140609	0	41	-1.0	-44.04	327.51	3.80	-40.24
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008140610	0	47	-1.0	-43.95	380.11	6.83	-37.12
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300008140611	0	37	-1.0	-41.14	324.83	2.75	-38.39
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008140612	0	45	-1.0	-43.71	376.98	8.51	-35.20
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008140613	0	44	-1.0	-47.52	341.52	7.58	-39.94
CCC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300008140614	0	47	-1.0	-41.37	360.49	5.85	-35.52
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008140615	0	40	-1.0	-39.47	354.05	5.93	-33.54
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008140616	1	36	-1.0	-46.51	295.11	2.55	-43.96
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300008140617	0	43	-1.0	-45.17	326.15	7.25	-37.92
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=N1	REAL300008140618	0	43	-1.0	-42.47	346.03	2.79	-39.68
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140619	0	38	-1.0	-45.26	309.18	4.84	-40.42
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300008140620	0	50	-1.0	-43.18	386.44	6.48	-36.70
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300008140621	0	46	-1.0	-42.91	354.71	6.48	-36.43
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008140622	0	53	-1.0	-42.72	406.44	8.51	-34.21
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2CCCCC2=NN1C	REAL300008140623	0	44	-1.0	-45.36	332.21	4.45	-40.91
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300008140624	0	46	-1.0	-42.07	348.18	4.32	-37.75
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008140625	0	44	-1.0	-44.82	345.09	4.60	-40.22
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300008140626	0	37	-1.0	-41.73	305.59	3.12	-38.61
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140627	0	41	-1.0	-45.42	333.37	4.44	-40.98
C=CCCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140628	0	44	-1.0	-42.42	359.83	6.77	-35.65
CCC1=NN(C)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140629	0	40	-1.0	-46.13	321.67	3.08	-43.05
CCCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300008140630	0	56	-1.0	-43.99	435.58	7.82	-36.17
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008140631	0	38	-1.0	-41.91	333.81	5.82	-36.09
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300008140632	0	56	-1.0	-43.86	426.84	7.76	-36.10
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1CC	REAL300008140633	0	50	-1.0	-42.52	390.08	6.89	-35.63
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140634	0	40	-1.0	-39.71	326.69	6.12	-33.59
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140635	0	40	-1.0	-39.51	333.77	6.40	-33.11
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008140636	0	38	-1.0	-44.15	331.11	5.72	-38.43
CCCC1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140637	0	43	-1.0	-40.15	328.13	6.63	-33.52
COC1=NC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140638	0	37	-1.0	-44.45	294.71	1.50	-42.95
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140639	0	50	-1.0	-45.49	394.07	6.74	-38.75
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008140640	0	39	-1.0	-46.69	311.85	4.65	-42.04
CC1=CSC(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140641	0	37	-1.0	-40.71	305.21	4.57	-36.14
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008140642	0	41	-1.0	-44.68	327.52	3.92	-40.76
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300008140643	0	41	-1.0	-53.78	328.02	3.95	-49.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008140644	0	44	-1.0	-43.11	344.11	5.13	-37.98
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300008140645	0	45	-1.0	-46.95	344.78	2.36	-44.59
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008140646	0	40	-1.0	-46.47	350.40	4.99	-41.48
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300008140647	0	41	-1.0	-48.90	322.22	3.85	-45.05
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300008140648	0	59	-1.0	-44.05	457.28	8.67	-35.38
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008140649	0	50	-1.0	-40.60	373.34	6.27	-34.33
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140650	0	44	-1.0	-43.11	343.77	6.08	-37.03
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2OC(C)CC2=CC=C1	REAL300008140651	0	42	-1.0	-61.25	328.84	4.90	-56.35
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300008140652	0	42	-1.0	-44.21	352.30	3.75	-40.46
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008140653	0	40	-1.0	-45.26	322.75	4.80	-40.46
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140654	0	39	-1.0	-54.94	321.12	3.47	-51.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008140655	0	43	-1.0	-41.14	326.75	4.28	-36.86
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300008140656	0	38	-1.0	-42.64	323.71	4.68	-37.96
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008140657	0	35	-1.0	-39.39	297.61	2.82	-36.57
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008140658	0	37	-1.0	-44.94	322.10	5.53	-39.41
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300008140659	0	41	-1.0	-45.90	331.55	3.64	-42.26
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1F	REAL300008140660	0	43	-1.0	-43.48	335.72	6.24	-37.24
COC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1OC	REAL300008140661	0	42	-1.0	-47.43	332.62	4.28	-43.15
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300008140662	0	37	-1.0	-44.74	305.15	4.43	-40.31
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300008140663	0	47	-1.0	-55.64	362.64	5.19	-50.45
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140664	0	46	-1.0	-45.42	358.73	4.57	-40.85
CCCCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=N1	REAL300008140665	0	46	-1.0	-46.50	364.45	4.80	-41.70
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300008140666	0	41	-1.0	-54.75	338.59	4.02	-50.73
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008140667	0	38	-1.0	-44.64	321.87	3.57	-41.07
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300008140668	0	39	-1.0	-49.41	313.73	2.83	-46.58
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Br	REAL300008140669	0	40	-1.0	-38.55	328.96	6.42	-32.13
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCC(C)(C)C1	REAL300008140670	0	45	-1.0	-57.27	324.34	5.14	-52.13
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008140671	0	40	-1.0	-40.15	344.36	5.32	-34.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300008140672	0	44	-1.0	-46.49	351.03	4.15	-42.34
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140673	0	52	-1.0	-39.40	383.77	7.93	-31.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008140674	0	40	-1.0	-41.70	353.87	5.86	-35.84
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008140675	0	44	-1.0	-47.70	351.51	4.88	-42.82
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008140676	0	38	-1.0	-43.41	305.82	5.43	-37.98
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008140677	0	45	-1.0	-41.85	378.78	7.30	-34.55
COC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300008140678	0	43	-1.0	-54.14	346.50	5.44	-48.70
CCCC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140679	0	43	-1.0	-41.83	340.88	6.44	-35.39
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2CCCC2=NN1C	REAL300008140680	0	41	-1.0	-46.69	320.91	3.86	-42.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300008140681	0	43	-1.0	-42.74	322.32	4.14	-38.60
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300008140682	0	43	-1.0	-46.44	342.03	3.94	-42.50
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300008140683	0	41	-1.0	-44.52	328.36	2.85	-41.67
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300008140684	0	39	-1.0	-41.69	327.47	4.01	-37.68
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008140685	0	37	-1.0	-37.70	322.34	5.36	-32.34
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140686	0	45	-1.0	-48.65	359.98	6.39	-42.26
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008140687	0	45	-1.0	-43.93	344.29	7.22	-36.71
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008140688	0	40	-1.0	-52.73	343.83	5.35	-47.38
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008140689	0	40	-1.0	-43.33	323.68	4.75	-38.58
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300008140690	0	41	-1.0	-45.76	334.20	2.44	-43.32
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008140691	0	34	-1.0	-40.01	290.15	4.38	-35.63
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008140692	0	41	-1.0	-42.39	326.04	6.38	-36.01
COC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=CS1	REAL300008140693	0	35	-1.0	-58.20	296.11	3.14	-55.06
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008140694	0	44	-1.0	-44.59	343.09	4.36	-40.23
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140695	0	43	-1.0	-43.18	342.65	3.93	-39.25
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCCCCC1	REAL300008140696	0	48	-1.0	-54.23	352.11	5.10	-49.13
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300008140697	0	48	-1.0	-44.37	369.45	2.95	-41.42
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300008140698	0	40	-1.0	-44.39	329.70	5.75	-38.64
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008140699	0	38	-1.0	-44.77	315.74	3.81	-40.96
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008140700	0	49	-1.0	-41.07	377.60	6.98	-34.09
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S1	REAL300008140701	0	35	-1.0	-42.27	307.15	2.52	-39.75
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300008140702	0	45	-1.0	-66.16	345.28	6.65	-59.51
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008140703	0	42	-1.0	-38.19	337.60	4.43	-33.76
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CCF)N=C1	REAL300008140704	0	37	-1.0	-42.77	308.78	3.02	-39.75
CCOCC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140705	0	44	-1.0	-42.63	353.41	4.92	-37.71
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300008140706	0	44	-1.0	-47.41	362.87	5.33	-42.08
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008140707	0	47	-1.0	-44.69	364.00	5.19	-39.50
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008140708	0	45	-1.0	-44.46	371.30	6.84	-37.62
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CF	REAL300008140709	0	37	-1.0	-39.62	294.89	5.34	-34.28
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300008140710	0	40	-1.0	-41.52	340.53	5.80	-35.72
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008140711	0	43	-1.0	-45.22	333.94	6.99	-38.23
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300008140712	0	44	-1.0	-50.03	347.74	5.46	-44.57
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008140713	0	38	-1.0	-42.20	323.49	5.37	-36.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008140714	0	38	-1.0	-41.88	338.38	5.91	-35.97
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008140715	0	38	-1.0	-41.84	338.26	5.95	-35.89
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300008140716	0	39	-1.0	-40.52	318.24	-1.76	-42.28
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008140717	0	37	-1.0	-52.67	295.19	4.41	-48.26
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCC(F)(F)CC1	REAL300008140718	0	40	-1.0	-35.97	301.79	4.46	-31.51
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008140719	0	36	-1.0	-47.00	313.52	3.37	-43.63
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCOC1CCOC1	REAL300008140720	0	42	-1.0	-43.00	335.89	1.20	-41.80
CC1=NC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300008140721	0	43	-1.0	-50.53	355.75	3.12	-47.41
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008140722	0	51	-1.0	-42.00	358.04	6.92	-35.08
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CC(C)(C)CO1	REAL300008140723	0	44	-1.0	-44.05	341.31	3.58	-40.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300008140724	0	37	-1.0	-44.48	312.09	-0.31	-44.79
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC(C)(C)C(C)(F)F	REAL300008140725	0	42	-1.0	-45.69	320.08	4.46	-41.23
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300008140726	0	42	-1.0	-53.63	351.33	0.80	-52.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CCC(C)(C)CO1	REAL300008140727	0	47	-1.0	-43.24	355.40	4.45	-38.79
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008140728	0	44	-1.0	-41.08	351.66	6.38	-34.70
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008140729	0	38	-1.0	-49.72	329.12	3.13	-46.59
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008140730	0	44	-1.0	-42.77	362.98	6.88	-35.89
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008140731	0	43	-1.0	-42.56	327.53	1.77	-40.79
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008140732	0	47	-1.0	-41.34	348.70	6.08	-35.26
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008140733	0	38	-1.0	-42.79	327.25	5.43	-37.36
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300008140734	0	56	-1.0	-45.17	412.33	8.15	-37.02
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140735	0	45	-1.0	-43.47	352.70	4.99	-38.48
COC1=CSC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1OC	REAL300008140736	0	39	-1.0	-42.62	335.04	2.74	-39.88
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008140737	0	46	-1.0	-41.35	331.67	5.24	-36.11
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300008140738	0	45	-1.0	-41.13	354.70	6.71	-34.42
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008140739	0	38	-1.0	-43.80	324.94	5.33	-38.47
COC1=CC(F)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300008140740	0	38	-1.0	-44.14	319.20	3.52	-40.62
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008140741	0	38	-1.0	-43.03	321.00	4.02	-39.01
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300008140742	0	40	-1.0	-47.74	326.72	4.02	-43.72
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300008140743	0	41	-1.0	-48.27	329.23	6.13	-42.14
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008140744	0	43	-1.0	-41.60	361.69	4.54	-37.06
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140745	0	47	-1.0	-51.32	371.52	6.27	-45.05
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008140746	0	45	-1.0	-44.77	365.93	7.10	-37.67
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300008140747	0	40	-1.0	-64.18	309.20	6.38	-57.80
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008140748	0	35	-1.0	-42.55	310.94	3.14	-39.41
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140749	0	45	-1.0	-45.24	359.04	5.99	-39.25
CCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300008140750	0	44	-1.0	-45.70	351.68	4.71	-40.99
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300008140751	0	38	-1.0	-42.98	314.84	3.78	-39.20
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008140752	0	40	-1.0	-41.44	339.44	7.04	-34.40
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008140753	0	44	-1.0	-43.38	373.75	7.98	-35.40
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008140754	0	33	-1.0	-43.07	305.14	2.33	-40.74
CCC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1Br	REAL300008140755	0	40	-1.0	-39.87	334.61	6.25	-33.62
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140756	0	47	-1.0	-45.21	370.92	5.23	-39.98
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CS1	REAL300008140757	0	31	-1.0	-38.84	286.50	3.87	-34.97
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140758	0	48	-1.0	-43.04	372.30	4.94	-38.10
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008140759	0	40	-1.0	-44.38	324.20	6.77	-37.61
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2COCCC2=NN1C	REAL300008140760	0	42	-1.0	-45.87	323.78	2.10	-43.77
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008140761	0	41	-1.0	-58.00	313.27	6.63	-51.37
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C)(C)CC1	REAL300008140762	0	45	-1.0	-40.86	317.94	4.51	-36.35
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008140763	0	49	-1.0	-43.56	385.10	4.49	-39.07
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140764	0	37	-1.0	-53.66	316.78	2.27	-51.39
COC1=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300008140765	0	40	-1.0	-43.26	322.71	1.75	-41.51
CC(C)CN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=N1	REAL300008140766	0	43	-1.0	-45.54	343.04	4.26	-41.28
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140767	0	43	-1.0	-45.88	336.54	3.94	-41.94
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008140768	0	44	-1.0	-55.50	335.41	1.29	-54.21
COCC1=CC(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=NO1	REAL300008140769	0	40	-1.0	-47.30	335.28	1.96	-45.34
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008140770	0	39	-1.0	-56.27	321.59	6.65	-49.62
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300008140771	0	45	-1.0	-45.73	342.31	5.85	-39.88
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C(C)C	REAL300008140772	0	40	-1.0	-43.16	324.28	3.27	-39.89
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300008140773	0	41	-1.0	-42.75	326.44	4.72	-38.03
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008140774	0	41	-1.0	-48.61	335.50	5.34	-43.27
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008140775	0	36	-1.0	-42.65	299.99	4.46	-38.19
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300008140776	0	39	-1.0	-48.54	317.23	4.39	-44.15
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=NN1C(C)C	REAL300008140777	0	43	-1.0	-41.86	336.53	3.83	-38.03
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300008140778	0	48	-1.0	-44.73	392.57	7.62	-37.11
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008140779	0	39	-1.0	-49.29	312.52	5.41	-43.88
CC1=CN=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300008140780	0	39	-1.0	-43.47	310.80	3.72	-39.75
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CC=C(Br)CC1	REAL300008140781	0	37	-1.0	-37.57	295.50	3.86	-33.71
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300008140782	0	42	-1.0	-46.56	329.71	0.57	-45.99
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CC2CCC(C1)O2	REAL300008140783	0	41	-1.0	-42.91	313.32	2.48	-40.43
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C#N)CC1	REAL300008140784	0	40	-1.0	-37.99	312.01	4.25	-33.74
COC1=CC=NC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140785	0	37	-1.0	-44.99	296.73	2.78	-42.21
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C(F)F)=C1	REAL300008140786	0	41	-1.0	-59.88	317.15	5.11	-54.77
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)N=C1	REAL300008140787	0	37	-1.0	-46.41	305.47	2.00	-44.41
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140788	0	40	-1.0	-41.09	345.79	2.52	-38.57
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008140789	0	39	-1.0	-44.58	317.05	4.33	-40.25
CCOC1=CC=CN=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300008140790	0	40	-1.0	-48.98	315.02	4.63	-44.35
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300008140791	0	42	-1.0	-49.04	327.59	5.93	-43.11
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300008140792	0	38	-1.0	-45.23	303.11	3.92	-41.31
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(F)(F)C1	REAL300008140793	0	36	-1.0	-42.17	299.01	2.83	-39.34
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008140794	0	36	-1.0	-46.26	301.37	4.40	-41.86
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008140795	0	41	-1.0	-42.26	341.70	4.91	-37.35
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300008140796	0	47	-1.0	-44.57	369.03	6.47	-38.10
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC=C1	REAL300008140797	0	41	-1.0	-40.86	318.84	6.24	-34.62
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC(F)=C1	REAL300008140798	0	41	-1.0	-54.47	316.48	6.26	-48.21
CC(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140799	0	46	-1.0	-62.78	351.33	6.62	-56.16
CCCCN(C)S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140800	0	48	-1.0	-57.75	363.38	6.57	-51.18
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CS1	REAL300008140801	0	38	-1.0	-39.86	310.95	5.33	-34.53
CCC(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140802	0	53	-1.0	-41.90	398.96	8.88	-33.02
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)S1	REAL300008140803	0	41	-1.0	-40.74	333.95	6.15	-34.59
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C(Cl)S1	REAL300008140804	0	38	-1.0	-37.86	327.85	5.95	-31.91
COC1=CC=C(C)C=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140805	0	48	-1.0	-43.55	358.48	7.12	-36.43
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008140806	0	45	-1.0	-39.95	349.30	6.76	-33.19
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)N1CCOCC1	REAL300008140807	0	44	-1.0	-56.76	306.10	3.67	-53.09
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140808	0	47	-1.0	-52.05	371.46	3.81	-48.24
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008140809	0	45	-1.0	-45.24	370.57	6.07	-39.17
COC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1OC	REAL300008140810	0	52	-1.0	-57.57	386.99	6.30	-51.27
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140811	0	44	-1.0	-52.98	348.21	7.54	-45.44
CN1C=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=N1	REAL300008140812	0	41	-1.0	-44.68	323.76	3.84	-40.84
CCN(CC)S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140813	0	45	-1.0	-42.42	341.65	5.33	-37.09
CN(C1CCCCC1)S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140814	0	52	-1.0	-38.58	359.69	6.84	-31.74
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140815	0	47	-1.0	-56.95	356.24	5.01	-51.94
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008140816	0	57	-1.0	-41.79	422.14	10.10	-31.69
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008140817	0	47	-1.0	-44.64	364.73	5.46	-39.18
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140818	0	47	-1.0	-40.95	353.65	7.72	-33.23
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC=C1Br	REAL300008140819	0	41	-1.0	-56.64	330.32	7.07	-49.57
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008140820	0	41	-1.0	-54.26	331.37	6.82	-47.44
CC1=NNC=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140821	0	41	-1.0	-53.70	316.84	3.22	-50.48
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140822	0	46	-1.0	-47.51	336.43	8.53	-38.98
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008140823	0	47	-1.0	-40.49	376.45	8.50	-31.99
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140824	0	51	-1.0	-69.05	404.14	3.04	-66.01
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140825	0	52	-1.0	-44.32	402.73	8.13	-36.19
CC1=CC(F)=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140826	0	44	-1.0	-39.64	348.12	7.02	-32.62
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCC1CC1	REAL300008140827	0	44	-1.0	-41.35	334.14	6.72	-34.63
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008140828	0	47	-1.0	-44.31	356.28	6.75	-37.56
COCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140829	0	48	-1.0	-41.09	365.83	6.01	-35.08
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=N1	REAL300008140830	0	47	-1.0	-42.50	369.39	3.86	-38.64
CS(=O)(=O)CCCS(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140831	0	46	-1.0	-73.91	370.71	2.49	-71.42
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C(C)=C1C	REAL300008140832	0	51	-1.0	-56.44	375.86	6.99	-49.45
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008140833	0	46	-1.0	-44.68	361.20	6.66	-38.02
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CC1=NOC=C1	REAL300008140834	0	40	-1.0	-49.02	315.91	4.68	-44.34
CC1=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=NN1C	REAL300008140835	0	44	-1.0	-58.28	337.91	4.41	-53.87
CS(=O)(=O)N1CCN(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300008140836	0	51	-1.0	-60.14	381.43	2.31	-57.83
CN(C1CCOCC1)S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140837	0	50	-1.0	-56.29	357.33	4.22	-52.07
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)N1CC2CCC1C2	REAL300008140838	0	47	-1.0	-58.25	341.78	6.42	-51.83
CC1=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=NN1C1=CC=CC=N1	REAL300008140839	0	50	-1.0	-57.81	390.56	7.46	-50.35
CCN1N=C(C)C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1C	REAL300008140840	0	50	-1.0	-57.33	377.57	5.90	-51.43
CC(C)N1C=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=N1	REAL300008140841	0	47	-1.0	-43.39	352.94	5.23	-38.16
CC(C)CN1C=NC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140842	0	50	-1.0	-61.52	374.77	8.95	-52.57
CC(C)N1C=NC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140843	0	47	-1.0	-60.69	355.65	8.08	-52.61
CC(C)C1=NC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=CN1	REAL300008140844	0	47	-1.0	-59.40	369.97	4.66	-54.74
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140845	0	53	-1.0	-43.82	375.83	8.88	-34.94
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140846	0	49	-1.0	-46.09	384.66	5.63	-40.46
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CC1CCCOC1	REAL300008140847	0	48	-1.0	-61.09	355.95	5.28	-55.81
CC1=C(F)C=CC=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140848	0	44	-1.0	-53.68	333.74	7.13	-46.55
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008140849	0	47	-1.0	-46.89	379.01	9.17	-37.72
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008140850	0	45	-1.0	-54.40	354.48	5.79	-48.61
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140851	0	56	-1.0	-57.24	417.39	7.45	-49.79
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008140852	0	44	-1.0	-42.08	342.95	7.14	-34.94
COCC1=CC=C(OC)C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140853	0	52	-1.0	-44.18	392.14	6.18	-38.00
COCCC(C)S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140854	0	47	-1.0	-37.67	339.32	4.44	-33.23
COC1=CC=C(F)C=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140855	0	45	-1.0	-42.25	343.45	6.51	-35.74
CCC(C)CS(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140856	0	46	-1.0	-58.55	342.22	6.16	-52.39
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008140857	0	59	-1.0	-56.41	396.66	8.30	-48.11
CC1=NC2=C(S(=O)(=O)NC(CC(=O)[O-])CC3CCCC3)C=CC=C2C=C1	REAL300008140858	0	49	-1.0	-69.25	368.15	8.26	-60.99
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008140859	0	49	-1.0	-50.08	379.23	8.39	-41.69
CCN(CC1CC1)S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140860	0	49	-1.0	-56.05	349.72	6.24	-49.81
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008140861	0	52	-1.0	-42.63	397.64	4.74	-37.89
CCCN1C=NC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140862	0	47	-1.0	-61.16	357.54	8.45	-52.71
COCCOCCOCCS(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140863	0	55	-1.0	-48.58	422.96	3.81	-44.77
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCOCC1CC1	REAL300008140864	0	48	-1.0	-44.60	365.01	5.77	-38.83
CC(COC1CCCC1)CS(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140865	0	57	-1.0	-59.53	423.30	7.72	-51.81
COCC(C)CS(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140866	0	47	-1.0	-59.65	356.93	4.61	-55.04
CCOCC(C)CS(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140867	0	50	-1.0	-59.76	378.79	5.58	-54.18
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008140868	0	49	-1.0	-41.32	378.52	3.95	-37.37
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008140869	0	45	-1.0	-42.37	353.20	6.79	-35.58
COC1=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=CC=C1[N+](=O)[O-]	REAL300008140870	0	47	-1.0	-41.23	365.91	7.02	-34.21
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140871	0	47	-1.0	-52.20	370.52	8.06	-44.14
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140872	0	47	-1.0	-57.25	366.63	8.05	-49.20
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=CC=C1C(F)(F)F	REAL300008140873	0	47	-1.0	-38.85	374.70	7.80	-31.05
CC(C)C1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140874	0	50	-1.0	-58.78	377.77	8.43	-50.35
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCCN1CCOCC1	REAL300008140875	0	53	-1.0	-60.22	395.41	3.42	-56.80
CCOC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140876	0	48	-1.0	-57.19	361.43	6.43	-50.76
COCCN1C=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=N1	REAL300008140877	0	48	-1.0	-40.90	366.82	3.81	-37.09
CC(C)(C)CCS(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140878	0	49	-1.0	-58.54	362.31	6.63	-51.91
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008140879	0	48	-1.0	-45.18	375.11	6.83	-38.35
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008140880	0	49	-1.0	-40.45	387.44	8.64	-31.81
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008140881	0	46	-1.0	-46.98	352.68	6.59	-40.39
CC1CCN(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C1	REAL300008140882	0	46	-1.0	-55.27	338.74	6.01	-49.26
COCC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140883	0	48	-1.0	-55.09	359.90	6.36	-48.73
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008140884	0	44	-1.0	-49.97	357.71	5.34	-44.63
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008140885	0	44	-1.0	-40.85	345.60	5.06	-35.79
CC1(C)CC2=CC(S(=O)(=O)NC(CC(=O)[O-])CC3CCCC3)=CC=C2O1	REAL300008140886	0	52	-1.0	-49.05	402.03	7.54	-41.51
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008140887	0	44	-1.0	-41.70	349.64	5.47	-36.23
CSC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140888	0	45	-1.0	-60.66	350.67	7.40	-53.26
CCC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140889	0	47	-1.0	-57.44	352.97	7.63	-49.81
CCC1=CC=C(CS(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140890	0	50	-1.0	-44.23	381.12	8.65	-35.58
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCC1=CC=CS1	REAL300008140891	0	44	-1.0	-41.42	349.96	7.08	-34.34
CC1=CC=C(CS(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1C	REAL300008140892	0	50	-1.0	-60.47	383.91	8.36	-52.11
CC(C)CN(C)S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140893	0	48	-1.0	-56.86	351.82	6.94	-49.92
CN(C1CCCC1)S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140894	0	49	-1.0	-56.29	349.03	6.03	-50.26
CCCN(C)S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140895	0	45	-1.0	-57.77	341.87	5.79	-51.98
CC1(C)CN(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)CCO1	REAL300008140896	0	50	-1.0	-41.07	359.85	4.96	-36.11
CC1=NOC(CS(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140897	0	43	-1.0	-58.92	342.49	5.29	-53.63
CC(C)N1N=CC2=CC(S(=O)(=O)NC(CC(=O)[O-])CC3CCCC3)=CC=C21	REAL300008140898	0	53	-1.0	-44.43	401.13	7.81	-36.62
CCS(=O)(=O)NCCS(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140899	0	48	-1.0	-45.68	378.32	1.24	-44.44
CC1=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)OC2=CC=C(F)C=C12	REAL300008140900	0	47	-1.0	-52.27	375.82	7.52	-44.75
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008140901	0	47	-1.0	-60.41	371.73	9.14	-51.27
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCC1CCCO1	REAL300008140902	0	48	-1.0	-60.21	363.49	5.25	-54.96
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008140903	0	47	-1.0	-38.93	371.74	8.07	-30.86
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008140904	0	52	-1.0	-43.92	395.94	7.85	-36.07
CC1=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C2=CC=CC(C)=C2S1	REAL300008140905	0	50	-1.0	-52.57	391.19	9.14	-43.43
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1N(C)C	REAL300008140906	0	52	-1.0	-41.89	384.86	6.90	-34.99
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008140907	0	46	-1.0	-60.46	353.44	3.14	-57.32
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCOCC1CCCC1	REAL300008140908	0	54	-1.0	-44.66	398.71	6.92	-37.74
COC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1Cl	REAL300008140909	0	48	-1.0	-57.17	373.81	6.96	-50.21
CSC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1Cl	REAL300008140910	0	45	-1.0	-40.62	365.50	7.74	-32.88
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140911	0	53	-1.0	-45.62	388.88	6.37	-39.25
COC(C)CS(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140912	0	44	-1.0	-61.43	338.59	4.05	-57.38
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008140913	0	49	-1.0	-44.27	391.42	4.83	-39.44
CCC1=NOC2=NC=C(S(=O)(=O)NC(CC(=O)[O-])CC3CCCC3)C=C12	REAL300008140914	0	48	-1.0	-43.07	370.99	3.80	-39.27
CN1N=CC2=CC(S(=O)(=O)NC(CC(=O)[O-])CC3CCCC3)=CN=C21	REAL300008140915	0	46	-1.0	-45.35	361.52	5.27	-40.08
CCC1=CC(CC)=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C(CC)=C1	REAL300008140916	0	59	-1.0	-52.11	408.85	10.84	-41.27
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008140917	0	48	-1.0	-49.73	357.47	6.55	-43.18
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008140918	0	50	-1.0	-50.19	387.46	9.88	-40.31
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C(C)=C1F	REAL300008140919	0	48	-1.0	-53.80	364.18	6.39	-47.41
CC1(CS(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)CCCCC1	REAL300008140920	0	53	-1.0	-58.94	371.50	8.15	-50.79
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008140921	0	50	-1.0	-57.79	375.99	7.36	-50.43
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008140922	0	49	-1.0	-46.54	380.30	7.50	-39.04
CN1N=NC=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140923	0	40	-1.0	-43.40	314.71	2.75	-40.65
COCC1=CC(Cl)=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140924	0	48	-1.0	-39.48	392.08	6.51	-32.97
CC1=CC=C(CS(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C(F)=C1	REAL300008140925	0	47	-1.0	-47.64	364.92	7.92	-39.72
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008140927	0	41	-1.0	-37.12	352.70	6.54	-30.58
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008140928	0	54	-1.0	-60.31	410.48	9.74	-50.57
CC(C)(C)C1=CC(CS(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=NO1	REAL300008140929	0	52	-1.0	-63.26	403.47	7.17	-56.09
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCC1CCC1	REAL300008140930	0	47	-1.0	-58.66	355.17	7.00	-51.66
CC(C)(C)CCCS(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140931	0	52	-1.0	-40.45	376.55	7.44	-33.01
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008140932	0	50	-1.0	-69.30	381.85	3.87	-65.43
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008140933	0	44	-1.0	-51.20	362.29	6.80	-44.40
CC1=C(CCS(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)SC=N1	REAL300008140934	0	46	-1.0	-41.93	363.71	5.73	-36.20
COCC1(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)CC1	REAL300008140935	0	45	-1.0	-67.52	345.40	6.12	-61.40
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CC12CCC(CC1)C2	REAL300008140936	0	51	-1.0	-42.53	357.71	7.95	-34.58
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CC1CC(F)(F)C1	REAL300008140937	0	44	-1.0	-60.06	346.88	6.40	-53.66
COC1=CC=C2C=C(S(=O)(=O)NC(CC(=O)[O-])CC3CCCC3)CCC2=C1	REAL300008140938	0	53	-1.0	-44.00	395.01	7.96	-36.04
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CC12CCC(CC1)CC2	REAL300008140939	0	54	-1.0	-60.43	379.15	8.73	-51.70
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CCC1CCOC1	REAL300008140940	0	48	-1.0	-40.91	353.12	4.97	-35.94
CC(C)(CCS(=O)(=O)NC(CC(=O)[O-])CC1CCCC1)S(C)(=O)=O	REAL300008140941	0	52	-1.0	-52.98	385.46	3.58	-49.40
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CC1CCCCC1(F)F	REAL300008140942	0	50	-1.0	-61.70	369.73	8.03	-53.67
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008140943	0	48	-1.0	-58.88	371.98	8.38	-50.50
CN1C=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=N1	REAL300008140944	0	41	-1.0	-51.45	331.41	3.99	-47.46
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1[N+](=O)[O-]	REAL300008140945	0	49	-1.0	-60.85	371.31	7.95	-52.90
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008140946	0	41	-1.0	-37.92	327.50	6.79	-31.13
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008140947	0	41	-1.0	-37.85	332.05	6.90	-30.95
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008140948	0	43	-1.0	-38.49	348.51	6.96	-31.53
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008140949	0	47	-1.0	-43.97	366.22	8.57	-35.40
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008140950	0	43	-1.0	-54.30	338.30	6.87	-47.43
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140951	0	46	-1.0	-60.81	356.50	7.72	-53.09
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140952	0	45	-1.0	-41.82	340.25	5.58	-36.24
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008140953	0	43	-1.0	-50.39	343.03	7.86	-42.53
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140954	0	44	-1.0	-41.17	332.16	6.95	-34.22
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140955	0	48	-1.0	-42.39	371.62	6.52	-35.87
CC1=CC(C)=C(C)C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1C	REAL300008140956	0	53	-1.0	-43.38	381.56	8.91	-34.47
CC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C(C)=C1	REAL300008140957	0	50	-1.0	-56.95	364.67	8.47	-48.48
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140958	0	56	-1.0	-58.59	396.73	9.12	-49.47
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008140959	0	44	-1.0	-45.74	363.64	7.29	-38.45
CC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140960	0	44	-1.0	-49.56	345.98	6.94	-42.62
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C=CC1=CC=CC=C1	REAL300008140961	0	45	-1.0	-45.29	345.65	7.64	-37.65
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008140962	0	44	-1.0	-58.15	335.93	7.66	-50.49
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008140963	0	41	-1.0	-54.37	326.81	6.71	-47.66
CC(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140964	0	46	-1.0	-43.07	353.53	6.77	-36.30
CC1=CC=C(C)C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140965	0	47	-1.0	-57.78	349.64	7.73	-50.05
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1C	REAL300008140966	0	47	-1.0	-42.37	358.69	7.49	-34.88
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C(C)=C1	REAL300008140967	0	47	-1.0	-56.88	352.87	7.69	-49.19
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1[N+](=O)[O-]	REAL300008140968	0	47	-1.0	-43.74	365.79	6.96	-36.78
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140969	0	53	-1.0	-41.86	387.01	8.61	-33.25
CC(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140970	0	50	-1.0	-41.57	380.51	8.21	-33.36
CCCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140971	0	50	-1.0	-40.80	375.15	8.49	-32.31
COC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140972	0	45	-1.0	-42.95	337.06	6.45	-36.50
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)CC1=CC=CC=C1	REAL300008140973	0	44	-1.0	-44.47	338.22	7.21	-37.26
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008140974	0	45	-1.0	-37.80	356.75	6.08	-31.72
CC1=C(C)C(C)=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C(C)=C1C	REAL300008140975	0	56	-1.0	-56.80	392.67	9.31	-47.49
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008140976	0	50	-1.0	-42.56	383.08	6.25	-36.31
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140977	0	57	-1.0	-44.14	413.23	8.78	-35.36
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1[N+](=O)[O-]	REAL300008140978	0	46	-1.0	-44.11	357.26	7.51	-36.60
CC1=NNC(C)=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140979	0	44	-1.0	-52.50	336.33	3.82	-48.68
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140980	0	59	-1.0	-56.28	419.45	10.14	-46.14
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008140981	0	44	-1.0	-37.49	349.49	7.28	-30.21
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008140982	0	51	-1.0	-49.70	387.34	8.77	-40.93
COC1=CC=C(OC)C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140983	0	49	-1.0	-45.49	366.52	5.74	-39.75
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1OC	REAL300008140984	0	49	-1.0	-44.36	368.99	5.47	-38.89
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008140985	0	48	-1.0	-42.54	356.48	8.13	-34.41
CC1=NOC(C)=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140986	0	43	-1.0	-49.14	333.32	5.05	-44.09
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008140987	0	49	-1.0	-43.33	365.58	8.65	-34.68
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008140988	0	46	-1.0	-42.63	352.99	6.03	-36.60
CC(C)CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140989	0	56	-1.0	-40.69	414.21	9.78	-30.91
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1OCC	REAL300008140990	0	55	-1.0	-45.51	412.78	7.32	-38.19
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C=C1	REAL300008140991	0	46	-1.0	-47.14	365.00	1.24	-45.90
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=CC([N+](=O)[O-])=C1C	REAL300008140992	0	49	-1.0	-44.40	377.28	8.17	-36.23
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1C	REAL300008140993	0	49	-1.0	-59.90	374.45	8.28	-51.62
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)N1CCCCCC1	REAL300008140994	0	49	-1.0	-48.78	362.86	6.04	-42.74
CC1=CC2=CC=CC(S(=O)(=O)NC(CC(=O)[O-])CC3CCCC3)=C2N=C1	REAL300008140995	0	49	-1.0	-46.53	369.91	8.45	-38.08
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)C([N+](=O)[O-])=C1	REAL300008140996	0	47	-1.0	-49.83	373.54	7.20	-42.63
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC(=O)[O-])CC1CCCC1	REAL300008140997	0	45	-1.0	-40.62	353.79	6.97	-33.65
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])CC2CCCC2)=C1	REAL300008140998	0	46	-1.0	-59.36	363.27	1.09	-58.27
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)N1CCCCC1	REAL300008140999	0	46	-1.0	-58.73	315.99	5.93	-52.80
O=C([O-])CC(CC1CCCC1)NS(=O)(=O)N1CCCC1	REAL300008141000	0	43	-1.0	-44.82	320.88	5.06	-39.76
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142073	0	36	-1.0	-61.62	299.48	5.33	-56.29
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142074	0	43	-1.0	-62.79	347.49	5.57	-57.22
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C	REAL300008142075	0	43	-1.0	-63.14	364.34	2.48	-60.66
CC1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1C(=O)[O-]	REAL300008142076	0	50	-1.0	-59.93	360.03	7.07	-52.86
CC1=NC2=C(S(=O)(=O)N3CCC(C)C3C(=O)[O-])C=CC=C2C=C1	REAL300008142077	0	40	-1.0	-72.80	326.28	7.08	-65.72
CC1CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1C(=O)[O-]	REAL300008142078	0	40	-1.0	-73.99	336.23	7.42	-66.57
CC1CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1C(=O)[O-]	REAL300008142079	0	43	-1.0	-50.52	350.35	3.21	-47.31
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142080	0	46	-1.0	-67.52	386.45	6.57	-60.95
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142081	0	46	-1.0	-63.33	380.08	6.68	-56.65
CCCN1C=NC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142082	0	38	-1.0	-54.05	314.86	5.60	-48.45
CC(COC1CCCC1)CS(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142083	0	48	-1.0	-64.14	373.63	6.77	-57.37
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142084	0	39	-1.0	-48.56	341.36	5.03	-43.53
CC1CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1C(=O)[O-]	REAL300008142085	0	40	-1.0	-60.52	331.01	3.16	-57.36
COC1=CC(Br)=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142086	0	36	-1.0	-56.95	320.09	5.40	-51.55
CC1CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1C(=O)[O-]	REAL300008142087	0	36	-1.0	-56.03	309.23	5.60	-50.43
COC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008142088	0	38	-1.0	-55.96	328.49	6.14	-49.82
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142089	0	38	-1.0	-56.39	317.62	7.01	-49.38
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142090	0	38	-1.0	-62.94	318.28	7.04	-55.90
CC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300008142091	0	38	-1.0	-56.48	327.42	6.90	-49.58
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142092	0	41	-1.0	-64.96	323.60	6.68	-58.28
CCOC1=CC=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142093	0	39	-1.0	-60.14	326.31	5.81	-54.33
COCCN1C=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=N1	REAL300008142094	0	39	-1.0	-52.87	332.91	2.27	-50.60
CC1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1C(=O)[O-]	REAL300008142095	0	39	-1.0	-62.60	340.19	6.12	-56.48
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1C	REAL300008142096	0	59	-1.0	-51.71	452.02	8.99	-42.72
CC1CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1C(=O)[O-]	REAL300008142097	0	40	-1.0	-64.95	350.33	7.71	-57.24
CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1C(=O)[O-]	REAL300008142098	0	37	-1.0	-59.44	314.16	5.77	-53.67
CC1CCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1C(=O)[O-]	REAL300008142099	0	35	-1.0	-63.53	315.37	6.86	-56.67
CC1CCN(S(=O)(=O)CC2=CC=CC=C2Br)C1C(=O)[O-]	REAL300008142100	0	35	-1.0	-63.07	310.81	6.79	-56.28
CC1CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1C(=O)[O-]	REAL300008142101	0	39	-1.0	-59.99	337.49	2.59	-57.40
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142102	0	35	-1.0	-50.15	315.55	6.00	-44.15
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142103	0	35	-1.0	-57.07	299.74	6.64	-50.43
COCC1=CC=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142104	0	39	-1.0	-61.50	316.89	5.69	-55.81
COC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CC=C1Br	REAL300008142105	0	36	-1.0	-57.30	322.89	5.37	-51.93
COC1=CC(OC)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1Cl	REAL300008142106	0	40	-1.0	-65.67	346.03	5.28	-60.39
CC1CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1C(=O)[O-]	REAL300008142107	0	35	-1.0	-44.58	317.15	3.73	-40.85
CC1CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1C(=O)[O-]	REAL300008142108	0	35	-1.0	-55.30	311.09	3.55	-51.75
CC1CCN(S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C1C(=O)[O-]	REAL300008142109	0	43	-1.0	-60.57	350.40	6.64	-53.93
CC1CCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1C(=O)[O-]	REAL300008142110	0	35	-1.0	-65.80	306.53	4.63	-61.17
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142111	0	44	-1.0	-65.31	379.51	4.79	-60.52
CSC1=CC=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142112	0	36	-1.0	-65.48	305.30	6.25	-59.23
CC1CCN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C1C(=O)[O-]	REAL300008142113	0	40	-1.0	-62.48	351.92	2.18	-60.30
CC1CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)C)C1C(=O)[O-]	REAL300008142114	0	43	-1.0	-66.37	346.54	5.57	-60.80
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1F	REAL300008142115	0	43	-1.0	-61.67	375.37	3.26	-58.41
CCC1=CC=C(CS(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142116	0	41	-1.0	-64.77	338.65	7.65	-57.12
CC1CCN(S(=O)(=O)CCC2=CC=CS2)C1C(=O)[O-]	REAL300008142117	0	35	-1.0	-61.34	307.17	6.09	-55.25
CC1CCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1C(=O)[O-]	REAL300008142118	0	47	-1.0	-62.65	388.70	6.03	-56.62
CC1CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1C(=O)[O-]	REAL300008142119	0	44	-1.0	-65.60	363.58	5.25	-60.35
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142120	0	41	-1.0	-69.77	355.17	3.81	-65.96
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142121	0	42	-1.0	-69.04	353.77	2.79	-66.25
CC1=CC=C(CS(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C	REAL300008142122	0	41	-1.0	-65.95	338.85	7.47	-58.48
CCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1Br	REAL300008142123	0	39	-1.0	-56.50	346.72	6.49	-50.01
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300008142124	0	46	-1.0	-62.98	383.11	8.65	-54.33
CC1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1C(=O)[O-]	REAL300008142125	0	36	-1.0	-56.13	319.55	6.05	-50.08
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142126	0	39	-1.0	-62.78	340.26	6.10	-56.68
CC1CCN(S(=O)(=O)N2CCOC(C)(C)C2)C1C(=O)[O-]	REAL300008142127	0	41	-1.0	-57.63	321.12	3.80	-53.83
CC1CCN(S(=O)(=O)C2=CC=C3N=C(C(C)(C)C)SC3=C2)C1C(=O)[O-]	REAL300008142128	0	46	-1.0	-58.07	382.30	7.42	-50.65
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142129	0	39	-1.0	-63.92	341.06	6.29	-57.63
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(C)C3C(=O)[O-])=CC=C21	REAL300008142130	0	44	-1.0	-59.84	360.01	7.02	-52.82
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142131	0	39	-1.0	-66.81	341.19	0.22	-66.59
CC1=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008142132	0	38	-1.0	-56.48	329.94	6.78	-49.70
CC1CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1C(=O)[O-]	REAL300008142133	0	35	-1.0	-47.22	325.24	6.59	-40.63
CC1=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008142134	0	38	-1.0	-42.00	324.54	7.24	-34.76
CC1CCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C1C(=O)[O-]	REAL300008142135	0	35	-1.0	-58.60	324.21	7.27	-51.33
CC1CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1C(=O)[O-]	REAL300008142136	0	38	-1.0	-49.00	317.38	7.11	-41.89
CC1CCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1C(=O)[O-]	REAL300008142137	0	38	-1.0	-62.57	336.81	7.36	-55.21
CC1CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1C(=O)[O-]	REAL300008142138	0	43	-1.0	-64.47	358.01	6.89	-57.58
CC1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1C(=O)[O-]	REAL300008142139	0	46	-1.0	-65.10	378.86	8.80	-56.30
CC1CCN(S(=O)(=O)C2=CC=C(OCC3=NC=NN3C)C=C2)C1C(=O)[O-]	REAL300008142140	0	45	-1.0	-63.97	382.37	7.11	-56.86
CC1CCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1C(=O)[O-]	REAL300008142141	0	43	-1.0	-69.01	372.00	2.54	-66.47
CC1=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008142142	0	41	-1.0	-51.79	334.27	7.40	-44.39
CC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1N(C)C	REAL300008142143	0	43	-1.0	-61.44	349.55	6.24	-55.20
CC1CCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1C(=O)[O-]	REAL300008142144	0	38	-1.0	-62.12	333.41	7.42	-54.70
CC1CCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1C(=O)[O-]	REAL300008142145	0	37	-1.0	-64.32	304.55	2.46	-61.86
CC1CCN(S(=O)(=O)CCOCC2CCCC2)C1C(=O)[O-]	REAL300008142146	0	45	-1.0	-60.00	356.75	5.94	-54.06
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1Cl	REAL300008142147	0	39	-1.0	-59.17	328.77	5.85	-53.32
CC1CCN(S(=O)(=O)CC2=CC=CC(S(C)(=O)=O)=C2)C1C(=O)[O-]	REAL300008142148	0	41	-1.0	-76.38	353.24	3.82	-72.56
CSC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1Cl	REAL300008142149	0	36	-1.0	-61.17	328.18	6.88	-54.29
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142150	0	44	-1.0	-49.02	335.49	4.54	-44.48
CC1CCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1C(=O)[O-]	REAL300008142151	0	40	-1.0	-58.20	344.12	3.96	-54.24
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(C)C3C(=O)[O-])C=C12	REAL300008142152	0	39	-1.0	-57.18	336.18	3.29	-53.89
CC1CCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1C(=O)[O-]	REAL300008142153	0	43	-1.0	-53.87	371.52	5.41	-48.46
CC1CCN(S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C1C(=O)[O-]	REAL300008142154	0	37	-1.0	-56.56	319.28	4.73	-51.83
CC1CCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1C(=O)[O-]	REAL300008142155	0	38	-1.0	-58.69	342.13	8.48	-50.21
CCC1=CC(CC)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(CC)=C1	REAL300008142156	0	50	-1.0	-57.48	368.03	9.71	-47.77
CC1CCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1C(=O)[O-]	REAL300008142157	0	39	-1.0	-63.83	320.89	5.64	-58.19
CC1CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1C(=O)[O-]	REAL300008142158	0	38	-1.0	-55.74	343.53	3.67	-52.07
CC1CCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1C(=O)[O-]	REAL300008142159	0	41	-1.0	-72.11	337.77	9.32	-62.79
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C)=C1F	REAL300008142160	0	39	-1.0	-56.80	316.29	5.46	-51.34
CC1CCN(S(=O)(=O)CC2(C)CCCCC2)C1C(=O)[O-]	REAL300008142161	0	44	-1.0	-64.80	326.66	7.00	-57.80
CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1C(=O)[O-]	REAL300008142162	0	41	-1.0	-49.62	324.16	5.80	-43.82
CC1CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1C(=O)[O-]	REAL300008142164	0	40	-1.0	-57.28	341.59	6.68	-50.60
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142165	0	39	-1.0	-50.18	344.61	4.95	-45.23
CC1=CC=C(CS(=O)(=O)N2CCC(C)C2C(=O)[O-])C(F)=C1	REAL300008142166	0	38	-1.0	-62.86	320.79	6.95	-55.91
CC1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1C(=O)[O-]	REAL300008142168	0	32	-1.0	-40.44	296.61	4.72	-35.72
CC1CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1C(=O)[O-]	REAL300008142169	0	45	-1.0	-64.97	365.60	8.83	-56.14
CC1CCN(S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)C1C(=O)[O-]	REAL300008142170	0	43	-1.0	-66.92	352.19	6.26	-60.66
CC1CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1C(=O)[O-]	REAL300008142171	0	41	-1.0	-78.62	336.83	2.80	-75.82
CC1CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1C(=O)[O-]	REAL300008142172	0	35	-1.0	-55.28	311.11	6.07	-49.21
CC1=C(CCS(=O)(=O)N2CCC(C)C2C(=O)[O-])SC=N1	REAL300008142173	0	37	-1.0	-62.14	320.92	4.74	-57.40
CC1CCN(S(=O)(=O)CC23CCC(CC2)C3)C1C(=O)[O-]	REAL300008142174	0	42	-1.0	-63.63	319.03	6.90	-56.73
COC1=CC=C2C=C(S(=O)(=O)N3CCC(C)C3C(=O)[O-])CCC2=C1	REAL300008142175	0	44	-1.0	-48.57	347.97	6.17	-42.40
CC1CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1C(=O)[O-]	REAL300008142176	0	43	-1.0	-77.42	350.59	2.59	-74.83
CC1CCN(S(=O)(=O)CC2CCCCC2(F)F)C1C(=O)[O-]	REAL300008142177	0	41	-1.0	-60.50	324.71	6.66	-53.84
CC1CCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1C(=O)[O-]	REAL300008142178	0	39	-1.0	-60.99	320.97	7.62	-53.37
CCC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008142179	0	40	-1.0	-66.43	335.38	7.21	-59.22
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1C(=O)[O-]	REAL300008142180	0	32	-1.0	-57.01	292.56	6.10	-50.91
CC1CCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1C(=O)[O-]	REAL300008142181	0	32	-1.0	-56.82	297.13	6.20	-50.62
CC1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1C(=O)[O-]	REAL300008142182	0	34	-1.0	-54.95	304.07	6.25	-48.70
CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1C(=O)[O-]	REAL300008142183	0	38	-1.0	-61.59	320.88	7.88	-53.71
CC1CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1C(=O)[O-]	REAL300008142184	0	34	-1.0	-56.31	303.17	6.26	-50.05
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142185	0	37	-1.0	-67.33	307.76	6.71	-60.62
CC1CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1C(=O)[O-]	REAL300008142186	0	34	-1.0	-58.40	288.83	6.30	-52.10
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142187	0	39	-1.0	-62.23	335.84	6.80	-55.43
CCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142188	0	39	-1.0	-59.39	327.18	5.80	-53.59
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1C	REAL300008142189	0	44	-1.0	-59.92	332.61	7.99	-51.93
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C)=C1	REAL300008142190	0	41	-1.0	-59.83	314.57	7.46	-52.37
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142191	0	47	-1.0	-51.68	357.28	7.66	-44.02
CC1CCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1C(=O)[O-]	REAL300008142192	0	35	-1.0	-56.49	314.02	6.60	-49.89
CC1CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1C(=O)[O-]	REAL300008142193	0	35	-1.0	-58.88	293.23	6.88	-52.00
CC1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1C(=O)[O-]	REAL300008142194	0	32	-1.0	-56.96	291.69	6.11	-50.85
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142195	0	37	-1.0	-59.69	317.08	5.99	-53.70
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008142196	0	38	-1.0	-57.05	330.46	6.33	-50.72
CC1CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C1C(=O)[O-]	REAL300008142197	0	44	-1.0	-49.39	345.37	6.92	-42.47
CC(C)C1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142198	0	41	-1.0	-60.54	336.06	7.51	-53.03
CC1CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)N(C)C)C=C2)C1C(=O)[O-]	REAL300008142199	0	43	-1.0	-61.41	371.45	3.58	-57.83
CCCC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142200	0	41	-1.0	-60.63	340.23	7.80	-52.83
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1Br	REAL300008142201	0	36	-1.0	-61.59	322.88	5.37	-56.22
CC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CC=C1Br	REAL300008142202	0	35	-1.0	-57.59	312.49	6.57	-51.02
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC(C)C3C(=O)[O-])C=C2)=C1	REAL300008142203	0	46	-1.0	-59.96	385.95	9.09	-50.87
CC1CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1C(=O)[O-]	REAL300008142204	0	36	-1.0	-57.15	321.82	5.37	-51.78
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C)=C1C	REAL300008142205	0	47	-1.0	-49.56	335.47	7.48	-42.08
CC1CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1C(=O)[O-]	REAL300008142206	0	41	-1.0	-62.49	335.80	5.35	-57.14
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142207	0	48	-1.0	-64.43	369.20	7.59	-56.84
CC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008142208	0	37	-1.0	-56.40	319.14	6.78	-49.62
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142209	0	36	-1.0	-61.33	314.36	5.89	-55.44
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142210	0	50	-1.0	-49.99	370.00	8.33	-41.66
CC1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1C(=O)[O-]	REAL300008142211	0	35	-1.0	-56.26	314.58	6.58	-49.68
CC1CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1C(=O)[O-]	REAL300008142212	0	42	-1.0	-60.48	337.65	8.08	-52.40
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142213	0	40	-1.0	-64.99	322.53	4.56	-60.43
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1OC	REAL300008142214	0	40	-1.0	-59.29	333.69	4.79	-54.50
CC1CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1C(=O)[O-]	REAL300008142215	0	39	-1.0	-61.54	320.45	7.50	-54.04
CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1C(=O)[O-]	REAL300008142216	0	40	-1.0	-49.61	318.51	6.87	-42.74
CC1CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1C(=O)[O-]	REAL300008142217	0	37	-1.0	-60.66	308.89	5.24	-55.42
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142218	0	47	-1.0	-60.47	379.30	9.09	-51.38
CCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1OCC	REAL300008142219	0	46	-1.0	-61.78	375.41	6.44	-55.34
CC1CCN(S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C1C(=O)[O-]	REAL300008142220	0	37	-1.0	-64.10	330.08	0.53	-63.57
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1C	REAL300008142221	0	40	-1.0	-64.30	320.49	7.11	-57.19
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(C)C3C(=O)[O-])=C2N=C1	REAL300008142222	0	40	-1.0	-68.59	331.48	7.22	-61.37
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008142223	0	38	-1.0	-55.65	318.40	5.62	-50.03
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142224	0	36	-1.0	-48.34	314.97	5.08	-43.26
CC1CCN(S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C1C(=O)[O-]	REAL300008142225	0	37	-1.0	-68.96	327.24	0.34	-68.62
CC1CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1C(=O)[O-]	REAL300008142226	0	44	-1.0	-67.28	383.95	3.44	-63.84
CC1CCN(S(=O)(=O)N(C)CC2=C(F)C=CC=C2Cl)C1C(=O)[O-]	REAL300008142227	0	40	-1.0	-53.78	337.17	6.29	-47.49
CC1CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1C(=O)[O-]	REAL300008142228	0	41	-1.0	-59.51	331.67	6.90	-52.61
CC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=CC=CN=C12	REAL300008142229	0	40	-1.0	-51.18	315.88	5.55	-45.63
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C	REAL300008142230	0	40	-1.0	-58.75	327.25	7.51	-51.24
CC1CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)N(C)C)=C2)C1C(=O)[O-]	REAL300008142231	0	43	-1.0	-67.93	368.61	3.39	-64.54
CC1CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1C(=O)[O-]	REAL300008142232	0	44	-1.0	-72.48	360.87	4.95	-67.53
CC1CCN(S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C1C(=O)[O-]	REAL300008142233	0	38	-1.0	-70.24	333.70	2.91	-67.33
CC1CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1C(=O)[O-]	REAL300008142234	0	42	-1.0	-59.51	332.62	8.46	-51.05
CC1CCN(S(=O)(=O)N2CC(C)CC(C)C2)C1C(=O)[O-]	REAL300008142235	0	43	-1.0	-60.83	331.95	5.77	-55.06
CC1CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1C(=O)[O-]	REAL300008142236	0	38	-1.0	-64.97	311.20	7.65	-57.32
CC1CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1C(=O)[O-]	REAL300008142237	0	42	-1.0	-61.22	350.01	8.99	-52.23
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142238	0	35	-1.0	-63.13	285.94	6.10	-57.03
CC1CCN(S(=O)(=O)C2=CC=CC3=C(N(C)C)C=CC=C23)C1C(=O)[O-]	REAL300008142239	0	46	-1.0	-50.64	354.13	6.46	-44.18
CC1CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1C(=O)[O-]	REAL300008142240	0	33	-1.0	-49.39	296.94	3.08	-46.31
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142241	0	36	-1.0	-61.40	309.80	5.79	-55.61
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142242	0	47	-1.0	-60.40	366.26	8.37	-52.03
CC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1Cl	REAL300008142243	0	35	-1.0	-58.00	308.44	6.49	-51.51
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142244	0	42	-1.0	-60.15	345.10	6.43	-53.72
CC1CCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1C(=O)[O-]	REAL300008142245	0	33	-1.0	-57.57	283.34	4.24	-53.33
CC1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1C(=O)[O-]	REAL300008142246	0	37	-1.0	-71.59	326.69	7.94	-63.65
CC1CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1C(=O)[O-]	REAL300008142247	0	37	-1.0	-70.01	312.82	6.45	-63.56
CC1CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1C(=O)[O-]	REAL300008142248	0	43	-1.0	-60.74	381.33	8.97	-51.77
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142249	0	38	-1.0	-57.07	321.29	5.94	-51.13
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1F	REAL300008142250	0	36	-1.0	-62.37	308.69	4.77	-57.60
CC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1F	REAL300008142251	0	35	-1.0	-57.74	299.70	6.10	-51.64
CC1CCN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1C(=O)[O-]	REAL300008142252	0	43	-1.0	-59.08	381.28	8.94	-50.14
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC(C)C3C(=O)[O-])C=C2)C=C1	REAL300008142253	0	47	-1.0	-60.81	394.02	7.72	-53.09
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C(C)C)=C1	REAL300008142254	0	59	-1.0	-59.73	427.13	11.32	-48.41
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=CC=CC=C12	REAL300008142255	0	48	-1.0	-54.42	368.58	7.55	-46.87
CC1CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1C(=O)[O-]	REAL300008142256	0	35	-1.0	-60.25	325.99	7.21	-53.04
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=CC=CC=C12	REAL300008142257	0	42	-1.0	-53.99	328.83	5.99	-48.00
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142258	0	37	-1.0	-54.95	306.77	6.66	-48.29
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142259	0	37	-1.0	-60.19	306.21	6.50	-53.69
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142260	0	40	-1.0	-60.02	331.09	7.99	-52.03
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142261	0	44	-1.0	-60.83	357.04	8.26	-52.57
COCCC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142262	0	42	-1.0	-60.63	352.40	6.09	-54.54
COCCN(CCOC)S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142263	0	44	-1.0	-59.62	354.06	2.60	-57.02
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142264	0	35	-1.0	-62.09	296.26	6.55	-55.54
COC1=C(C)C=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C	REAL300008142265	0	42	-1.0	-47.32	334.89	5.27	-42.05
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142266	0	48	-1.0	-58.85	387.74	7.91	-50.94
CC1CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1C(=O)[O-]	REAL300008142267	0	46	-1.0	-59.02	370.48	7.80	-51.22
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142268	0	45	-1.0	-59.07	368.78	7.30	-51.77
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142269	0	42	-1.0	-59.04	348.68	6.60	-52.44
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1Cl	REAL300008142270	0	36	-1.0	-61.61	318.49	5.26	-56.35
CC1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1C(=O)[O-]	REAL300008142271	0	36	-1.0	-59.93	328.25	5.53	-54.40
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C	REAL300008142272	0	39	-1.0	-61.33	322.56	5.44	-55.89
CC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CC=C1OC(C)C	REAL300008142273	0	45	-1.0	-60.93	362.33	6.99	-53.94
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C)=C1	REAL300008142274	0	39	-1.0	-49.70	309.23	4.45	-45.25
COCCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142275	0	43	-1.0	-61.32	360.81	5.07	-56.25
CC1CCN(S(=O)(=O)CC2=CC=CC=C2F)C1C(=O)[O-]	REAL300008142276	0	35	-1.0	-66.90	299.38	6.27	-60.63
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142277	0	35	-1.0	-46.44	301.06	5.76	-40.68
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1C	REAL300008142278	0	40	-1.0	-43.77	309.56	6.97	-36.80
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142279	0	41	-1.0	-72.72	340.25	3.56	-69.16
CC1CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1C(=O)[O-]	REAL300008142280	0	44	-1.0	-61.22	384.84	3.43	-57.79
CC1=NC(C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])S1	REAL300008142281	0	34	-1.0	-61.46	300.51	3.81	-57.65
CC1CCN(S(=O)(=O)C2=CSC3=CC=CC=C23)C1C(=O)[O-]	REAL300008142282	0	35	-1.0	-62.98	308.15	6.44	-56.54
COC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CC=C1F	REAL300008142283	0	36	-1.0	-57.60	308.69	4.77	-52.83
CC1CCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1C(=O)[O-]	REAL300008142284	0	42	-1.0	-61.06	349.16	9.00	-52.06
CC1CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1C(=O)[O-]	REAL300008142285	0	35	-1.0	-61.54	329.64	7.23	-54.31
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C)C3C(=O)[O-])S2)=CS1	REAL300008142286	0	38	-1.0	-60.93	356.68	5.98	-54.95
CC1CCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1C(=O)[O-]	REAL300008142287	0	52	-1.0	-59.71	410.42	9.20	-50.51
CNC(=O)C1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CN1C	REAL300008142288	0	40	-1.0	-60.83	338.88	3.27	-57.56
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C)=C1	REAL300008142289	0	42	-1.0	-47.17	315.85	5.16	-42.01
CC1CCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1C(=O)[O-]	REAL300008142290	0	43	-1.0	-62.00	357.19	9.52	-52.48
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C	REAL300008142291	0	42	-1.0	-63.29	333.29	6.10	-57.19
CC1=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008142292	0	40	-1.0	-48.57	308.36	5.70	-42.87
CC1CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1C(=O)[O-]	REAL300008142293	0	37	-1.0	-63.56	306.40	5.88	-57.68
CCN1C=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008142294	0	37	-1.0	-58.19	313.59	6.00	-52.19
CC1CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1C(=O)[O-]	REAL300008142295	0	39	-1.0	-59.92	346.75	6.27	-53.65
CC1CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1C(=O)[O-]	REAL300008142296	0	46	-1.0	-61.15	387.10	8.87	-52.28
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142297	0	40	-1.0	-65.37	338.04	6.86	-58.51
CC1CCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1C(=O)[O-]	REAL300008142298	0	42	-1.0	-47.72	359.16	6.23	-41.49
CC1CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1C(=O)[O-]	REAL300008142299	0	35	-1.0	-80.63	300.42	4.60	-76.03
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142300	0	54	-1.0	-62.19	414.33	8.24	-53.95
CC1CCN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C1C(=O)[O-]	REAL300008142301	0	40	-1.0	-66.94	349.40	2.29	-64.65
CC1CCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1C(=O)[O-]	REAL300008142302	0	35	-1.0	-64.37	300.48	6.31	-58.06
CCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=CC=CC=C12	REAL300008142303	0	45	-1.0	-51.96	350.88	6.89	-45.07
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142304	0	42	-1.0	-65.52	335.99	6.85	-58.67
CC1CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1C(=O)[O-]	REAL300008142305	0	37	-1.0	-77.10	321.31	5.57	-71.53
CC1CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1C(=O)[O-]	REAL300008142306	0	39	-1.0	-57.65	329.86	6.62	-51.03
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142307	0	46	-1.0	-61.29	382.66	6.04	-55.25
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142308	0	48	-1.0	-58.79	391.68	8.16	-50.63
CC1CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1C(=O)[O-]	REAL300008142309	0	42	-1.0	-65.39	325.10	8.03	-57.36
CC1CCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1C(=O)[O-]	REAL300008142310	0	36	-1.0	-58.14	332.21	7.04	-51.10
CC1CCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1C(=O)[O-]	REAL300008142311	0	37	-1.0	-61.36	308.95	4.69	-56.67
CC1CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1C(=O)[O-]	REAL300008142312	0	40	-1.0	-70.66	340.34	6.81	-63.85
CC1CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1C(=O)[O-]	REAL300008142313	0	37	-1.0	-60.75	324.11	5.76	-54.99
CCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C)=C1	REAL300008142314	0	42	-1.0	-49.06	332.94	5.36	-43.70
CC1CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1C(=O)[O-]	REAL300008142315	0	36	-1.0	-63.68	310.80	5.67	-58.01
CSC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142316	0	36	-1.0	-59.14	316.03	6.60	-52.54
CC1CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1C(=O)[O-]	REAL300008142317	0	38	-1.0	-64.67	332.79	7.23	-57.44
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142318	0	43	-1.0	-65.39	347.29	7.18	-58.21
CCN1C=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])N=C1C	REAL300008142319	0	38	-1.0	-63.16	315.04	5.28	-57.88
CC1CCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1C(=O)[O-]	REAL300008142320	0	38	-1.0	-63.93	307.36	5.05	-58.88
CC1CCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1C(=O)[O-]	REAL300008142321	0	37	-1.0	-50.13	295.75	4.73	-45.40
CC1CCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1C(=O)[O-]	REAL300008142322	0	44	-1.0	-51.35	357.70	6.44	-44.91
CC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C(F)(F)F	REAL300008142323	0	38	-1.0	-60.61	329.37	7.11	-53.50
CC1CCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1C(=O)[O-]	REAL300008142324	0	38	-1.0	-58.11	348.18	6.31	-51.80
CC1CCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1C(=O)[O-]	REAL300008142325	0	41	-1.0	-62.31	339.77	7.20	-55.11
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(C)C3C(=O)[O-])C=C12	REAL300008142326	0	40	-1.0	-58.46	341.26	5.33	-53.13
COCC1=CC=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142327	0	39	-1.0	-60.26	330.02	5.31	-54.95
CC1CCN(S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C1C(=O)[O-]	REAL300008142328	0	43	-1.0	-65.15	343.67	6.79	-58.36
CC1CCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1C(=O)[O-]	REAL300008142329	0	35	-1.0	-63.79	307.55	6.69	-57.10
CC1CCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1C(=O)[O-]	REAL300008142330	0	40	-1.0	-75.31	343.18	6.19	-69.12
CC1CCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1C(=O)[O-]	REAL300008142331	0	35	-1.0	-63.91	328.14	7.07	-56.84
CC1CC2=CC(S(=O)(=O)N3CCC(C)C3C(=O)[O-])=CC=C2O1	REAL300008142332	0	40	-1.0	-59.77	331.87	6.20	-53.57
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142333	0	44	-1.0	-58.79	325.57	8.17	-50.62
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142334	0	44	-1.0	-67.90	355.08	4.09	-63.81
CC1CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1C(=O)[O-]	REAL300008142335	0	43	-1.0	-60.16	378.42	8.74	-51.42
CC1CCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1C(=O)[O-]	REAL300008142336	0	38	-1.0	-59.54	341.78	6.24	-53.30
CC1CCN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1C(=O)[O-]	REAL300008142337	0	38	-1.0	-57.73	358.50	6.76	-50.97
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C)C3C(=O)[O-])C=C2)=CO1	REAL300008142338	0	41	-1.0	-62.24	352.23	4.64	-57.60
CC1CCN(S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C1C(=O)[O-]	REAL300008142339	0	35	-1.0	-63.31	297.07	3.96	-59.35
CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1C(=O)[O-]	REAL300008142340	0	35	-1.0	-58.39	304.70	6.00	-52.39
CC1CCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1C(=O)[O-]	REAL300008142341	0	35	-1.0	-59.52	295.34	4.13	-55.39
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=N1	REAL300008142342	0	35	-1.0	-56.93	302.10	2.27	-54.66
CC1CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1C(=O)[O-]	REAL300008142343	0	40	-1.0	-59.96	328.64	6.22	-53.74
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(C)C3C(=O)[O-])C=N2)C=C1	REAL300008142344	0	42	-1.0	-57.86	356.91	7.41	-50.45
CC1CC2=CC(S(=O)(=O)N3CCC(C)C3C(=O)[O-])=CC(Cl)=C2O1	REAL300008142345	0	40	-1.0	-56.48	348.72	6.71	-49.77
CC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008142346	0	37	-1.0	-55.00	317.21	6.57	-48.43
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=N1	REAL300008142347	0	43	-1.0	-64.57	362.69	6.36	-58.21
CC1CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1C(=O)[O-]	REAL300008142348	0	34	-1.0	-57.16	301.29	4.95	-52.21
CC1CCN(S(=O)(=O)C2=CC=C(N(C)C)C=C2)C1C(=O)[O-]	REAL300008142349	0	40	-1.0	-51.34	321.73	5.04	-46.30
CC1=CC2=CC=C(S(=O)(=O)N3CCC(C)C3C(=O)[O-])C=C2C=C1	REAL300008142350	0	41	-1.0	-61.35	342.23	8.53	-52.82
COC1=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])SC=C1	REAL300008142351	0	33	-1.0	-67.77	297.66	4.26	-63.51
CC1CCN(S(=O)(=O)C2=CC=CC(N(C)C)=C2)C1C(=O)[O-]	REAL300008142352	0	40	-1.0	-61.61	327.45	6.01	-55.60
CC1CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1C(=O)[O-]	REAL300008142353	0	37	-1.0	-67.16	309.74	5.42	-61.74
CC1CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1C(=O)[O-]	REAL300008142354	0	37	-1.0	-64.07	317.42	5.58	-58.49
CC1CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1C(=O)[O-]	REAL300008142355	0	37	-1.0	-59.38	305.10	5.31	-54.07
CC1CCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1C(=O)[O-]	REAL300008142356	0	38	-1.0	-62.46	338.84	7.56	-54.90
CC1CCN(S(=O)(=O)C2=CC=C3CCCN(C)C3=C2)C1C(=O)[O-]	REAL300008142357	0	44	-1.0	-61.84	347.19	5.95	-55.89
CC1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1C(=O)[O-]	REAL300008142358	0	34	-1.0	-55.65	310.42	4.90	-50.75
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142359	0	40	-1.0	-71.36	331.70	5.75	-65.61
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142360	0	40	-1.0	-54.41	318.55	7.00	-47.41
CC1=CC=C(C)C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1[N+](=O)[O-]	REAL300008142361	0	40	-1.0	-60.78	321.18	7.91	-52.87
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008142362	0	40	-1.0	-68.48	327.96	7.26	-61.22
COC1=CC=C(CCS(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142363	0	42	-1.0	-63.07	347.01	6.16	-56.91
COC1=CN=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142364	0	35	-1.0	-58.56	299.52	3.06	-55.50
CC1CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C1C(=O)[O-]	REAL300008142365	0	41	-1.0	-47.24	337.01	6.17	-41.07
CC1CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1C(=O)[O-]	REAL300008142366	0	39	-1.0	-49.36	318.41	6.71	-42.65
COC1=CC(OC)=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142367	0	40	-1.0	-63.35	331.96	4.00	-59.35
CC1CCN(S(=O)(=O)CCC2CCCCC2)C1C(=O)[O-]	REAL300008142368	0	44	-1.0	-62.74	342.56	7.26	-55.48
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-])OCO2	REAL300008142369	0	38	-1.0	-58.63	303.59	4.53	-54.10
CC1CCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1C(=O)[O-]	REAL300008142370	0	35	-1.0	-65.64	301.73	5.80	-59.84
COC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CC=C1Cl	REAL300008142371	0	36	-1.0	-57.46	318.50	5.26	-52.20
CC1=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008142372	0	40	-1.0	-53.87	317.23	6.19	-47.68
CCC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1CC	REAL300008142373	0	44	-1.0	-61.32	350.03	7.95	-53.37
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142374	0	40	-1.0	-52.76	327.84	7.61	-45.15
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142375	0	42	-1.0	-54.12	329.02	6.23	-47.89
CC1=C(C)SC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142376	0	35	-1.0	-58.81	301.49	5.84	-52.97
CC1CCN(S(=O)(=O)C2=CC(Cl)=CN=C2N)C1C(=O)[O-]	REAL300008142377	0	33	-1.0	-52.96	292.25	3.42	-49.54
CCC1=NC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])S1	REAL300008142378	0	34	-1.0	-58.74	307.82	3.90	-54.84
CC1CCN(S(=O)(=O)C2=CC=C(N(C)C)N=C2)C1C(=O)[O-]	REAL300008142379	0	39	-1.0	-61.07	323.59	5.37	-55.70
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])S1	REAL300008142380	0	35	-1.0	-58.41	302.52	6.10	-52.31
CC1CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1C(=O)[O-]	REAL300008142381	0	38	-1.0	-51.62	309.04	6.22	-45.40
CC1CCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1C(=O)[O-]	REAL300008142382	0	35	-1.0	-49.39	298.93	3.38	-46.01
CC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CC(C)=C1F	REAL300008142383	0	38	-1.0	-45.86	316.24	5.96	-39.90
CC1CCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1C(=O)[O-]	REAL300008142384	0	39	-1.0	-62.05	330.94	5.33	-56.72
CC1CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1C(=O)[O-]	REAL300008142385	0	34	-1.0	-63.85	297.61	4.99	-58.86
CC1CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1C(=O)[O-]	REAL300008142386	0	35	-1.0	-62.95	312.49	6.73	-56.22
CC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CC=C1Cl	REAL300008142387	0	35	-1.0	-57.67	308.46	6.48	-51.19
CC1CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1C(=O)[O-]	REAL300008142388	0	38	-1.0	-51.80	320.88	5.71	-46.09
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC(C)C3C(=O)[O-])C=C2)=N1	REAL300008142389	0	41	-1.0	-60.92	362.07	7.05	-53.87
CC1CCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1C(=O)[O-]	REAL300008142390	0	40	-1.0	-53.10	314.04	5.84	-47.26
CC1CCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1C(=O)[O-]	REAL300008142391	0	39	-1.0	-66.27	340.06	3.46	-62.81
CC1CCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1C(=O)[O-]	REAL300008142392	0	41	-1.0	-51.14	324.14	4.98	-46.16
CC1CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1C(=O)[O-]	REAL300008142393	0	35	-1.0	-60.88	313.94	6.75	-54.13
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142394	0	57	-1.0	-58.86	456.17	10.51	-48.35
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142395	0	45	-1.0	-60.09	364.99	7.25	-52.84
COC(CS(=O)(=O)N1CCC(C)C1C(=O)[O-])C1CCCC1	REAL300008142396	0	45	-1.0	-61.63	346.43	5.90	-55.73
COC(CS(=O)(=O)N1CCC(C)C1C(=O)[O-])C1CCCCC1	REAL300008142397	0	48	-1.0	-61.57	361.84	6.47	-55.10
CC1CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1C(=O)[O-]	REAL300008142398	0	46	-1.0	-61.90	392.44	8.94	-52.96
CCOC(CS(=O)(=O)N1CCC(C)C1C(=O)[O-])C1CC1	REAL300008142399	0	42	-1.0	-66.58	342.31	5.77	-60.81
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C(C)C	REAL300008142400	0	51	-1.0	-58.41	406.40	8.64	-49.77
CCC1=NC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CN1CC1CC1	REAL300008142401	0	45	-1.0	-62.02	366.19	7.48	-54.54
CC1CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1C(=O)[O-]	REAL300008142402	0	35	-1.0	-57.80	314.69	5.12	-52.68
CC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008142403	0	40	-1.0	-56.28	332.20	7.64	-48.64
CC1CCN(S(=O)(=O)C2=C(C3CC3)C=NN2C)C1C(=O)[O-]	REAL300008142404	0	39	-1.0	-48.27	309.16	4.18	-44.09
CC1CCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1C(=O)[O-]	REAL300008142405	0	45	-1.0	-49.69	374.60	6.94	-42.75
CC1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C1C(=O)[O-]	REAL300008142406	0	35	-1.0	-53.70	312.64	4.04	-49.66
CC1CCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1C(=O)[O-]	REAL300008142407	0	43	-1.0	-59.06	375.54	9.69	-49.37
CC1CCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1C(=O)[O-]	REAL300008142408	0	42	-1.0	-66.93	329.63	8.57	-58.36
CCC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C(C)C=C1OC	REAL300008142409	0	45	-1.0	-61.95	353.01	6.89	-55.06
CC1CCN(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1C(=O)[O-]	REAL300008142410	0	38	-1.0	-56.00	347.03	7.45	-48.55
CC1CCN(S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C1C(=O)[O-]	REAL300008142411	0	34	-1.0	-57.54	295.72	3.62	-53.92
CC1=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008142412	0	41	-1.0	-53.25	314.40	7.46	-45.79
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=N1	REAL300008142413	0	41	-1.0	-55.05	338.46	4.02	-51.03
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142414	0	36	-1.0	-59.99	306.01	5.52	-54.47
CCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C(C)C	REAL300008142415	0	48	-1.0	-58.82	384.91	7.84	-50.98
CC1CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C1C(=O)[O-]	REAL300008142416	0	44	-1.0	-57.06	351.20	7.64	-49.42
CC1CCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1C(=O)[O-]	REAL300008142417	0	51	-1.0	-64.51	397.61	10.02	-54.49
CC1CCN(S(=O)(=O)C2=C3CCCCC3=NN2C)C1C(=O)[O-]	REAL300008142418	0	42	-1.0	-51.00	329.89	4.95	-46.05
CC1CCN(S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C1C(=O)[O-]	REAL300008142419	0	44	-1.0	-65.43	350.16	5.81	-59.62
CC1CCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1C(=O)[O-]	REAL300008142420	0	42	-1.0	-48.66	336.83	4.91	-43.75
CC1CCN(S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C1C(=O)[O-]	REAL300008142421	0	35	-1.0	-49.61	297.65	4.19	-45.42
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142422	0	39	-1.0	-64.13	328.65	5.67	-58.46
C=CCCC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142423	0	42	-1.0	-60.52	353.04	8.36	-52.16
CCC1=NN(C)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142424	0	38	-1.0	-59.23	308.26	4.24	-54.99
CCCCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C(C)C	REAL300008142425	0	54	-1.0	-59.79	427.90	9.42	-50.37
CC1CCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1C(=O)[O-]	REAL300008142426	0	36	-1.0	-46.67	313.93	6.26	-40.41
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C(C)(C)C	REAL300008142427	0	54	-1.0	-60.24	418.96	9.31	-50.93
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1CC	REAL300008142428	0	48	-1.0	-59.57	389.50	8.10	-51.47
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142429	0	38	-1.0	-44.32	303.13	6.37	-37.95
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142430	0	38	-1.0	-61.31	331.03	7.44	-53.87
CC1CCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1C(=O)[O-]	REAL300008142431	0	36	-1.0	-48.48	311.44	6.17	-42.31
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142432	0	41	-1.0	-63.51	320.28	7.88	-55.63
COC1=NC=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142433	0	35	-1.0	-63.21	290.89	2.67	-60.54
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142434	0	48	-1.0	-55.75	377.00	7.08	-48.67
CC1CCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1C(=O)[O-]	REAL300008142435	0	37	-1.0	-62.89	298.92	5.58	-57.31
CC1=CSC(C)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142436	0	35	-1.0	-46.05	289.18	5.23	-40.82
CC1CCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1C(=O)[O-]	REAL300008142437	0	39	-1.0	-58.15	322.88	5.09	-53.06
CC1CCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1C(=O)[O-]	REAL300008142438	0	39	-1.0	-55.07	322.55	5.42	-49.65
CC1CCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1C(=O)[O-]	REAL300008142439	0	42	-1.0	-54.40	333.03	5.98	-48.42
CC1CCN(S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C1C(=O)[O-]	REAL300008142440	0	43	-1.0	-54.87	347.96	2.71	-52.16
CC1CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1C(=O)[O-]	REAL300008142441	0	38	-1.0	-60.02	344.05	6.32	-53.70
CC1CCN(S(=O)(=O)C2=CN=C3CCCCN23)C1C(=O)[O-]	REAL300008142442	0	39	-1.0	-60.03	313.65	5.52	-54.51
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C(C)C	REAL300008142443	0	57	-1.0	-58.25	449.40	10.20	-48.05
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C	REAL300008142444	0	48	-1.0	-61.80	371.63	7.18	-54.62
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142445	0	42	-1.0	-63.34	336.23	6.77	-56.57
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C(C)C	REAL300008142446	0	55	-1.0	-60.18	440.39	8.06	-52.12
CC1CC2=CC=CC(S(=O)(=O)N3CCC(C)C3C(=O)[O-])=C2O1	REAL300008142447	0	40	-1.0	-67.06	330.89	6.18	-60.88
CC1CCN(S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C1C(=O)[O-]	REAL300008142448	0	40	-1.0	-58.95	346.48	4.98	-53.97
CC1CCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1C(=O)[O-]	REAL300008142449	0	38	-1.0	-47.46	313.34	5.41	-42.05
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142450	0	37	-1.0	-56.68	303.19	3.98	-52.70
CC1CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1C(=O)[O-]	REAL300008142451	0	41	-1.0	-59.08	319.85	5.57	-53.51
CC1CCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1C(=O)[O-]	REAL300008142452	0	33	-1.0	-54.32	284.16	4.28	-50.04
CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1C(=O)[O-]	REAL300008142453	0	35	-1.0	-58.72	308.12	6.92	-51.80
CC1CCN(S(=O)(=O)C2=CC(C3CC3)=NN2C)C1C(=O)[O-]	REAL300008142454	0	39	-1.0	-53.48	320.05	5.26	-48.22
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C)=C1F	REAL300008142455	0	41	-1.0	-49.35	313.17	6.62	-42.73
COC1=CC=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1OC	REAL300008142456	0	40	-1.0	-62.87	328.98	5.28	-57.59
CC1CCN(S(=O)(=O)C2=COC3=CC=CC=C23)C1C(=O)[O-]	REAL300008142457	0	35	-1.0	-50.31	293.04	4.77	-45.54
CC1CCN(S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C1C(=O)[O-]	REAL300008142458	0	45	-1.0	-50.69	353.64	5.26	-45.43
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142459	0	44	-1.0	-54.61	341.83	4.95	-49.66
CCCCN1C=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C)=N1	REAL300008142460	0	44	-1.0	-59.81	355.81	5.99	-53.82
CC1CCN(S(=O)(=O)C2=CN(C)N=C2C2CC2)C1C(=O)[O-]	REAL300008142461	0	39	-1.0	-60.45	324.24	5.30	-55.15
CC1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1C(=O)[O-]	REAL300008142462	0	36	-1.0	-62.20	315.08	5.16	-57.04
CC1CCN(S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C1C(=O)[O-]	REAL300008142463	0	37	-1.0	-54.45	316.90	3.15	-51.30
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1Br	REAL300008142464	0	38	-1.0	-63.25	323.26	7.26	-55.99
CC1CCN(S(=O)(=O)N2CCCC(C)(C)C2)C1C(=O)[O-]	REAL300008142465	0	43	-1.0	-59.99	324.39	5.89	-54.10
CC1CCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1C(=O)[O-]	REAL300008142466	0	38	-1.0	-56.61	341.13	6.53	-50.08
CC1CCN(S(=O)(=O)C2=CN(C)N=C2C2CCC2)C1C(=O)[O-]	REAL300008142467	0	42	-1.0	-49.74	331.19	4.66	-45.08
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142468	0	50	-1.0	-63.36	375.06	9.08	-54.28
CC1CCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1C(=O)[O-]	REAL300008142469	0	38	-1.0	-56.25	346.15	7.47	-48.78
CC1CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1C(=O)[O-]	REAL300008142470	0	42	-1.0	-60.71	343.28	6.14	-54.57
CC1CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1C(=O)[O-]	REAL300008142471	0	36	-1.0	-64.62	314.69	6.70	-57.92
CC1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1C(=O)[O-]	REAL300008142472	0	43	-1.0	-52.76	368.86	7.63	-45.13
COC1=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008142473	0	41	-1.0	-60.20	326.33	6.09	-54.11
CCCC1=CC=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142474	0	41	-1.0	-60.20	339.34	7.80	-52.40
CC1CCN(S(=O)(=O)C2=C3CCCC3=NN2C)C1C(=O)[O-]	REAL300008142475	0	39	-1.0	-57.59	320.75	5.06	-52.53
CC1CCN(S(=O)(=O)C2=CC=NN2C(C)(C)C)C1C(=O)[O-]	REAL300008142476	0	41	-1.0	-55.40	309.36	5.10	-50.30
CC1CCN(S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C1C(=O)[O-]	REAL300008142477	0	41	-1.0	-57.84	339.46	5.33	-52.51
CC1CCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1C(=O)[O-]	REAL300008142478	0	39	-1.0	-48.13	314.28	3.48	-44.65
CC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300008142479	0	37	-1.0	-56.69	323.97	5.22	-51.47
CC1CCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1C(=O)[O-]	REAL300008142480	0	35	-1.0	-44.60	318.31	5.81	-38.79
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142481	0	43	-1.0	-64.88	359.54	7.62	-57.26
CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1C(=O)[O-]	REAL300008142482	0	43	-1.0	-62.78	339.32	8.54	-54.24
CC1CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1C(=O)[O-]	REAL300008142483	0	38	-1.0	-58.02	333.05	6.50	-51.52
CC1CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1C(=O)[O-]	REAL300008142484	0	38	-1.0	-58.55	313.00	5.92	-52.63
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142485	0	42	-1.0	-57.36	372.04	6.35	-51.01
CC1CCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1C(=O)[O-]	REAL300008142486	0	32	-1.0	-66.14	290.28	5.59	-60.55
CC1CCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1C(=O)[O-]	REAL300008142487	0	39	-1.0	-59.94	324.18	7.70	-52.24
COC1=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=CS1	REAL300008142488	0	33	-1.0	-50.33	294.17	3.17	-47.16
CC1CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1C(=O)[O-]	REAL300008142489	0	42	-1.0	-55.22	334.03	6.09	-49.13
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142490	0	41	-1.0	-50.30	334.32	4.58	-45.72
CC1CCN(S(=O)(=O)N(C)C2CCCCCC2)C1C(=O)[O-]	REAL300008142491	0	46	-1.0	-63.21	347.70	6.43	-56.78
CC1CCN(S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)C1C(=O)[O-]	REAL300008142492	0	46	-1.0	-50.20	363.51	3.49	-46.71
CC1CCN(S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C1C(=O)[O-]	REAL300008142493	0	38	-1.0	-59.64	328.18	7.12	-52.52
CC1CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1C(=O)[O-]	REAL300008142494	0	36	-1.0	-59.28	314.21	5.17	-54.11
CC1CCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300008142495	0	47	-1.0	-58.50	365.15	8.16	-50.34
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])S1	REAL300008142496	0	33	-1.0	-57.79	298.73	4.05	-53.74
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=NC=CC=C12	REAL300008142497	0	43	-1.0	-55.32	335.03	6.73	-48.59
CC1CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1C(=O)[O-]	REAL300008142498	0	40	-1.0	-59.14	324.67	5.63	-53.51
CC1CCN(S(=O)(=O)C2=CN(CCF)N=C2)C1C(=O)[O-]	REAL300008142499	0	35	-1.0	-60.22	307.62	4.31	-55.91
CCOCC1=CC=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142500	0	42	-1.0	-60.26	351.88	6.28	-53.98
CC1CCN(S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C1C(=O)[O-]	REAL300008142501	0	42	-1.0	-54.31	347.77	6.74	-47.57
CC1CCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1C(=O)[O-]	REAL300008142502	0	45	-1.0	-56.90	361.33	6.56	-50.34
CC1CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1C(=O)[O-]	REAL300008142503	0	43	-1.0	-59.11	364.52	8.43	-50.68
CC1CCN(S(=O)(=O)C2=CC=CC=C2CF)C1C(=O)[O-]	REAL300008142504	0	35	-1.0	-64.20	291.02	6.59	-57.61
CC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CC(C)=C1Br	REAL300008142505	0	38	-1.0	-46.41	326.91	6.37	-40.04
CC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=CC=CC=C12	REAL300008142506	0	41	-1.0	-52.94	318.42	7.15	-45.79
CC1CCN(S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C1C(=O)[O-]	REAL300008142507	0	42	-1.0	-59.85	341.78	6.64	-53.21
CC1CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1C(=O)[O-]	REAL300008142508	0	36	-1.0	-48.37	303.61	5.81	-42.56
CC1CCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1C(=O)[O-]	REAL300008142509	0	36	-1.0	-46.54	318.50	6.36	-40.18
CC1CCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1C(=O)[O-]	REAL300008142510	0	36	-1.0	-47.85	318.49	6.37	-41.48
CC1CCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1C(=O)[O-]	REAL300008142511	0	37	-1.0	-71.78	319.90	-0.49	-72.27
CC1CCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1C(=O)[O-]	REAL300008142512	0	35	-1.0	-46.64	290.98	5.04	-41.60
CC1CCN(S(=O)(=O)C2CCC(F)(F)CC2)C1C(=O)[O-]	REAL300008142513	0	38	-1.0	-63.84	309.47	5.98	-57.86
CC1CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1C(=O)[O-]	REAL300008142514	0	34	-1.0	-49.52	303.67	4.11	-45.41
CC1CCN(S(=O)(=O)CCOC2CCOC2)C1C(=O)[O-]	REAL300008142515	0	40	-1.0	-62.11	326.83	2.67	-59.44
CC1=NC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008142516	0	41	-1.0	-58.12	348.25	4.14	-53.98
CC1CCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1C(=O)[O-]	REAL300008142517	0	49	-1.0	-65.59	348.72	8.37	-57.22
CC1CCN(S(=O)(=O)CC2CC(C)(C)CO2)C1C(=O)[O-]	REAL300008142518	0	42	-1.0	-64.53	328.84	5.06	-59.47
CC1CCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1C(=O)[O-]	REAL300008142519	0	35	-1.0	-70.55	303.24	1.05	-69.50
CC1CCN(S(=O)(=O)CC(C)(C)C(C)(F)F)C1C(=O)[O-]	REAL300008142520	0	40	-1.0	-61.10	316.33	5.91	-55.19
CC1CCN(S(=O)(=O)CCCCS(C)(=O)=O)C1C(=O)[O-]	REAL300008142521	0	40	-1.0	-72.52	347.82	2.29	-70.23
CC1CCN(S(=O)(=O)CC2CCC(C)(C)CO2)C1C(=O)[O-]	REAL300008142522	0	45	-1.0	-65.11	343.44	5.64	-59.47
CC1CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1C(=O)[O-]	REAL300008142523	0	42	-1.0	-62.89	342.51	7.78	-55.11
CC1CCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1C(=O)[O-]	REAL300008142524	0	36	-1.0	-69.94	318.29	4.56	-65.38
CC1CCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1C(=O)[O-]	REAL300008142525	0	42	-1.0	-68.53	358.78	8.39	-60.14
CC1CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1C(=O)[O-]	REAL300008142526	0	41	-1.0	-69.67	321.98	3.28	-66.39
CC1CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1C(=O)[O-]	REAL300008142527	0	45	-1.0	-48.33	335.70	6.71	-41.62
CC1CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1C(=O)[O-]	REAL300008142528	0	36	-1.0	-58.84	318.75	6.92	-51.92
CC1CCN(S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C1C(=O)[O-]	REAL300008142529	0	54	-1.0	-61.58	402.62	9.57	-52.01
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142530	0	43	-1.0	-60.98	350.09	6.41	-54.57
COC1=CSC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1OC	REAL300008142531	0	37	-1.0	-58.05	318.99	4.29	-53.76
CC1CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1C(=O)[O-]	REAL300008142532	0	44	-1.0	-58.28	329.23	5.95	-52.33
CC1CCN(S(=O)(=O)N(C)CCC2=CC=CC=C2)C1C(=O)[O-]	REAL300008142533	0	43	-1.0	-63.63	349.27	7.13	-56.50
CC1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1C(=O)[O-]	REAL300008142534	0	36	-1.0	-67.48	323.98	6.29	-61.19
COC1=CC(F)=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(F)=C1	REAL300008142535	0	36	-1.0	-48.70	305.22	4.16	-44.54
CC1CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1C(=O)[O-]	REAL300008142536	0	36	-1.0	-63.70	318.45	5.04	-58.66
CC1CCN(S(=O)(=O)C2=C3C=CC=CC3=NN2C)C1C(=O)[O-]	REAL300008142537	0	38	-1.0	-55.45	318.34	5.54	-49.91
CC1CCN(S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C1C(=O)[O-]	REAL300008142538	0	39	-1.0	-62.92	322.99	7.26	-55.66
CC1CCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1C(=O)[O-]	REAL300008142539	0	41	-1.0	-57.24	348.16	5.97	-51.27
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142540	0	45	-1.0	-59.24	366.14	7.81	-51.43
CC1CCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1C(=O)[O-]	REAL300008142541	0	43	-1.0	-58.97	363.64	8.43	-50.54
CC1CCN(S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C1C(=O)[O-]	REAL300008142542	0	38	-1.0	-66.69	305.27	7.32	-59.37
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1C(=O)[O-]	REAL300008142543	0	33	-1.0	-46.76	313.71	3.56	-43.20
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142544	0	43	-1.0	-60.24	358.60	7.22	-53.02
CCN1C=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C2CC2)=N1	REAL300008142545	0	42	-1.0	-62.41	348.22	6.17	-56.24
CC1=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=NSN=C2C=C1	REAL300008142546	0	36	-1.0	-64.59	310.64	4.55	-60.04
CC1CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1C(=O)[O-]	REAL300008142547	0	38	-1.0	-58.97	337.57	8.38	-50.59
CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1C(=O)[O-]	REAL300008142548	0	42	-1.0	-50.48	363.71	8.65	-41.83
CC1CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1C(=O)[O-]	REAL300008142549	0	31	-1.0	-53.48	294.85	3.51	-49.97
CCC1=CC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=CC=C1Br	REAL300008142550	0	38	-1.0	-57.38	332.01	7.26	-50.12
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142551	0	45	-1.0	-51.22	354.18	5.72	-45.50
CC1CCN(S(=O)(=O)C2=CC(Cl)=CS2)C1C(=O)[O-]	REAL300008142552	0	29	-1.0	-55.16	277.95	5.06	-50.10
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142553	0	46	-1.0	-53.59	367.27	4.96	-48.63
CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1C(=O)[O-]	REAL300008142554	0	38	-1.0	-48.57	317.96	7.12	-41.45
CC1CCN(S(=O)(=O)C2=C3COCCC3=NN2C)C1C(=O)[O-]	REAL300008142555	0	40	-1.0	-53.61	318.94	3.10	-50.51
CC1CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1C(=O)[O-]	REAL300008142556	0	39	-1.0	-64.60	306.96	7.26	-57.34
CC1CCN(S(=O)(=O)N2CCC(C)(C)CC2)C1C(=O)[O-]	REAL300008142557	0	43	-1.0	-60.14	330.08	5.48	-54.66
CC1CCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1C(=O)[O-]	REAL300008142558	0	47	-1.0	-60.61	377.71	5.96	-54.65
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142559	0	35	-1.0	-46.73	305.23	2.35	-44.38
COC1=NC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1C	REAL300008142560	0	38	-1.0	-57.13	322.26	3.00	-54.13
CC(C)CN1C=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=N1	REAL300008142561	0	41	-1.0	-46.33	336.13	4.82	-41.51
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142562	0	41	-1.0	-59.41	327.55	5.10	-54.31
CC1CCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1C(=O)[O-]	REAL300008142563	0	42	-1.0	-61.79	340.80	3.32	-58.47
CC1CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1C(=O)[O-]	REAL300008142564	0	37	-1.0	-60.06	320.40	7.63	-52.43
CC1CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=N2)C1C(=O)[O-]	REAL300008142565	0	43	-1.0	-61.86	348.13	5.94	-55.92
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142566	0	38	-1.0	-53.60	310.32	4.68	-48.92
CC1CCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1C(=O)[O-]	REAL300008142567	0	39	-1.0	-56.54	325.48	5.47	-51.07
CC1CCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1C(=O)[O-]	REAL300008142568	0	39	-1.0	-51.81	315.62	5.28	-46.53
CC1CCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1C(=O)[O-]	REAL300008142569	0	34	-1.0	-61.95	303.92	4.48	-57.47
CC1CCN(S(=O)(=O)N2CCC3=CC=CN=C32)C1C(=O)[O-]	REAL300008142570	0	37	-1.0	-70.14	310.02	5.96	-64.18
CC1=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=NN1C(C)C	REAL300008142571	0	41	-1.0	-58.02	326.88	5.16	-52.86
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300008142572	0	46	-1.0	-60.18	385.42	9.15	-51.03
CC1CCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1C(=O)[O-]	REAL300008142573	0	37	-1.0	-56.89	309.66	5.45	-51.44
CC1CCN(S(=O)(=O)N2CC=C(Br)CC2)C1C(=O)[O-]	REAL300008142574	0	35	-1.0	-57.64	306.35	5.29	-52.35
CC1CCN(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)C1C(=O)[O-]	REAL300008142575	0	40	-1.0	-66.10	327.30	1.31	-64.79
CC1CCN(S(=O)(=O)N2CC3CCC(C2)O3)C1C(=O)[O-]	REAL300008142576	0	39	-1.0	-58.10	291.35	3.24	-54.86
CC1CCN(S(=O)(=O)N2CCC(C#N)CC2)C1C(=O)[O-]	REAL300008142577	0	38	-1.0	-61.99	310.83	4.84	-57.15
COC1=CC=NC(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142578	0	35	-1.0	-62.94	296.51	2.89	-60.05
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C(C(F)F)=C1	REAL300008142579	0	39	-1.0	-55.80	321.58	5.17	-50.63
COC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])N=C1	REAL300008142580	0	35	-1.0	-61.55	301.13	2.92	-58.63
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142581	0	38	-1.0	-46.82	327.68	2.84	-43.98
CC1CCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1C(=O)[O-]	REAL300008142582	0	37	-1.0	-62.13	308.78	5.25	-56.88
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(C)C1C(=O)[O-]	REAL300008142583	0	38	-1.0	-56.07	313.03	4.00	-52.07
CC1=CC=C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])C2=NC=CC=C12	REAL300008142584	0	40	-1.0	-71.46	322.55	7.03	-64.43
CC1CCN(S(=O)(=O)C2=CNC3=CC=CC=C23)C1C(=O)[O-]	REAL300008142585	0	36	-1.0	-66.63	299.24	5.37	-61.26
CC1CCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1C(=O)[O-]	REAL300008142586	0	34	-1.0	-52.21	301.45	3.94	-48.27
CC1CCN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1C(=O)[O-]	REAL300008142587	0	39	-1.0	-63.24	337.89	6.36	-56.88
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300008142588	0	45	-1.0	-65.91	354.25	7.47	-58.44
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CCC2=C1	REAL300008142589	0	42	-1.0	-49.17	351.06	8.35	-40.82
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CCC2=C1	REAL300008142590	0	42	-1.0	-55.14	351.46	8.35	-46.79
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)CCC2=C1	REAL300008142591	0	45	-1.0	-51.98	364.81	9.08	-42.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C)=CC(C)=C2C1	REAL300008142592	0	46	-1.0	-54.90	374.51	8.19	-46.71
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CCC2=C1	REAL300008142593	0	45	-1.0	-54.63	367.46	8.89	-45.74
CC1=CC(C)=C2CN(S(=O)(=O)C3=C(C(=O)[O-])SC=C3)CCC2=C1	REAL300008142594	0	39	-1.0	-58.27	334.27	7.93	-50.34
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CCC2=C1	REAL300008142595	0	42	-1.0	-55.14	351.46	8.35	-46.79
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CCC2=C1	REAL300008142596	0	42	-1.0	-49.17	351.06	8.35	-40.82
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])CCC2=C1	REAL300008142597	0	42	-1.0	-67.25	342.90	9.37	-57.88
CC1=CC(C)=C2CN(S(=O)(=O)C3=CNC(C(=O)[O-])=C3)CCC2=C1	REAL300008142598	0	40	-1.0	-52.83	339.96	6.07	-46.76
CC1=CC(C)=C2CN(S(=O)(=O)C3=CN(CC(=O)[O-])N=C3)CCC2=C1	REAL300008142599	0	42	-1.0	-52.26	356.53	6.44	-45.82
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])S3)CCC2=C1	REAL300008142600	0	39	-1.0	-49.07	343.71	7.49	-41.58
CC1=CC(C)=C2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CCC2=C1	REAL300008142601	0	39	-1.0	-53.23	324.13	5.24	-47.99
CC1=CC(C)=C2CN(S(=O)(=O)N3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300008142602	0	47	-1.0	-48.54	370.07	7.47	-41.07
CC1=CC(C)=C2CN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CCC2=C1	REAL300008142603	0	47	-1.0	-47.90	370.50	7.49	-40.41
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])CCC2=C1	REAL300008142604	0	42	-1.0	-67.25	342.90	9.37	-57.88
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC(Cl)=CC=C3C(=O)[O-])CCC2=C1	REAL300008142605	0	42	-1.0	-55.78	356.93	9.76	-46.02
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCC2=C1	REAL300008142606	0	39	-1.0	-51.89	336.20	6.72	-45.17
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCC3=CC(C)=CC(C)=C3C2)O1	REAL300008142607	0	42	-1.0	-50.64	354.43	7.18	-43.46
CC1=CC(C)=C2CN(S(=O)(=O)CCCC(=O)[O-])CCC2=C1	REAL300008142608	0	41	-1.0	-52.75	337.05	6.99	-45.76
CC1=CC(C)=C2CN(S(=O)(=O)N3CCCC3C(=O)[O-])CCC2=C1	REAL300008142609	0	44	-1.0	-57.02	351.10	7.49	-49.53
CC1=CC(C)=C2CN(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CCC2=C1	REAL300008142610	0	45	-1.0	-58.52	374.81	9.09	-49.43
CC1=CC(C)=C2CN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CCC2=C1	REAL300008142611	0	47	-1.0	-47.90	370.50	7.49	-40.41
CC1=CC(C)=C2CN(S(=O)(=O)CC3=CC=CC(C(=O)[O-])=C3)CCC2=C1	REAL300008142612	0	45	-1.0	-60.43	374.82	9.08	-51.35
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCC2=C1	REAL300008142613	0	39	-1.0	-51.89	336.20	6.72	-45.17
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)CCC2=C1	REAL300008142614	0	46	-1.0	-48.97	382.15	8.63	-40.34
CC1=CC(C)=C2CN(S(=O)(=O)CCCC(=O)[O-])CCC2=C1	REAL300008142615	0	41	-1.0	-52.75	337.05	6.99	-45.76
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CCC2=C1	REAL300008142616	0	39	-1.0	-50.01	344.63	7.37	-42.64
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)CCC2=C1	REAL300008142617	0	48	-1.0	-55.61	373.89	9.18	-46.43
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=CC(C)=C3C(=O)[O-])CCC2=C1	REAL300008142618	0	45	-1.0	-67.09	365.21	9.21	-57.88
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=CC(C)=CC(C)=C3C2)=C1	REAL300008142619	0	49	-1.0	-54.23	406.53	8.07	-46.16
CC1=CC(C)=C2CN(S(=O)(=O)C3=CSC(C(=O)[O-])=C3)CCC2=C1	REAL300008142620	0	39	-1.0	-51.55	343.10	7.38	-44.17
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)CCC2=C1	REAL300008142621	0	45	-1.0	-51.62	359.05	8.90	-42.72
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)CCC2=C1	REAL300008142622	0	45	-1.0	-49.57	373.25	9.13	-40.44
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CO3)CCC2=C1	REAL300008142623	0	39	-1.0	-49.99	336.45	6.46	-43.53
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CCC2=C1	REAL300008142624	0	45	-1.0	-51.39	373.62	9.13	-42.26
CC1=C(S(=O)(=O)N2CCC3=CC(C)=CC(C)=C3C2)C=C(C(=O)[O-])O1	REAL300008142625	0	42	-1.0	-52.67	347.68	7.24	-45.43
CC1=CC(C)=C2CN(S(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)CCC2=C1	REAL300008142626	0	41	-1.0	-46.78	346.78	6.53	-40.25
CC1=CC(C)=C2CN(S(=O)(=O)C3=CSN=C3C(=O)[O-])CCC2=C1	REAL300008142627	0	38	-1.0	-60.83	331.32	6.49	-54.34
CC1=CC(C)=C2CN(S(=O)(=O)C3=C(C(=O)[O-])N=CS3)CCC2=C1	REAL300008142628	0	38	-1.0	-63.25	331.06	6.05	-57.20
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=CN=C3C(=O)[O-])CCC2=C1	REAL300008142629	0	41	-1.0	-64.71	336.96	7.41	-57.30
CC1=CC(C)=C2CN(S(=O)(=O)CCCCCC(=O)[O-])CCC2=C1	REAL300008142630	0	47	-1.0	-53.85	380.04	8.55	-45.30
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])N=C3)CCC2=C1	REAL300008142631	0	41	-1.0	-51.85	347.31	6.54	-45.31
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CCC2=C1	REAL300008142632	0	42	-1.0	-47.82	368.14	8.85	-38.97
COC1=CC=C(S(=O)(=O)N2CCC3=CC(C)=CC(C)=C3C2)C=C1C(=O)[O-]	REAL300008142633	0	46	-1.0	-58.81	378.73	8.42	-50.39
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)CCC2=C1	REAL300008142634	0	45	-1.0	-49.43	367.45	8.90	-40.53
CC1=CC(C)=C2CN(S(=O)(=O)N(C)CCC(=O)[O-])CCC2=C1	REAL300008142635	0	43	-1.0	-49.82	351.05	6.52	-43.30
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=CC4=C(C(=O)[O-])N=CC=C34)CCC2=C1	REAL300008142636	0	47	-1.0	-54.02	373.81	8.26	-45.76
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=CC(C)=CC(C)=C3C2)=C1	REAL300008142637	0	49	-1.0	-54.23	406.53	8.07	-46.16
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3)CCC2=C1	REAL300008142638	0	42	-1.0	-47.82	368.14	8.85	-38.97
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCC2=CC(C)=CC(C)=C2C1	REAL300008142639	0	42	-1.0	-53.35	344.76	8.50	-44.85
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)CCC2=C1	REAL300008142640	0	45	-1.0	-49.35	370.70	9.07	-40.28
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCC4=CC(C)=CC(C)=C4C3)C=C21	REAL300008142641	0	48	-1.0	-51.77	398.35	9.68	-42.09
CC1=CC(C)=C2CN(S(=O)(=O)CC3=CC=C(C(=O)[O-])C=C3)CCC2=C1	REAL300008142642	0	45	-1.0	-58.52	374.81	9.09	-49.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C)=CC(C)=C2C1	REAL300008142643	0	46	-1.0	-54.90	374.51	8.19	-46.71
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CCC2=C1	REAL300008142644	0	45	-1.0	-54.63	367.46	8.89	-45.74
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)CCC2=C1	REAL300008142645	0	45	-1.0	-51.98	364.81	9.08	-42.90
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C)=CC(C)=C2C1	REAL300008142646	0	46	-1.0	-46.91	378.17	8.45	-38.46
CC1=CC(C)=C2CN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CCC2=C1	REAL300008142647	0	45	-1.0	-50.77	362.95	8.21	-42.56
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CCC2=C1	REAL300008142648	0	45	-1.0	-51.39	373.62	9.13	-42.26
COC1=C(S(=O)(=O)N2CCC3=CC(C)=CC(C)=C3C2)SC(C(=O)[O-])=C1	REAL300008142649	0	43	-1.0	-48.39	373.04	7.27	-41.12
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C4OC(C(=O)[O-])CC4=C3)CCC2=C1	REAL300008142650	0	47	-1.0	-50.74	388.27	9.02	-41.72
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(C4(C(=O)[O-])CC4)C=C3)CCC2=C1	REAL300008142651	0	49	-1.0	-53.73	397.17	10.24	-43.49
CCC1=C(S(=O)(=O)N2CCC3=CC(C)=CC(C)=C3C2)C=C(C(=O)[O-])O1	REAL300008142652	0	45	-1.0	-52.72	370.15	7.95	-44.77
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])CCC2=C1	REAL300008142653	0	44	-1.0	-54.18	368.31	9.91	-44.27
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC([N+](=O)[O-])=CC=C3C(=O)[O-])CCC2=C1	REAL300008142654	0	44	-1.0	-49.59	368.39	9.92	-39.67
CC1=CC(C)=C2CN(S(=O)(=O)C3=CN=C(C)C(C(=O)[O-])=C3)CCC2=C1	REAL300008142655	0	44	-1.0	-47.18	363.06	7.04	-40.14
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC2=CC(C)=CC(C)=C2C1	REAL300008142656	0	46	-1.0	-49.51	374.54	8.21	-41.30
COC1=CC(S(=O)(=O)N2CCC3=CC(C)=CC(C)=C3C2)=CC=C1C(=O)[O-]	REAL300008142657	0	46	-1.0	-55.19	378.72	8.43	-46.76
COC1=CC=C(S(=O)(=O)N2CCC3=CC(C)=CC(C)=C3C2)C(CC(=O)[O-])=C1	REAL300008142658	0	49	-1.0	-61.63	392.65	8.53	-53.10
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(CC(=O)[O-])C(F)=C3)CCC2=C1	REAL300008142659	0	45	-1.0	-51.75	379.04	9.18	-42.57
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(C(C)(C)C(=O)[O-])C=C3)CCC2=C1	REAL300008142660	0	51	-1.0	-50.66	404.19	9.99	-40.67
CC1=CC(C)=C2CN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CCC2=C1	REAL300008142661	0	42	-1.0	-53.89	340.20	6.58	-47.31
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)CCC2=C1	REAL300008142662	0	48	-1.0	-52.42	377.41	10.02	-42.40
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCC3=CC(C)=CC(C)=C3C2)=C1	REAL300008142663	0	42	-1.0	-53.01	354.16	7.32	-45.69
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)CCC2=C1	REAL300008142664	0	42	-1.0	-51.09	363.97	8.75	-42.34
CC1=CC(C)=C2CN(S(=O)(=O)C3=C(C(=O)[O-])C=CO3)CCC2=C1	REAL300008142665	0	39	-1.0	-59.92	332.79	6.77	-53.15
CC1=CC(C)=C2CN(S(=O)(=O)C3(C(=O)[O-])CCC3)CCC2=C1	REAL300008142666	0	42	-1.0	-48.51	334.05	7.58	-40.93
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCC3=CC(C)=CC(C)=C3C2)=C1	REAL300008142667	0	46	-1.0	-61.17	367.32	8.58	-52.59
CC1=CC(C)=C2CN(S(=O)(=O)C3=NNC=C3C(=O)[O-])CCC2=C1	REAL300008142668	0	39	-1.0	-53.23	324.13	5.24	-47.99
CC1=CC(C)=C2CN(S(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CCC2=C1	REAL300008142669	0	42	-1.0	-53.89	340.20	6.58	-47.31
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C)=CC(C)=C2C1	REAL300008142671	0	49	-1.0	-50.66	394.54	8.34	-42.32
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)CCC2=C1	REAL300008142672	0	41	-1.0	-49.38	347.66	6.47	-42.91
CC1=CC(C)=C2CN(S(=O)(=O)CC3=CC=CC=C3C(=O)[O-])CCC2=C1	REAL300008142673	0	45	-1.0	-58.12	364.84	9.49	-48.63
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)CCC2=C1	REAL300008142674	0	39	-1.0	-47.18	351.64	6.97	-40.21
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CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)CC2	REAL300008142769	0	46	-1.0	-48.78	372.51	8.18	-40.60
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CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-])CC2	REAL300008142771	0	49	-1.0	-62.87	391.53	9.12	-53.75
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)CC2	REAL300008142772	0	45	-1.0	-50.29	376.61	9.14	-41.15
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)CC2	REAL300008142773	0	51	-1.0	-50.31	401.68	9.95	-40.36
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)CC2	REAL300008142774	0	42	-1.0	-50.90	338.88	6.59	-44.31
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=CC3=C(C(=O)[O-])C=CC=C13)CC2	REAL300008142775	0	48	-1.0	-51.82	374.92	10.00	-41.82
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1)CC2	REAL300008142776	0	42	-1.0	-52.66	351.78	7.29	-45.37
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CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-])CC2	REAL300008142780	0	46	-1.0	-61.12	367.01	8.53	-52.59
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=NNC=C1C(=O)[O-])CC2	REAL300008142781	0	39	-1.0	-53.34	321.74	5.21	-48.13
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=C(C(=O)[O-])C=NN1C)CC2	REAL300008142782	0	42	-1.0	-50.90	338.88	6.59	-44.31
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC)CC2	REAL300008142784	0	49	-1.0	-49.86	392.44	8.29	-41.57
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)CC2	REAL300008142785	0	41	-1.0	-48.38	344.85	6.44	-41.94
CCC1=CC=CC2=C1CN(S(=O)(=O)CC1=CC=CC=C1C(=O)[O-])CC2	REAL300008142786	0	45	-1.0	-58.28	362.28	9.45	-48.83
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)CC2	REAL300008142787	0	39	-1.0	-46.62	348.65	6.96	-39.66
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=C(C(=O)[O-])C3=CC=CC=C31)CC2	REAL300008142788	0	48	-1.0	-52.45	374.60	9.99	-42.46
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC=CC(CC)=C2C1	REAL300008142789	0	49	-1.0	-56.26	391.46	9.16	-47.10
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-])CC2	REAL300008142790	0	46	-1.0	-67.68	369.34	8.66	-59.02
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)CC2	REAL300008142791	0	41	-1.0	-56.80	345.05	6.53	-50.27
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=NNC(C(=O)[O-])=C1)CC2	REAL300008142792	0	39	-1.0	-44.73	332.42	4.56	-40.17
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC(C(=O)[O-])=NN1C)CC2	REAL300008142793	0	42	-1.0	-55.27	349.12	6.12	-49.15
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC3=CC=C(C(=O)[O-])C=C3C=C1)CC2	REAL300008142794	0	48	-1.0	-52.03	394.97	10.59	-41.44
CCC1=CC=CC2=C1CN(S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)CC2	REAL300008142795	0	42	-1.0	-51.22	338.27	7.45	-43.77
CCC1=CC=CC2=C1CN(S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)CC2	REAL300008142796	0	45	-1.0	-55.37	352.64	7.89	-47.48
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1)CC2	REAL300008142797	0	42	-1.0	-49.61	360.22	8.02	-41.59
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC3=CC=CC=C3C=C1C(=O)[O-])CC2	REAL300008142798	0	48	-1.0	-66.96	383.26	11.48	-55.48
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=CC=C1CC(=O)[O-])CC2	REAL300008142799	0	45	-1.0	-61.65	358.69	9.24	-52.41
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=C3C=CC=CN3C(C(=O)[O-])=N1)CC2	REAL300008142800	0	45	-1.0	-66.24	374.99	6.96	-59.28
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=C3C=CC(C(=O)[O-])=CN3C=N1)CC2	REAL300008142801	0	45	-1.0	-45.35	375.58	9.54	-35.81
CCC1=CC=CC2=C1CN(S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])CC2	REAL300008142802	0	42	-1.0	-54.54	345.24	7.65	-46.89
CCC1=CC=CC2=C1CN(S(=O)(=O)N1CCCCC1C(=O)[O-])CC2	REAL300008142803	0	47	-1.0	-50.52	349.26	8.00	-42.52
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=NNC(C(=O)[O-])=C1)CC2	REAL300008142804	0	39	-1.0	-44.73	332.42	4.56	-40.17
CCC1=CC=CC2=C1CN(S(=O)(=O)N1CCC[C@H]1C(=O)[O-])CC2	REAL300008142805	0	44	-1.0	-59.40	348.80	7.44	-51.96
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=NNC=C1C(=O)[O-])CC2	REAL300008142806	0	39	-1.0	-53.34	321.74	5.21	-48.13
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)CC2	REAL300008142807	0	39	-1.0	-52.29	349.55	8.51	-43.78
CCC1=CC=CC2=C1CN(S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])CC2	REAL300008142808	0	42	-1.0	-56.26	328.33	8.00	-48.26
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1)CC2	REAL300008142809	0	44	-1.0	-52.10	361.37	7.06	-45.04
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=CC=C1CC(=O)[O-])CC2	REAL300008142810	0	45	-1.0	-61.65	358.69	9.24	-52.41
CCOC1=CC=C(S(=O)(=O)N2CCC3=CC=CC(CC)=C3C2)C=C1C(=O)[O-]	REAL300008142811	0	49	-1.0	-61.09	398.19	9.30	-51.79
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=C3CC(C(=O)[O-])CC3=C1)CC2	REAL300008142812	0	49	-1.0	-49.09	392.71	10.19	-38.90
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CN=CC=C1C(=O)[O-])CC2	REAL300008142813	0	41	-1.0	-55.89	331.29	7.40	-48.49
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC3=CC=C(C(=O)[O-])N=C3C=C1)CC2	REAL300008142814	0	47	-1.0	-55.11	390.81	8.70	-46.41
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2)C1	REAL300008142815	0	36	-1.0	-51.64	316.08	5.86	-45.78
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(C)=O)=C2)C1	REAL300008142816	0	41	-1.0	-52.79	349.31	6.14	-46.65
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CCCC)C1	REAL300008142817	0	43	-1.0	-43.97	345.46	5.23	-38.74
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CS2)C1	REAL300008142818	0	33	-1.0	-44.76	299.60	4.73	-40.03
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)CC)C=C2)C1	REAL300008142819	0	48	-1.0	-45.88	382.41	8.17	-37.71
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)S2)C1	REAL300008142820	0	36	-1.0	-52.77	320.55	5.52	-47.25
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300008142821	0	33	-1.0	-50.43	315.71	5.34	-45.09
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CC=C2OC)C1	REAL300008142822	0	43	-1.0	-60.87	355.71	6.39	-54.48
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CC=C2C)C1	REAL300008142823	0	39	-1.0	-55.91	341.59	6.92	-48.99
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300008142824	0	40	-1.0	-47.00	347.98	6.07	-40.93
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCOCC2)C1	REAL300008142825	0	39	-1.0	-53.62	317.68	2.51	-51.11
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300008142826	0	42	-1.0	-54.89	364.43	3.11	-51.78
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300008142827	0	40	-1.0	-45.56	354.82	5.55	-40.01
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(OC)=C(OC)C=C2C)C1	REAL300008142828	0	47	-1.0	-54.03	375.91	5.51	-48.52
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2C)C1	REAL300008142829	0	39	-1.0	-42.74	331.72	6.73	-36.01
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C2CCCCC2)C1	REAL300008142830	0	47	-1.0	-43.79	359.98	6.08	-37.71
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)N(C)N=C2C)C1	REAL300008142831	0	42	-1.0	-50.68	343.28	4.75	-45.93
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300008142832	0	52	-1.0	-45.86	405.60	9.39	-36.47
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300008142833	0	42	-1.0	-56.34	353.07	4.93	-51.41
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC)C=C2)C1	REAL300008142834	0	42	-1.0	-46.08	346.62	7.02	-39.06
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300008142835	0	36	-1.0	-58.13	316.86	6.14	-51.99
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300008142836	0	36	-1.0	-51.18	330.97	6.41	-44.77
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C1	REAL300008142837	0	41	-1.0	-63.71	335.89	7.51	-56.20
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300008142838	0	42	-1.0	-45.21	365.76	7.60	-37.61
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1	REAL300008142839	0	46	-1.0	-52.28	387.05	2.15	-50.13
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C1	REAL300008142840	0	47	-1.0	-45.78	386.34	7.42	-38.36
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CC(F)=C2)C1	REAL300008142841	0	39	-1.0	-44.56	335.54	6.45	-38.11
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300008142842	0	42	-1.0	-52.65	352.35	6.22	-46.43
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(COC)C=C2)C1	REAL300008142843	0	43	-1.0	-46.72	358.80	5.32	-41.40
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC)N=C2)C1	REAL300008142844	0	42	-1.0	-52.98	357.61	3.38	-49.60
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C1	REAL300008142845	0	45	-1.0	-57.65	388.76	3.79	-53.86
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCCS(C)(=O)=O)C1	REAL300008142846	0	41	-1.0	-55.67	352.75	1.62	-54.05
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C(C)=C2C)C1	REAL300008142847	0	46	-1.0	-52.78	362.15	6.23	-46.55
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300008142848	0	39	-1.0	-45.01	348.82	6.94	-38.07
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300008142849	0	41	-1.0	-51.13	348.68	6.13	-45.00
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC=C2)C1	REAL300008142850	0	35	-1.0	-51.44	302.54	3.59	-47.85
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)N(C)N=C2)C1	REAL300008142851	0	39	-1.0	-48.55	323.77	3.84	-44.71
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1	REAL300008142852	0	46	-1.0	-60.78	381.22	1.42	-59.36
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C2CCOCC2)C1	REAL300008142853	0	45	-1.0	-43.72	351.55	3.65	-40.07
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CCC2C3)C1	REAL300008142854	0	42	-1.0	-45.10	332.94	5.21	-39.89
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)N(C3=CC=CC=N3)N=C2)C1	REAL300008142855	0	45	-1.0	-52.00	370.00	6.71	-45.29
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)N(CC)N=C2C)C1	REAL300008142856	0	45	-1.0	-48.37	364.02	5.57	-42.80
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C(C)C)N=C2)C1	REAL300008142857	0	42	-1.0	-49.70	352.49	4.83	-44.87
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(C)C)C=N2)C1	REAL300008142858	0	45	-1.0	-62.35	373.10	7.04	-55.31
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C(C)C)C=N2)C1	REAL300008142859	0	42	-1.0	-61.70	354.03	6.17	-55.53
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC(C(C)C)=N2)C1	REAL300008142860	0	42	-1.0	-57.04	348.83	4.07	-52.97
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C1	REAL300008142861	0	48	-1.0	-45.97	355.83	8.27	-37.70
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)C1	REAL300008142862	0	44	-1.0	-55.26	374.92	5.17	-50.09
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCOC2)C1	REAL300008142863	0	43	-1.0	-58.63	343.48	4.53	-54.10
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(OC)=C(OC)C=C2Cl)C1	REAL300008142864	0	44	-1.0	-52.32	374.82	5.33	-46.99
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C(Br)=C2)C1	REAL300008142865	0	39	-1.0	-46.37	348.32	6.95	-39.42
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2C)C1	REAL300008142866	0	39	-1.0	-54.88	325.75	6.34	-48.54
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300008142867	0	42	-1.0	-47.45	357.89	8.22	-39.23
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300008142868	0	40	-1.0	-49.54	354.30	5.40	-44.14
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300008142869	0	43	-1.0	-49.90	369.44	7.31	-42.59
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)N(CC(C)C)N=C2C)C1	REAL300008142870	0	51	-1.0	-55.09	401.36	6.80	-48.29
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300008142871	0	39	-1.0	-45.73	337.90	6.52	-39.21
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(COC)=CC=C2OC)C1	REAL300008142872	0	47	-1.0	-62.11	389.37	5.44	-56.67
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C(C)CCOC)C1	REAL300008142873	0	42	-1.0	-44.37	334.45	3.91	-40.46
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2OC)C1	REAL300008142874	0	40	-1.0	-55.36	339.51	5.75	-49.61
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2OCCOC)C1	REAL300008142875	0	47	-1.0	-52.26	390.82	6.04	-46.22
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300008142876	0	54	-1.0	-46.77	395.20	7.37	-39.40
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C1	REAL300008142877	0	44	-1.0	-54.97	365.11	7.31	-47.66
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300008142878	0	44	-1.0	-50.02	368.54	7.48	-42.54
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(CC)CC2CC2)C1	REAL300008142879	0	44	-1.0	-43.75	350.88	6.00	-37.75
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300008142880	0	47	-1.0	-48.74	384.85	4.28	-44.46
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CCC)C=N2)C1	REAL300008142881	0	42	-1.0	-51.94	356.29	6.52	-45.42
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCOCCOCCOC)C1	REAL300008142882	0	50	-1.0	-48.89	412.25	2.91	-45.98
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CC2)C1	REAL300008142883	0	43	-1.0	-45.48	354.81	4.90	-40.58
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC(C)COC2CCCC2)C1	REAL300008142884	0	52	-1.0	-44.71	404.33	6.98	-37.73
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC(C)COC)C1	REAL300008142885	0	42	-1.0	-44.75	337.79	3.91	-40.84
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC(C)COCC)C1	REAL300008142886	0	45	-1.0	-44.75	359.64	4.89	-39.86
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(OC)=CC(C(F)(F)F)=C2)C1	REAL300008142887	0	43	-1.0	-45.46	376.29	6.04	-39.42
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300008142888	0	44	-1.0	-47.88	365.76	3.49	-44.39
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300008142889	0	40	-1.0	-56.28	350.44	6.05	-50.23
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(OC)=C2)C1	REAL300008142890	0	42	-1.0	-52.81	364.10	6.51	-46.30
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)C1	REAL300008142891	0	42	-1.0	-42.45	354.06	7.24	-35.21
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)C1	REAL300008142892	0	42	-1.0	-56.38	359.36	7.30	-49.08
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)C1	REAL300008142893	0	42	-1.0	-45.97	363.25	7.27	-38.70
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(C)C)C1	REAL300008142894	0	45	-1.0	-45.47	352.14	7.30	-38.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300008142895	0	48	-1.0	-45.90	377.45	2.57	-43.33
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OCC)=C2)C1	REAL300008142896	0	43	-1.0	-48.40	360.18	5.98	-42.42
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CCOC)N=C2)C1	REAL300008142897	0	43	-1.0	-46.98	367.47	3.35	-43.63
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC(C)(C)C)C1	REAL300008142898	0	44	-1.0	-44.51	344.35	5.77	-38.74
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300008142899	0	43	-1.0	-51.70	368.10	6.13	-45.57
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300008142900	0	44	-1.0	-48.94	377.25	7.77	-41.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300008142901	0	41	-1.0	-51.41	350.00	6.12	-45.29
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300008142902	0	39	-1.0	-45.21	348.82	6.93	-38.28
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300008142903	0	39	-1.0	-45.97	344.15	6.88	-39.09
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300008142904	0	43	-1.0	-69.13	373.19	3.64	-65.49
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C)C2)C1	REAL300008142905	0	41	-1.0	-44.85	331.89	4.68	-40.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CC(Br)=C2)C1	REAL300008142906	0	39	-1.0	-44.20	350.43	7.00	-37.20
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Br)=C2C)C1	REAL300008142907	0	39	-1.0	-54.55	338.59	6.82	-47.73
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2COC)C1	REAL300008142908	0	43	-1.0	-44.49	349.14	5.64	-38.85
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C(OC)C=C2OC)C1	REAL300008142909	0	44	-1.0	-59.40	379.71	5.59	-53.81
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300008142910	0	39	-1.0	-53.19	351.68	4.81	-48.38
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300008142911	0	39	-1.0	-47.62	345.65	4.63	-42.99
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C1	REAL300008142912	0	47	-1.0	-55.18	385.97	7.01	-48.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300008142913	0	39	-1.0	-58.47	344.15	4.80	-53.67
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2SC)C1	REAL300008142914	0	40	-1.0	-47.91	336.78	6.43	-41.48
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(CC)=C2)C1	REAL300008142915	0	42	-1.0	-52.61	352.57	7.22	-45.39
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(CC)C=C2)C1	REAL300008142916	0	45	-1.0	-46.45	370.42	7.76	-38.69
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300008142917	0	39	-1.0	-54.75	342.16	6.31	-48.44
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)CC)=C2)C1	REAL300008142918	0	45	-1.0	-58.38	391.85	4.21	-54.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(C)C(C)=C2)C1	REAL300008142919	0	45	-1.0	-47.17	365.94	7.52	-39.65
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CC(C)C)C1	REAL300008142920	0	43	-1.0	-43.95	338.08	4.91	-39.04
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300008142921	0	40	-1.0	-55.97	360.78	6.50	-49.47
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C2CCCC2)C1	REAL300008142922	0	44	-1.0	-43.60	342.20	5.38	-38.22
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCOC(C)(C)C2)C1	REAL300008142923	0	45	-1.0	-54.57	354.72	3.99	-50.58
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(C)=NO2)C1	REAL300008142924	0	38	-1.0	-46.16	324.45	4.47	-41.69
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)C1	REAL300008142925	0	48	-1.0	-56.49	399.30	7.32	-49.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCNS(=O)(=O)CC)C1	REAL300008142926	0	43	-1.0	-51.09	367.62	0.34	-50.75
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)C1	REAL300008142927	0	42	-1.0	-46.77	358.12	6.86	-39.91
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300008142928	0	39	-1.0	-45.51	363.35	7.67	-37.84
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)SC3=CC=C(Cl)C=C32)C1	REAL300008142929	0	42	-1.0	-51.79	375.04	8.64	-43.15
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C1	REAL300008142930	0	39	-1.0	-55.10	355.77	7.42	-47.68
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300008142931	0	42	-1.0	-54.09	359.15	8.22	-45.87
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCO2)C1	REAL300008142932	0	43	-1.0	-54.19	346.62	4.52	-49.67
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300008142933	0	42	-1.0	-46.75	364.72	7.37	-39.38
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300008142934	0	47	-1.0	-44.04	388.68	7.22	-36.82
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)SC3=C(C)C=CC=C32)C1	REAL300008142935	0	45	-1.0	-49.85	375.67	8.68	-41.17
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C(N(C)C)=C2)C1	REAL300008142936	0	47	-1.0	-47.27	383.42	6.40	-40.87
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300008142937	0	41	-1.0	-51.78	343.12	2.69	-49.09
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300008142938	0	49	-1.0	-45.28	388.51	6.06	-39.22
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C(OC)C=C2C)C1	REAL300008142939	0	43	-1.0	-49.75	361.05	6.07	-43.68
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(S(C)(=O)=O)=C2)C1	REAL300008142940	0	45	-1.0	-52.66	388.23	3.83	-48.83
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(SC)C(Cl)=C2)C1	REAL300008142941	0	40	-1.0	-49.35	364.04	7.23	-42.12
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(CC)N(C)N=C2CC)C1	REAL300008142942	0	48	-1.0	-56.04	384.46	6.35	-49.69
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300008142943	0	44	-1.0	-48.12	378.87	4.29	-43.83
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3ON=C(CC)C3=C2)C1	REAL300008142944	0	43	-1.0	-49.93	368.96	3.43	-46.50
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C1	REAL300008142945	0	41	-1.0	-48.34	352.08	4.86	-43.48
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(CC)C=C(CC)C=C2CC)C1	REAL300008142946	0	54	-1.0	-44.42	398.72	9.90	-34.52
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300008142947	0	43	-1.0	-58.59	350.81	5.66	-52.93
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300008142948	0	42	-1.0	-52.78	377.18	3.85	-48.93
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300008142949	0	45	-1.0	-68.03	375.49	9.63	-58.40
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C(F)=C2C)C1	REAL300008142950	0	43	-1.0	-51.42	351.58	5.63	-45.79
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C)CCCCC2)C1	REAL300008142951	0	48	-1.0	-46.01	354.90	7.13	-38.88
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300008142952	0	45	-1.0	-48.35	364.79	7.07	-41.28
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300008142954	0	44	-1.0	-48.28	373.17	6.88	-41.40
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=NN2C)C1	REAL300008142955	0	35	-1.0	-46.68	300.11	2.09	-44.59
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(COC)=C2)C1	REAL300008142956	0	43	-1.0	-44.31	379.52	5.95	-38.36
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(C)C=C2F)C1	REAL300008142957	0	42	-1.0	-50.13	354.26	7.02	-43.11
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300008142959	0	36	-1.0	-50.51	339.32	5.91	-44.60
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300008142960	0	49	-1.0	-46.83	392.52	8.89	-37.94
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)C1	REAL300008142961	0	47	-1.0	-50.04	385.65	6.33	-43.71
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCC2)C1	REAL300008142962	0	42	-1.0	-44.57	337.30	6.15	-38.42
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCCC(C)(C)C)C1	REAL300008142963	0	47	-1.0	-44.44	365.84	6.54	-37.90
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300008142964	0	45	-1.0	-62.37	370.06	2.92	-59.45
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300008142965	0	39	-1.0	-50.17	345.86	6.26	-43.91
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=C(C)N=CS2)C1	REAL300008142966	0	41	-1.0	-55.37	355.90	4.96	-50.41
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2(COC)CC2)C1	REAL300008142967	0	40	-1.0	-60.56	332.05	4.92	-55.64
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300008142968	0	46	-1.0	-46.38	353.93	7.01	-39.37
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CC(F)(F)C2)C1	REAL300008142969	0	39	-1.0	-57.14	331.94	5.68	-51.46
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(OC)C=C3CC2)C1	REAL300008142970	0	48	-1.0	-47.00	387.65	7.29	-39.71
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300008142971	0	49	-1.0	-58.83	365.31	7.79	-51.04
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCOC2)C1	REAL300008142972	0	43	-1.0	-46.62	345.17	4.21	-42.41
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1	REAL300008142973	0	47	-1.0	-60.61	377.01	2.71	-57.90
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300008142974	0	45	-1.0	-53.07	359.73	6.88	-46.19
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300008142975	0	43	-1.0	-50.81	359.55	7.90	-42.91
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC)C([N+](=O)[O-])=C2)C1	REAL300008142976	0	44	-1.0	-47.55	371.37	7.59	-39.96
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300008142977	0	36	-1.0	-44.03	320.47	6.10	-37.93
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300008142978	0	36	-1.0	-43.99	325.03	6.21	-37.78
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300008142979	0	38	-1.0	-44.69	331.96	6.25	-38.44
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300008142980	0	42	-1.0	-56.73	354.53	8.06	-48.67
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300008142981	0	38	-1.0	-53.64	337.90	6.46	-47.18
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C1	REAL300008142982	0	41	-1.0	-58.74	348.48	6.96	-51.78
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C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300008142994	0	36	-1.0	-51.30	326.40	6.31	-44.99
C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)=O)C=C2)C1	REAL300008142995	0	41	-1.0	-46.71	346.49	6.07	-40.64
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C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C(C)=C2)C1	REAL300008142997	0	42	-1.0	-48.56	347.24	6.96	-41.60
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C=CCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C1	REAL300008143000	0	48	-1.0	-46.13	379.94	7.91	-38.22
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008143625	0	41	-1.0	-46.34	345.39	4.93	-41.41
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008143627	0	39	-1.0	-47.71	323.97	4.76	-42.95
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008143628	0	37	-1.0	-40.75	325.25	5.85	-34.90
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300008143629	0	37	-1.0	-44.20	320.95	5.75	-38.45
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1C	REAL300008143632	0	37	-1.0	-52.87	312.87	6.11	-46.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1COC	REAL300008143633	0	41	-1.0	-54.59	326.54	4.83	-49.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300008143634	0	38	-1.0	-40.83	332.39	4.41	-36.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300008143635	0	42	-1.0	-44.40	348.59	4.39	-40.01
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008143636	0	37	-1.0	-42.25	325.27	3.38	-38.87
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008143637	0	37	-1.0	-44.66	319.69	3.21	-41.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008143638	0	45	-1.0	-44.54	358.42	5.62	-38.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008143639	0	37	-1.0	-56.12	320.77	3.83	-52.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC	REAL300008143640	0	45	-1.0	-53.43	355.23	3.23	-50.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1	REAL300008143641	0	46	-1.0	-50.95	384.70	3.62	-47.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1SC	REAL300008143642	0	38	-1.0	-59.72	316.90	5.91	-53.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008143643	0	42	-1.0	-45.80	359.31	1.15	-44.65
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1	REAL300008143644	0	48	-1.0	-47.17	401.63	2.25	-44.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300008143645	0	45	-1.0	-58.98	365.19	4.07	-54.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300008143646	0	45	-1.0	-45.15	380.78	2.03	-43.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(CC)C=C1	REAL300008143647	0	43	-1.0	-42.84	346.87	6.63	-36.21
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CS1	REAL300008143648	0	37	-1.0	-41.07	315.70	5.06	-36.01
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008143649	0	49	-1.0	-42.01	396.22	4.89	-37.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008143650	0	46	-1.0	-41.57	376.62	4.23	-37.34
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300008143651	0	43	-1.0	-43.09	364.66	2.86	-40.23
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300008143652	0	44	-1.0	-55.14	363.79	2.10	-53.04
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C)C(C)=C1	REAL300008143653	0	43	-1.0	-43.98	343.23	6.40	-37.58
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1	REAL300008143654	0	41	-1.0	-40.83	354.24	5.34	-35.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300008143655	0	48	-1.0	-45.04	390.64	7.50	-37.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008143656	0	38	-1.0	-42.88	329.60	5.31	-37.57
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300008143657	0	41	-1.0	-44.67	350.15	5.09	-39.58
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCOC(C)(C)C1	REAL300008143658	0	43	-1.0	-41.10	325.91	3.14	-37.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008143659	0	48	-1.0	-45.43	393.33	6.31	-39.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300008143660	0	41	-1.0	-43.22	342.61	5.71	-37.51
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300008143661	0	46	-1.0	-44.58	373.38	5.99	-38.59
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)CC	REAL300008143662	0	41	-1.0	-47.14	344.18	-0.78	-47.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300008143663	0	40	-1.0	-47.29	345.52	6.13	-41.16
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008143664	0	37	-1.0	-40.96	338.79	6.45	-34.51
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300008143665	0	40	-1.0	-40.20	348.50	7.27	-32.93
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008143666	0	37	-1.0	-54.12	334.64	6.64	-47.48
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008143667	0	40	-1.0	-59.53	338.17	7.61	-51.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008143668	0	40	-1.0	-40.36	343.49	6.25	-34.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008143669	0	45	-1.0	-43.31	361.37	5.81	-37.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008143670	0	48	-1.0	-42.35	389.91	8.15	-34.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008143671	0	47	-1.0	-47.99	389.01	5.98	-42.01
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008143672	0	45	-1.0	-45.63	380.33	1.54	-44.09
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300008143673	0	43	-1.0	-43.48	352.02	7.38	-36.10
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300008143674	0	45	-1.0	-42.68	357.71	5.12	-37.56
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300008143675	0	40	-1.0	-42.13	341.66	6.42	-35.71
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008143676	0	39	-1.0	-60.08	318.11	1.66	-58.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCOCC1CCCC1	REAL300008143677	0	47	-1.0	-43.13	365.80	4.94	-38.19
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300008143678	0	41	-1.0	-56.72	340.20	5.44	-51.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008143679	0	43	-1.0	-49.65	365.50	2.71	-46.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300008143680	0	38	-1.0	-40.62	337.63	5.91	-34.71
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(CC)N(C)N=C1CC	REAL300008143681	0	46	-1.0	-43.11	354.53	4.71	-38.40
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008143682	0	42	-1.0	-46.85	352.21	2.90	-43.95
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1	REAL300008143683	0	41	-1.0	-44.12	342.20	2.01	-42.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008143684	0	45	-1.0	-46.45	377.54	4.13	-42.32
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008143685	0	39	-1.0	-45.69	325.37	3.47	-42.22
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008143687	0	41	-1.0	-56.61	326.94	5.53	-51.08
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008143700	0	45	-1.0	-45.83	362.93	5.21	-40.62
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008143702	0	37	-1.0	-43.46	319.68	5.01	-38.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=C(C)N=CS1	REAL300008143703	0	39	-1.0	-42.37	329.45	3.71	-38.66
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300008143704	0	44	-1.0	-41.12	329.30	5.83	-35.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300008143705	0	46	-1.0	-43.91	364.28	6.15	-37.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)CC2	REAL300008143706	0	47	-1.0	-41.07	337.86	6.46	-34.61
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008143707	0	45	-1.0	-54.78	353.59	1.58	-53.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CCCCC1(F)F	REAL300008143708	0	43	-1.0	-44.79	329.20	5.66	-39.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008143709	0	41	-1.0	-42.73	332.81	6.62	-36.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1	REAL300008143710	0	42	-1.0	-40.54	345.07	6.27	-34.27
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008143711	0	34	-1.0	-39.05	297.77	4.92	-34.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008143712	0	34	-1.0	-39.11	302.33	5.03	-34.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008143713	0	36	-1.0	-39.07	309.26	5.07	-34.00
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008143714	0	40	-1.0	-44.48	328.40	6.72	-37.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008143715	0	36	-1.0	-43.13	309.19	5.04	-38.09
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300008143716	0	39	-1.0	-60.02	323.65	6.21	-53.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1	REAL300008143717	0	38	-1.0	-42.65	310.52	3.69	-38.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008143718	0	36	-1.0	-50.18	301.76	6.08	-44.10
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1OCC	REAL300008143719	0	41	-1.0	-42.02	346.27	6.11	-35.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C=C1	REAL300008143720	0	41	-1.0	-42.72	332.37	4.61	-38.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300008143721	0	46	-1.0	-42.05	341.47	7.00	-35.05
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300008143722	0	43	-1.0	-41.63	326.93	6.50	-35.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300008143723	0	49	-1.0	-57.52	372.04	7.84	-49.68
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008143724	0	37	-1.0	-40.90	321.51	5.47	-35.43
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008143725	0	37	-1.0	-57.53	303.55	6.24	-51.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008143726	0	34	-1.0	-40.56	299.21	4.96	-35.60
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300008143727	0	39	-1.0	-44.74	321.49	4.78	-39.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300008143728	0	40	-1.0	-43.47	336.54	5.12	-38.35
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300008143729	0	46	-1.0	-42.25	358.69	6.77	-35.48
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300008143730	0	43	-1.0	-42.05	342.72	6.38	-35.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300008143731	0	45	-1.0	-47.88	377.97	2.45	-45.43
CCCC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1	REAL300008143732	0	43	-1.0	-41.49	346.87	6.67	-34.82
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC	REAL300008143733	0	38	-1.0	-43.95	303.12	4.58	-39.37
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300008143734	0	38	-1.0	-40.93	332.34	4.41	-36.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300008143735	0	37	-1.0	-39.87	320.52	5.57	-34.30
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300008143736	0	48	-1.0	-44.15	391.66	8.00	-36.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008143737	0	38	-1.0	-38.85	327.01	4.18	-34.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300008143738	0	49	-1.0	-43.03	354.64	7.44	-35.59
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008143739	0	43	-1.0	-46.02	345.30	4.39	-41.63
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300008143740	0	50	-1.0	-44.79	379.52	6.86	-37.93
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300008143741	0	39	-1.0	-40.86	324.62	5.61	-35.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300008143742	0	38	-1.0	-42.37	324.38	5.20	-37.17
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300008143743	0	52	-1.0	-42.20	381.74	8.15	-34.05
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008143744	0	37	-1.0	-38.71	319.77	5.40	-33.31
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008143745	0	44	-1.0	-43.35	345.53	6.94	-36.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300008143746	0	42	-1.0	-46.32	332.57	3.87	-42.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300008143747	0	42	-1.0	-44.40	341.20	3.65	-40.75
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008143748	0	41	-1.0	-43.38	326.48	6.29	-37.09
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008143749	0	42	-1.0	-43.26	334.83	6.86	-36.40
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008143750	0	39	-1.0	-43.29	316.91	4.21	-39.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300008143751	0	49	-1.0	-41.47	384.50	7.91	-33.56
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1	REAL300008143752	0	48	-1.0	-44.70	384.91	5.49	-39.21
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008143753	0	39	-1.0	-47.93	335.28	-0.64	-48.57
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1	REAL300008143754	0	42	-1.0	-44.51	341.91	6.11	-38.40
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300008143755	0	42	-1.0	-58.53	341.94	6.67	-51.86
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300008143756	0	42	-1.0	-47.92	335.98	6.24	-41.68
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300008143757	0	40	-1.0	-48.81	331.55	5.37	-43.44
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300008143758	0	38	-1.0	-41.29	320.07	5.06	-36.23
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008143759	0	39	-1.0	-42.09	336.73	-0.60	-42.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008143760	0	46	-1.0	-46.93	390.28	2.26	-44.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300008143761	0	42	-1.0	-48.09	349.66	6.37	-41.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008143762	0	43	-1.0	-54.68	323.42	5.74	-48.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300008143763	0	42	-1.0	-56.14	336.75	6.06	-50.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300008143764	0	42	-1.0	-51.41	340.86	7.30	-44.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300008143765	0	45	-1.0	-42.32	378.09	2.44	-39.88
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008143766	0	46	-1.0	-48.24	368.73	3.72	-44.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008143767	0	40	-1.0	-43.78	343.19	1.96	-41.82
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008143768	0	44	-1.0	-48.28	353.88	8.37	-39.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CC(C)CC(C)C1	REAL300008143769	0	45	-1.0	-55.79	337.33	5.10	-50.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008143770	0	40	-1.0	-58.82	321.50	7.11	-51.71
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008143771	0	44	-1.0	-44.15	356.66	7.86	-36.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C	REAL300008143772	0	37	-1.0	-56.54	302.21	5.58	-50.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300008143773	0	48	-1.0	-56.32	374.90	6.96	-49.36
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008143774	0	35	-1.0	-44.27	299.04	2.93	-41.34
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300008143775	0	38	-1.0	-42.44	319.81	5.10	-37.34
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC)=C1	REAL300008143776	0	38	-1.0	-44.54	311.97	3.75	-40.79
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1	REAL300008143777	0	49	-1.0	-42.50	371.47	7.19	-35.31
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300008143778	0	37	-1.0	-41.42	317.94	5.55	-35.87
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300008143779	0	44	-1.0	-43.13	349.70	5.22	-37.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008143780	0	37	-1.0	-40.81	320.69	5.74	-35.07
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008143781	0	35	-1.0	-44.00	291.20	3.14	-40.86
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008143782	0	39	-1.0	-44.65	341.80	7.08	-37.57
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008143783	0	39	-1.0	-48.06	314.60	5.76	-42.30
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008143784	0	45	-1.0	-44.50	386.71	7.79	-36.71
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300008143785	0	40	-1.0	-40.62	331.55	5.21	-35.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300008143786	0	38	-1.0	-41.75	318.14	3.81	-37.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300008143787	0	37	-1.0	-42.49	309.20	5.16	-37.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008143788	0	45	-1.0	-41.27	386.96	7.85	-33.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300008143789	0	49	-1.0	-43.55	399.73	6.62	-36.93
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300008143790	0	61	-1.0	-41.39	438.64	10.33	-31.06
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300008143791	0	50	-1.0	-56.80	389.22	7.96	-48.84
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008143792	0	37	-1.0	-38.44	335.89	6.16	-32.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300008143793	0	44	-1.0	-57.11	349.37	6.36	-50.75
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300008143794	0	39	-1.0	-50.92	324.06	6.17	-44.75
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N=C(C)S1	REAL300008143819	0	36	-1.0	-42.64	307.47	3.01	-39.63
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008143822	0	44	-1.0	-43.88	356.67	7.86	-36.02
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300008143826	0	42	-1.0	-48.25	336.42	6.27	-41.98
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300008143827	0	42	-1.0	-46.23	346.93	2.08	-44.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300008143828	0	44	-1.0	-41.61	335.12	5.30	-36.31
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008143829	0	45	-1.0	-45.83	365.18	8.47	-37.36
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300008143830	0	44	-1.0	-56.49	344.21	5.64	-50.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300008143831	0	42	-1.0	-44.47	324.08	5.43	-39.04
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008143832	0	39	-1.0	-58.33	316.96	5.31	-53.02
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300008143834	0	39	-1.0	-56.53	330.75	5.13	-51.40
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008143836	0	48	-1.0	-44.07	392.28	7.67	-36.40
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1	REAL300008143837	0	42	-1.0	-48.92	345.55	5.72	-43.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008143838	0	44	-1.0	-43.96	368.96	5.96	-38.00
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008143839	0	37	-1.0	-54.61	310.33	3.60	-51.01
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300008143840	0	56	-1.0	-55.98	413.33	7.95	-48.03
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300008143841	0	42	-1.0	-46.82	354.70	1.09	-45.73
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008143842	0	37	-1.0	-41.08	310.37	5.30	-35.78
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21	REAL300008143843	0	47	-1.0	-57.09	371.67	7.39	-49.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1OCC	REAL300008143844	0	44	-1.0	-44.66	346.36	6.17	-38.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008143845	0	39	-1.0	-45.47	331.19	4.62	-40.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008143846	0	41	-1.0	-46.39	343.54	5.51	-40.88
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCOCC)C=C1	REAL300008143847	0	48	-1.0	-44.40	387.85	4.85	-39.55
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1	REAL300008143848	0	50	-1.0	-42.29	396.87	6.98	-35.31
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008143849	0	44	-1.0	-57.04	335.46	7.37	-49.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008143850	0	40	-1.0	-44.94	326.59	6.18	-38.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008143851	0	38	-1.0	-38.73	337.41	5.85	-32.88
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300008143852	0	39	-1.0	-43.11	316.93	3.66	-39.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008143853	0	42	-1.0	-51.72	344.26	5.73	-45.99
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008143854	0	40	-1.0	-65.03	314.24	0.88	-64.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008143855	0	39	-1.0	-44.42	329.30	4.57	-39.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C=C1C	REAL300008143856	0	44	-1.0	-55.04	347.16	5.75	-49.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300008143857	0	42	-1.0	-47.30	357.87	0.58	-46.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008143858	0	38	-1.0	-44.88	312.88	4.80	-40.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC)C=C1	REAL300008143859	0	38	-1.0	-42.28	321.22	5.41	-36.87
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008143860	0	40	-1.0	-40.70	343.08	6.18	-34.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300008143861	0	45	-1.0	-57.41	345.76	6.88	-50.53
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC)C(C)=N1	REAL300008143862	0	40	-1.0	-50.78	323.03	5.33	-45.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008143863	0	40	-1.0	-58.63	324.54	4.53	-54.10
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008143864	0	39	-1.0	-55.77	316.63	5.23	-50.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008143865	0	46	-1.0	-45.12	374.52	6.42	-38.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300008143866	0	40	-1.0	-41.17	335.45	5.90	-35.27
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008143867	0	40	-1.0	-54.39	355.77	6.37	-48.02
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008143868	0	43	-1.0	-42.82	347.63	6.07	-36.75
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300008143869	0	42	-1.0	-46.55	348.77	4.13	-42.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300008143870	0	41	-1.0	-44.73	348.86	5.12	-39.61
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(COC)=C1	REAL300008143871	0	41	-1.0	-44.47	337.55	4.17	-40.30
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300008143872	0	45	-1.0	-52.19	359.03	5.93	-46.26
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300008143873	0	37	-1.0	-44.51	317.76	5.65	-38.86
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300008143874	0	46	-1.0	-55.54	377.62	2.89	-52.65
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008143875	0	41	-1.0	-39.44	350.27	4.97	-34.47
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008143876	0	42	-1.0	-51.25	345.15	5.18	-46.07
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008143877	0	37	-1.0	-45.06	331.20	6.09	-38.97
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300008143878	0	42	-1.0	-43.37	338.02	4.97	-38.40
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(CC)C=CC=C1CC	REAL300008143879	0	46	-1.0	-52.81	331.50	7.82	-44.99
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300008143880	0	46	-1.0	-57.91	369.27	3.62	-54.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008143881	0	45	-1.0	-43.40	386.96	7.86	-35.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008143882	0	40	-1.0	-55.55	349.38	6.30	-49.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008143883	0	40	-1.0	-54.07	366.09	6.82	-47.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300008143884	0	43	-1.0	-48.23	357.59	3.47	-44.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008143885	0	37	-1.0	-54.43	317.22	3.44	-50.99
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008143886	0	37	-1.0	-46.89	313.26	4.94	-41.95
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008143887	0	37	-1.0	-44.93	308.85	3.12	-41.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)N=C1	REAL300008143888	0	37	-1.0	-41.76	308.15	0.99	-40.77
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCN12	REAL300008143889	0	38	-1.0	-47.52	309.97	3.88	-43.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008143890	0	42	-1.0	-43.41	336.18	5.08	-38.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300008143891	0	41	-1.0	-41.68	317.39	6.19	-35.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300008143892	0	44	-1.0	-47.86	363.73	6.10	-41.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300008143893	0	42	-1.0	-44.51	356.27	5.56	-38.95
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300008143894	0	39	-1.0	-40.38	327.78	5.69	-34.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300008143895	0	45	-1.0	-50.82	369.57	5.06	-45.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008143896	0	36	-1.0	-45.16	313.05	3.80	-41.36
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300008143897	0	42	-1.0	-43.98	333.96	4.86	-39.12
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CS1	REAL300008143899	0	35	-1.0	-48.73	297.85	2.45	-46.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300008143900	0	42	-1.0	-44.18	333.99	4.85	-39.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008143901	0	39	-1.0	-45.70	311.13	4.55	-41.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008143902	0	39	-1.0	-46.02	327.44	4.53	-41.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008143903	0	39	-1.0	-46.64	318.66	4.31	-42.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008143904	0	40	-1.0	-40.24	342.59	6.49	-33.75
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300008143905	0	46	-1.0	-46.23	355.49	4.94	-41.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008143906	0	36	-1.0	-39.31	315.68	3.53	-35.78
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300008143907	0	42	-1.0	-47.59	334.13	4.93	-42.66
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300008143908	0	42	-1.0	-51.45	339.97	6.72	-44.73
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300008143909	0	42	-1.0	-49.07	334.57	7.17	-41.90
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300008143910	0	42	-1.0	-59.23	340.54	6.67	-52.56
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300008143911	0	44	-1.0	-42.94	355.09	5.27	-37.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(OC)=C1	REAL300008143912	0	37	-1.0	-43.37	305.63	1.79	-41.58
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300008143913	0	43	-1.0	-42.06	354.63	6.12	-35.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008143914	0	41	-1.0	-42.27	330.24	6.48	-35.79
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300008143915	0	42	-1.0	-45.80	339.94	2.98	-42.82
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1CCCCC1	REAL300008143916	0	46	-1.0	-40.41	347.10	6.16	-34.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(C)C=C1	REAL300008143917	0	43	-1.0	-42.22	346.99	6.65	-35.57
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300008143918	0	40	-1.0	-56.22	321.82	4.18	-52.04
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008143919	0	37	-1.0	-46.29	303.37	4.76	-41.53
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300008143920	0	38	-1.0	-40.77	328.00	4.30	-36.47
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300008143921	0	40	-1.0	-51.58	329.23	5.74	-45.84
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300008143922	0	42	-1.0	-49.92	326.81	5.74	-44.18
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300008143923	0	39	-1.0	-46.41	324.62	2.05	-44.36
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC)C(CC)=C1	REAL300008143924	0	46	-1.0	-42.88	358.08	6.96	-35.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300008143925	0	42	-1.0	-38.74	336.15	6.53	-32.21
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300008143926	0	44	-1.0	-44.08	346.31	6.12	-37.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C)S1	REAL300008143927	0	37	-1.0	-41.80	315.25	4.89	-36.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300008143928	0	35	-1.0	-51.55	302.35	2.08	-49.47
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(CC)S1	REAL300008143929	0	36	-1.0	-42.20	311.97	3.11	-39.09
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300008143930	0	41	-1.0	-44.41	329.72	4.12	-40.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)S1	REAL300008143931	0	37	-1.0	-43.13	303.04	4.95	-38.18
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008143932	0	40	-1.0	-63.57	330.18	6.74	-56.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008143933	0	37	-1.0	-57.91	307.60	3.47	-54.44
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300008143934	0	40	-1.0	-40.69	329.56	5.79	-34.90
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008143935	0	41	-1.0	-45.11	338.79	4.20	-40.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008143936	0	47	-1.0	-41.09	381.11	6.03	-35.06
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300008143937	0	38	-1.0	-61.39	318.54	4.80	-56.59
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008143938	0	36	-1.0	-45.54	305.61	4.27	-41.27
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CSC(C)=N1	REAL300008143939	0	36	-1.0	-44.95	310.67	2.87	-42.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008143940	0	37	-1.0	-39.64	321.00	5.70	-33.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300008143941	0	37	-1.0	-39.86	316.49	5.49	-34.37
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008143942	0	40	-1.0	-45.79	330.91	5.44	-40.35
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300008143943	0	43	-1.0	-43.88	367.43	5.88	-38.00
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008143944	0	42	-1.0	-60.84	333.63	6.10	-54.74
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008143945	0	41	-1.0	-45.91	347.98	2.32	-43.59
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008143946	0	43	-1.0	-46.79	335.99	5.03	-41.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008143947	0	37	-1.0	-41.37	323.82	5.76	-35.61
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1	REAL300008143948	0	59	-1.0	-42.22	461.37	9.32	-32.90
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1	REAL300008143949	0	47	-1.0	-43.47	371.68	6.09	-37.38
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC(OC)C1CCCC1	REAL300008143950	0	47	-1.0	-41.52	355.12	4.91	-36.61
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC(OC)C1CCCCC1	REAL300008143951	0	50	-1.0	-40.62	370.62	5.53	-35.09
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008143952	0	48	-1.0	-43.26	399.95	7.81	-35.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC(OCC)C1CC1	REAL300008143953	0	44	-1.0	-41.31	345.31	4.88	-36.43
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1C(C)C	REAL300008143954	0	53	-1.0	-43.05	412.47	7.43	-35.62
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1	REAL300008143955	0	47	-1.0	-51.54	376.25	7.42	-44.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008143956	0	37	-1.0	-43.76	322.52	3.95	-39.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300008143957	0	42	-1.0	-52.47	344.28	7.08	-45.39
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300008143958	0	41	-1.0	-43.48	327.47	4.37	-39.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008143959	0	47	-1.0	-45.19	393.50	6.73	-38.46
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300008143960	0	37	-1.0	-40.61	325.30	3.27	-37.34
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008143961	0	45	-1.0	-43.18	381.70	8.48	-34.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008143962	0	44	-1.0	-59.63	346.77	8.13	-51.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C	REAL300008143963	0	47	-1.0	-56.55	365.87	6.39	-50.16
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008143964	0	40	-1.0	-38.30	352.25	6.28	-32.02
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008143965	1	36	-1.0	-46.33	300.11	2.83	-43.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300008143966	0	43	-1.0	-45.18	331.12	7.45	-37.73
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300008143967	0	43	-1.0	-41.98	352.00	2.99	-38.99
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1OC	REAL300008143968	0	38	-1.0	-42.75	315.59	4.55	-38.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1	REAL300008143969	0	50	-1.0	-43.31	390.97	6.63	-36.68
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300008143970	0	46	-1.0	-42.78	359.18	6.63	-36.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008143971	0	53	-1.0	-42.34	405.83	9.00	-33.34
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2CCCCC2=NN1C	REAL300008143972	0	44	-1.0	-45.30	341.15	4.76	-40.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300008143973	0	46	-1.0	-46.49	353.68	4.77	-41.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008143974	0	44	-1.0	-45.24	349.49	4.70	-40.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300008143975	0	37	-1.0	-47.62	309.80	3.72	-43.90
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300008143976	0	41	-1.0	-45.08	338.54	4.67	-40.41
C=CCCC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1	REAL300008143977	0	44	-1.0	-41.53	358.24	7.18	-34.35
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1CC	REAL300008143978	0	40	-1.0	-54.53	324.60	3.52	-51.01
CCCCOC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1C(C)C	REAL300008143979	0	56	-1.0	-43.19	435.43	8.28	-34.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008143980	0	38	-1.0	-40.94	333.12	6.26	-34.68
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1C(C)(C)C	REAL300008143981	0	56	-1.0	-42.98	426.48	8.16	-34.82
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1CC	REAL300008143982	0	50	-1.0	-43.07	395.56	6.89	-36.18
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300008143983	0	40	-1.0	-38.73	322.48	6.53	-32.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300008143984	0	40	-1.0	-39.51	341.44	6.37	-33.14
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008143985	0	38	-1.0	-43.36	330.60	6.15	-37.21
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H](CCC)CC(=O)[O-]	REAL300008143986	0	43	-1.0	-43.66	333.94	6.94	-36.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1OC	REAL300008143987	0	37	-1.0	-44.36	300.84	1.84	-42.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300008143988	0	50	-1.0	-44.71	394.65	7.07	-37.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008143989	0	39	-1.0	-58.96	316.75	5.27	-53.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC=C1C	REAL300008143990	0	37	-1.0	-39.60	300.45	4.93	-34.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008143991	0	41	-1.0	-44.54	332.70	4.04	-40.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300008143992	0	41	-1.0	-43.69	318.69	4.27	-39.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008143993	0	44	-1.0	-43.31	349.90	5.02	-38.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300008143994	0	45	-1.0	-59.59	356.19	2.78	-56.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008143995	0	40	-1.0	-46.09	349.86	5.37	-40.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300008143996	0	41	-1.0	-50.34	317.09	4.18	-46.16
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1C(C)C	REAL300008143997	0	59	-1.0	-43.13	456.93	9.06	-34.07
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300008143998	0	50	-1.0	-56.90	378.92	6.65	-50.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300008143999	0	44	-1.0	-59.17	354.69	6.32	-52.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300008144000	0	42	-1.0	-45.84	332.13	5.31	-40.53
C=CCC(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008144189	0	33	-1.0	-44.10	304.33	3.43	-40.67
C=CCC(NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008144190	0	34	-1.0	-41.21	332.10	5.35	-35.86
C=CCC(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300008144191	0	40	-1.0	-60.68	358.54	3.70	-56.98
C=CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300008144192	0	40	-1.0	-56.31	360.62	0.48	-55.83
C=CCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008144193	0	47	-1.0	-52.43	355.80	5.16	-47.27
C=CCC(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300008144194	0	37	-1.0	-52.91	331.12	4.84	-48.07
C=CCC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008144195	0	37	-1.0	-67.02	333.57	5.40	-61.62
C=CCC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008144196	0	40	-1.0	-46.10	346.77	2.12	-43.98
C=CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300008144197	0	43	-1.0	-44.54	388.69	4.70	-39.84
C=CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300008144198	0	43	-1.0	-59.24	382.19	4.77	-54.47
C=CCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300008144199	0	45	-1.0	-39.12	365.67	4.86	-34.26
C=CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300008144200	0	44	-1.0	-43.80	390.37	4.98	-38.82
C=CCC(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008144201	0	36	-1.0	-42.69	337.84	3.88	-38.81
C=CCC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008144202	0	37	-1.0	-43.54	327.66	1.33	-42.21
C=CCC(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300008144203	0	33	-1.0	-41.95	318.14	3.46	-38.49
C=CCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008144204	0	33	-1.0	-42.67	311.09	3.73	-38.94
C=CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300008144205	0	35	-1.0	-49.26	324.04	4.27	-44.99
C=CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300008144206	0	35	-1.0	-50.58	319.55	5.14	-45.44
C=CCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300008144207	0	35	-1.0	-55.31	319.91	5.36	-49.95
C=CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008144208	0	35	-1.0	-49.38	322.95	5.03	-44.35
C=CCC(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300008144209	0	36	-1.0	-46.04	329.37	1.20	-44.84
C=CCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008144210	0	36	-1.0	-55.56	333.15	4.05	-51.51
C=CCC(NS(=O)(=O)C1=C(C)N(CCCCCCCC)N=C1C)C(=O)[O-]	REAL300008144211	0	56	-1.0	-54.00	454.10	8.01	-45.99
C=CCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300008144212	0	43	-1.0	-54.41	374.70	1.27	-53.14
C=CCC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008144213	0	37	-1.0	-57.59	342.12	5.68	-51.91
C=CCC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008144214	0	34	-1.0	-49.72	310.81	3.94	-45.78
C=CCC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008144215	0	32	-1.0	-41.23	309.91	4.83	-36.40
C=CCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008144216	0	32	-1.0	-55.24	309.19	4.78	-50.46
C=CCC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008144217	0	36	-1.0	-64.67	333.19	1.38	-63.29
C=CCC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300008144218	0	32	-1.0	-41.58	310.07	4.82	-36.76
C=CCC(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300008144219	0	32	-1.0	-51.15	298.85	4.84	-46.31
C=CCC(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300008144220	0	33	-1.0	-49.48	318.43	3.49	-45.99
C=CCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300008144221	0	37	-1.0	-45.60	343.31	3.27	-42.33
C=CCC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008144222	0	32	-1.0	-46.51	311.31	2.61	-43.90
C=CCC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008144223	0	32	-1.0	-46.05	305.28	2.44	-43.61
C=CCC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008144224	0	40	-1.0	-52.49	346.03	4.78	-47.71
C=CCC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008144225	0	32	-1.0	-46.73	309.78	2.66	-44.07
C=CCC(NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300008144226	0	32	-1.0	-53.80	314.10	5.14	-48.66
C=CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300008144227	0	41	-1.0	-57.09	372.48	2.74	-54.35
C=CCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C(=O)[O-]	REAL300008144228	0	46	-1.0	-49.95	406.36	3.29	-46.66
C=CCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300008144229	0	33	-1.0	-44.63	302.14	4.59	-40.04
C=CCC(NS(=O)(=O)C1=CC=C(CNS(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300008144230	0	46	-1.0	-64.33	411.69	2.01	-62.32
C=CCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008144231	0	37	-1.0	-55.30	347.46	0.30	-55.00
C=CCC(NS(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1)C(=O)[O-]	REAL300008144232	0	43	-1.0	-48.16	402.66	1.19	-46.97
C=CCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC)C(=O)[O-]	REAL300008144233	0	44	-1.0	-62.54	391.40	1.05	-61.49
C=CCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300008144234	0	43	-1.0	-56.53	390.43	1.99	-54.54
C=CCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008144235	0	40	-1.0	-73.63	345.63	2.83	-70.80
C=CCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C(F)=C1)C(=O)[O-]	REAL300008144236	0	43	-1.0	-54.04	390.43	1.98	-52.06
C=CCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300008144237	0	44	-1.0	-46.21	366.99	4.20	-42.01
C=CCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300008144238	0	40	-1.0	-54.57	369.17	1.17	-53.40
C=CCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008144239	0	44	-1.0	-56.64	382.27	3.96	-52.68
C=CCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008144240	0	41	-1.0	-55.95	355.87	3.64	-52.31
C=CCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300008144241	0	38	-1.0	-53.05	351.78	1.99	-51.06
C=CCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300008144242	0	39	-1.0	-47.89	355.61	0.93	-46.96
C=CCC(NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300008144243	0	36	-1.0	-50.03	340.27	4.42	-45.61
C=CCC(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008144244	0	43	-1.0	-56.73	376.92	6.57	-50.16
C=CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008144245	0	33	-1.0	-42.53	321.41	4.18	-38.35
C=CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008144246	0	35	-1.0	-52.34	349.24	1.63	-50.71
C=CCC(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300008144247	0	36	-1.0	-44.52	334.81	4.09	-40.43
C=CCC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008144248	0	43	-1.0	-45.38	380.36	5.49	-39.89
C=CCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300008144249	0	36	-1.0	-57.18	336.27	4.57	-52.61
C=CCC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300008144250	0	41	-1.0	-45.04	358.08	5.08	-39.96
C=CCC(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300008144251	0	36	-1.0	-47.12	332.13	-1.70	-48.82
C=CCC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008144252	0	35	-1.0	-53.67	323.73	4.83	-48.84
C=CCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008144253	0	32	-1.0	-42.15	322.99	5.51	-36.64
C=CCC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008144254	0	35	-1.0	-43.16	332.09	6.31	-36.85
C=CCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C(=O)[O-]	REAL300008144255	0	32	-1.0	-51.97	321.08	5.34	-46.63
C=CCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008144256	0	35	-1.0	-46.93	326.92	6.43	-40.50
C=CCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008144257	0	35	-1.0	-55.08	329.55	5.32	-49.76
C=CCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008144258	0	40	-1.0	-43.57	346.00	4.83	-38.74
C=CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008144259	0	43	-1.0	-57.11	383.66	6.96	-50.15
C=CCC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008144260	0	42	-1.0	-56.98	375.95	5.09	-51.89
C=CCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008144261	0	40	-1.0	-45.89	368.20	0.60	-45.29
C=CCC(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300008144262	0	38	-1.0	-45.52	338.15	6.53	-38.99
C=CCC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300008144263	0	40	-1.0	-52.30	343.43	4.19	-48.11
C=CCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008144264	0	35	-1.0	-56.78	329.85	5.46	-51.32
C=CCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008144265	0	34	-1.0	-45.34	291.97	0.36	-44.98
C=CCC(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008144266	0	42	-1.0	-42.41	349.60	3.96	-38.45
C=CCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300008144267	0	36	-1.0	-55.46	325.97	3.97	-51.49
C=CCC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008144268	0	38	-1.0	-51.50	352.63	1.77	-49.73
C=CCC(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300008144269	0	33	-1.0	-49.89	323.71	4.99	-44.90
C=CCC(NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300008144270	0	41	-1.0	-51.08	341.32	3.98	-47.10
C=CCC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008144271	0	37	-1.0	-46.80	340.77	2.14	-44.66
C=CCC(NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300008144272	0	36	-1.0	-46.23	330.85	1.29	-44.94
C=CCC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008144273	0	40	-1.0	-48.55	365.32	3.34	-45.21
C=CCC(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300008144274	0	34	-1.0	-50.56	312.88	2.64	-47.92
C=CCC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300008144275	0	35	-1.0	-42.25	334.55	6.43	-35.82
C=CCC(NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300008144276	0	47	-1.0	-43.32	370.14	8.19	-35.13
C=CCC(NS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC)C(=O)[O-]	REAL300008144277	1	44	-1.0	-65.72	386.40	0.62	-65.10
C=CCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008144278	0	35	-1.0	-49.45	337.44	1.60	-47.85
C=CCC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008144279	0	38	-1.0	-65.07	332.74	7.20	-57.87
C=CCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300008144280	0	36	-1.0	-51.09	315.41	3.66	-47.43
C=CCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008144281	0	38	-1.0	-42.99	323.35	4.82	-38.17
C=CCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008144283	0	37	-1.0	-47.29	339.06	4.87	-42.42
C=CCC(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300008144284	0	36	-1.0	-41.54	339.15	3.77	-37.77
C=CCC(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300008144285	0	35	-1.0	-56.35	319.14	4.93	-51.42
C=CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008144287	0	29	-1.0	-39.79	302.18	3.77	-36.02
C=CCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008144288	0	42	-1.0	-56.54	357.40	6.79	-49.75
C=CCC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008144289	0	40	-1.0	-55.67	350.28	4.25	-51.42
C=CCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008144290	0	38	-1.0	-46.99	325.99	0.67	-46.32
C=CCC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008144291	0	32	-1.0	-52.82	306.19	4.02	-48.80
C=CCC(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300008144292	0	34	-1.0	-42.05	313.63	2.72	-39.33
C=CCC(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300008144293	0	41	-1.0	-44.11	347.49	5.15	-38.96
C=CCC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008144294	0	40	-1.0	-58.37	341.43	0.65	-57.72
C=CCC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300008144295	0	38	-1.0	-53.56	322.05	4.66	-48.90
C=CCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C(=O)[O-]	REAL300008144296	0	44	-1.0	-54.93	391.95	6.77	-48.16
C=CCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300008144297	0	48	-1.0	-50.51	410.06	4.28	-46.23
C=CCC(NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008144298	0	37	-1.0	-58.93	330.93	5.35	-53.58
C=CCC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008144299	0	29	-1.0	-50.18	290.10	4.13	-46.05
C=CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008144300	0	31	-1.0	-48.76	296.77	4.19	-44.57
C=CCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300008144301	0	35	-1.0	-54.71	314.66	5.78	-48.93
C=CCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008144302	0	31	-1.0	-50.35	296.78	4.19	-46.16
C=CCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300008144303	0	34	-1.0	-59.17	309.05	5.03	-54.14
C=CCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008144304	0	31	-1.0	-59.92	283.64	5.03	-54.89
C=CCC(NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300008144305	0	36	-1.0	-43.17	338.55	4.93	-38.24
C=CCC(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300008144306	0	41	-1.0	-44.74	330.37	6.24	-38.50
C=CCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300008144307	0	44	-1.0	-56.58	357.11	6.64	-49.94
C=CCC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008144308	0	32	-1.0	-50.21	307.30	4.52	-45.69
C=CCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008144309	0	32	-1.0	-59.25	287.69	4.25	-55.00
C=CCC(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008144310	0	35	-1.0	-60.36	324.26	4.25	-56.11
C=CCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300008144311	0	41	-1.0	-53.24	345.02	5.84	-47.40
C=CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300008144312	0	46	-1.0	-54.56	405.57	3.24	-51.32
C=CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008144313	0	40	-1.0	-54.92	364.89	1.49	-53.43
C=CCC(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300008144314	0	33	-1.0	-50.40	318.42	3.49	-46.91
C=CCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008144315	0	35	-1.0	-48.19	346.61	5.54	-42.65
C=CCC(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300008144316	0	32	-1.0	-50.23	308.28	4.70	-45.53
C=CCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300008144317	0	43	-1.0	-51.93	378.90	7.03	-44.90
C=CCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008144318	0	33	-1.0	-50.31	314.54	3.32	-46.99
C=CCC(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300008144319	0	44	-1.0	-53.60	342.54	6.59	-47.01
C=CCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008144320	0	38	-1.0	-52.69	331.33	3.46	-49.23
C=CCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300008144321	0	45	-1.0	-46.17	371.27	5.70	-40.47
C=CCC(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300008144322	0	36	-1.0	-48.46	345.05	5.96	-42.50
C=CCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008144323	0	34	-1.0	-58.94	312.72	4.71	-54.23
C=CCC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300008144324	0	33	-1.0	-43.74	319.22	3.98	-39.76
C=CCC(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300008144325	0	47	-1.0	-43.01	369.05	7.34	-35.67
C=CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008144326	0	32	-1.0	-49.85	307.50	4.52	-45.33
C=CCC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300008144327	0	39	-1.0	-53.43	331.29	6.02	-47.41
C=CCC(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300008144328	0	37	-1.0	-47.73	327.42	2.64	-45.09
C=CCC(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300008144329	0	37	-1.0	-52.50	327.24	2.73	-49.77
C=CCC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300008144330	0	37	-1.0	-43.89	318.03	5.86	-38.03
C=CCC(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300008144331	0	44	-1.0	-53.46	372.27	7.03	-46.43
C=CCC(NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300008144332	0	43	-1.0	-52.08	370.95	4.57	-47.51
C=CCC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008144333	0	34	-1.0	-56.46	323.00	-1.52	-57.98
C=CCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300008144334	0	37	-1.0	-58.21	326.13	5.55	-52.66
C=CCC(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300008144335	0	37	-1.0	-50.51	314.74	5.31	-45.20
C=CCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008144336	0	35	-1.0	-55.83	313.09	4.33	-51.50
C=CCC(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300008144337	0	33	-1.0	-53.51	313.50	3.92	-49.59
C=CCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008144338	0	34	-1.0	-49.70	323.79	-1.47	-51.17
C=CCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008144339	0	41	-1.0	-55.90	377.80	1.37	-54.53
C=CCC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300008144340	0	37	-1.0	-55.08	334.12	5.05	-50.03
C=CCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300008144341	0	38	-1.0	-51.28	319.87	4.62	-46.66
C=CCC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300008144342	0	37	-1.0	-47.52	325.60	4.87	-42.65
C=CCC(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008144343	0	37	-1.0	-58.40	322.62	6.25	-52.15
C=CCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008144344	0	40	-1.0	-49.43	365.18	1.57	-47.86
C=CCC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008144345	0	41	-1.0	-55.54	355.48	2.91	-52.63
C=CCC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008144346	0	35	-1.0	-53.71	330.31	1.10	-52.61
C=CCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008144347	0	39	-1.0	-54.44	325.51	7.09	-47.35
C=CCC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008144348	0	35	-1.0	-56.75	307.63	5.79	-50.96
C=CCC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008144349	0	39	-1.0	-53.79	342.71	6.94	-46.85
C=CCC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008144350	0	43	-1.0	-54.44	361.13	5.62	-48.82
C=CCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008144351	0	30	-1.0	-55.50	293.60	1.92	-53.58
C=CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300008144352	0	33	-1.0	-43.76	314.65	3.88	-39.88
C=CCC(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300008144353	0	44	-1.0	-53.27	359.24	6.31	-46.96
C=CCC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300008144354	0	32	-1.0	-53.63	303.98	4.63	-49.00
C=CCC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300008144355	0	39	-1.0	-52.82	337.83	4.37	-48.45
C=CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008144356	0	34	-1.0	-51.30	321.82	6.05	-45.25
C=CCC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008144357	0	34	-1.0	-50.09	293.66	4.66	-45.43
C=CCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008144358	0	40	-1.0	-53.56	374.05	6.91	-46.65
C=CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300008144359	0	35	-1.0	-51.02	325.11	4.07	-46.95
C=CCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300008144360	0	33	-1.0	-50.67	304.47	2.88	-47.79
C=CCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008144361	0	40	-1.0	-52.30	374.19	6.88	-45.42
C=CCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300008144362	0	44	-1.0	-52.31	386.97	5.66	-46.65
C=CCC(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300008144363	0	56	-1.0	-43.92	428.84	9.56	-34.36
C=CCC(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300008144364	0	45	-1.0	-46.35	373.34	6.67	-39.68
C=CCC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008144365	0	32	-1.0	-38.73	320.53	5.18	-33.55
C=CCC(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300008144366	0	39	-1.0	-47.26	338.72	5.30	-41.96
C=CCC(NS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1)C(=O)[O-]	REAL300008144367	0	45	-1.0	-44.01	389.23	1.24	-42.77
C=CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008144368	0	34	-1.0	-49.47	309.04	5.01	-44.46
C=CCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008144369	0	34	-1.0	-49.94	303.62	4.82	-45.12
C=CCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300008144370	0	37	-1.0	-59.53	325.88	5.87	-53.66
C=CCC(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300008144371	0	41	-1.0	-53.23	349.70	6.21	-47.02
C=CCC(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300008144372	0	39	-1.0	-53.33	345.13	4.03	-49.30
C=CCC(NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300008144373	0	41	-1.0	-41.98	340.79	0.84	-41.14
C=CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300008144374	0	32	-1.0	-54.56	297.57	4.87	-49.69
C=CCC(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300008144375	0	39	-1.0	-44.51	340.93	4.43	-40.08
C=CCC(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300008144376	0	45	-1.0	-51.79	380.70	5.84	-45.95
C=CCC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008144377	0	43	-1.0	-51.97	363.42	5.73	-46.24
C=CCC(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300008144378	0	42	-1.0	-51.70	361.50	5.24	-46.46
C=CCC(NS(=O)(=O)C1=CC=C(OCCC)C=C1)C(=O)[O-]	REAL300008144379	0	39	-1.0	-52.60	341.36	4.55	-48.05
C=CCC(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300008144380	0	33	-1.0	-50.43	314.03	3.38	-47.05
C=CCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300008144381	0	33	-1.0	-51.47	323.79	3.65	-47.82
C=CCC(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300008144382	0	42	-1.0	-52.15	357.85	5.11	-47.04
C=CCC(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300008144383	0	40	-1.0	-55.37	353.73	3.01	-52.36
C=CCC(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008144384	0	32	-1.0	-51.21	302.41	4.94	-46.27
C=CCC(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300008144385	0	37	-1.0	-48.38	315.03	6.33	-42.05
C=CCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300008144386	0	38	-1.0	-65.35	341.80	1.86	-63.49
C=CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300008144387	0	41	-1.0	-54.60	377.54	1.37	-53.23
C=CCC(NS(=O)(=O)C1=CSC2=CC=CC=C21)C(=O)[O-]	REAL300008144388	0	32	-1.0	-52.86	304.29	4.84	-48.02
C=CCC(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300008144389	0	33	-1.0	-49.56	304.23	2.90	-46.66
C=CCC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008144390	0	39	-1.0	-53.99	342.76	6.94	-47.05
C=CCC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008144391	0	32	-1.0	-54.20	325.65	5.24	-48.96
C=CCC(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300008144392	0	35	-1.0	-46.35	349.06	4.13	-42.22
C=CCC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300008144393	0	49	-1.0	-51.60	403.11	7.14	-44.46
C=CCC(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300008144394	0	37	-1.0	-45.37	331.29	1.21	-44.16
C=CCC(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300008144395	0	39	-1.0	-43.07	322.25	4.31	-38.76
C=CCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008144396	0	40	-1.0	-46.61	351.58	7.66	-38.95
C=CCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300008144397	0	39	-1.0	-55.20	330.44	4.35	-50.85
C=CCC(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300008144398	0	37	-1.0	-54.56	314.66	4.74	-49.82
C=CCC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300008144399	0	34	-1.0	-56.13	303.16	3.97	-52.16
C=CCC(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008144400	0	34	-1.0	-53.64	317.41	4.38	-49.26
C=CCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008144401	0	36	-1.0	-52.83	339.46	4.21	-48.62
C=CCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008144402	0	43	-1.0	-53.30	380.03	6.80	-46.50
C=CCC(NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300008144403	0	37	-1.0	-58.67	331.86	4.78	-53.89
C=CCC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008144404	0	39	-1.0	-45.81	355.59	5.14	-40.67
C=CCC(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300008144405	0	51	-1.0	-41.96	402.03	6.39	-35.57
C=CCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008144406	0	37	-1.0	-57.17	345.60	0.14	-57.03
C=CCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008144407	0	44	-1.0	-51.65	389.29	2.67	-48.98
C=CCC(NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300008144408	0	42	-1.0	-46.35	355.27	6.03	-40.32
C=CCC(NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300008144409	0	39	-1.0	-47.08	341.19	4.93	-42.15
C=CCC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008144410	0	34	-1.0	-60.62	317.08	3.70	-56.92
C=CCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008144411	0	36	-1.0	-49.49	330.18	4.71	-44.78
C=CCC(NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300008144412	0	43	-1.0	-55.38	375.58	3.98	-51.40
C=CCC(NS(=O)(=O)C1=CC=C(OCCCCC)C=C1)C(=O)[O-]	REAL300008144413	0	45	-1.0	-52.81	384.60	6.10	-46.71
C=CCC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300008144414	0	39	-1.0	-54.92	321.10	6.02	-48.90
C=CCC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300008144415	0	33	-1.0	-51.59	325.17	4.97	-46.62
C=CCC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008144416	0	37	-1.0	-52.27	328.50	4.75	-47.52
C=CCC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008144417	0	34	-1.0	-58.89	317.04	3.69	-55.20
C=CCC(NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300008144418	0	39	-1.0	-53.19	332.06	4.58	-48.61
C=CCC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008144419	0	33	-1.0	-55.47	306.63	3.67	-51.80
C=CCC(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300008144420	0	33	-1.0	-51.89	308.75	4.54	-47.35
C=CCC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008144421	0	35	-1.0	-42.70	331.00	5.27	-37.43
C=CCC(NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300008144422	0	40	-1.0	-41.89	338.79	5.34	-36.55
C=CCC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008144423	0	35	-1.0	-46.73	310.80	3.24	-43.49
C=CCC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300008144424	0	34	-1.0	-45.88	304.89	4.06	-41.82
C=CCC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300008144425	0	41	-1.0	-45.59	357.24	5.44	-40.15
C=CCC(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300008144426	0	35	-1.0	-54.38	322.95	5.03	-49.35
C=CCC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300008144427	0	35	-1.0	-45.14	340.19	4.26	-40.88
C=CCC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008144428	0	38	-1.0	-46.90	334.44	5.18	-41.72
C=CCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300008144429	0	37	-1.0	-50.31	335.11	3.22	-47.09
C=CCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008144430	0	40	-1.0	-48.01	332.14	4.82	-43.19
C=CCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008144431	0	32	-1.0	-55.53	305.98	4.67	-50.86
C=CCC(NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300008144432	0	37	-1.0	-45.45	347.75	3.36	-42.09
C=CCC(NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300008144433	0	42	-1.0	-61.90	389.64	5.70	-56.20
C=CCC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300008144434	0	37	-1.0	-56.08	327.79	4.20	-51.88
C=CCC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008144435	0	32	-1.0	-45.08	315.52	5.11	-39.97
C=CCC(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008144436	0	37	-1.0	-45.73	326.67	4.19	-41.54
C=CCC(NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300008144437	0	41	-1.0	-42.22	326.71	6.76	-35.46
C=CCC(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300008144438	0	41	-1.0	-42.32	353.82	2.47	-39.85
C=CCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300008144439	0	40	-1.0	-52.41	373.96	6.89	-45.52
C=CCC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008144440	0	35	-1.0	-48.76	322.42	4.65	-44.11
C=CCC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300008144441	0	35	-1.0	-45.15	350.51	4.71	-40.44
C=CCC(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300008144442	0	38	-1.0	-55.06	345.16	2.58	-52.48
C=CCC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008144443	0	32	-1.0	-51.71	302.03	2.32	-49.39
C=CCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300008144444	0	37	-1.0	-46.06	323.31	4.20	-41.86
C=CCC(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300008144445	0	39	-1.0	-47.80	351.58	5.37	-42.43
C=CCC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008144446	0	37	-1.0	-44.80	343.40	4.69	-40.11
C=CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300008144447	0	34	-1.0	-48.67	312.73	4.70	-43.97
C=CCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300008144448	0	40	-1.0	-57.81	357.11	4.29	-53.52
C=CCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008144449	0	31	-1.0	-52.48	300.58	2.98	-49.50
C=CCC(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300008144450	0	38	-1.0	-45.92	334.65	6.48	-39.44
C=CCC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300008144451	0	34	-1.0	-57.17	315.51	3.58	-53.59
C=CCC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008144452	0	35	-1.0	-54.28	330.39	5.54	-48.74
C=CCC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008144453	0	41	-1.0	-53.78	342.73	4.07	-49.71
C=CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008144454	0	31	-1.0	-50.16	303.29	2.72	-47.44
C=CCC(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300008144455	0	37	-1.0	-62.35	321.02	4.08	-58.27
C=CCC(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008144456	0	37	-1.0	-48.82	325.02	5.53	-43.29
C=CCC(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300008144457	0	37	-1.0	-49.22	325.47	6.55	-42.67
C=CCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300008144458	0	37	-1.0	-59.32	325.15	5.36	-53.96
C=CCC(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008144459	0	39	-1.0	-56.02	343.41	4.30	-51.72
C=CCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008144460	0	38	-1.0	-43.43	340.35	5.20	-38.23
C=CCC(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300008144461	0	37	-1.0	-55.70	327.79	2.13	-53.57
C=CCC(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300008144462	0	35	-1.0	-42.16	306.87	3.05	-39.11
C=CCC(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300008144463	0	33	-1.0	-49.56	314.04	3.38	-46.18
C=CCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008144464	0	37	-1.0	-61.38	317.69	5.07	-56.31
C=CCC(NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300008144465	0	41	-1.0	-54.20	345.57	6.09	-48.11
C=CCC(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008144466	0	37	-1.0	-38.89	321.84	5.77	-33.12
C=CCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300008144467	0	39	-1.0	-46.58	325.75	5.08	-41.50
C=CCC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300008144468	0	30	-1.0	-41.14	292.09	1.45	-39.69
C=CCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300008144469	0	35	-1.0	-48.28	312.90	5.43	-42.85
C=CCC(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300008144470	0	35	-1.0	-41.99	316.64	4.91	-37.08
C=CCC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300008144471	0	36	-1.0	-62.03	324.76	3.25	-58.78
C=CCC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300008144472	0	31	-1.0	-58.24	299.72	3.10	-55.14
C=CCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008144473	0	32	-1.0	-39.33	305.34	4.74	-34.59
C=CCC(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300008144474	0	32	-1.0	-50.32	304.25	4.60	-45.72
C=CCC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300008144475	0	35	-1.0	-64.57	316.64	4.50	-60.07
C=CCC(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300008144476	0	38	-1.0	-54.12	355.00	4.98	-49.14
C=CCC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300008144477	0	37	-1.0	-48.15	320.81	4.80	-43.35
C=CCC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300008144478	0	36	-1.0	-60.85	333.67	1.38	-59.47
C=CCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300008144479	0	38	-1.0	-50.82	331.24	3.96	-46.86
C=CCC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300008144480	0	32	-1.0	-41.45	308.49	4.73	-36.72
C=CCC(NS(=O)(=O)C1=CC=C(OCCCCCCCC)C=C1)C(=O)[O-]	REAL300008144481	0	54	-1.0	-52.44	448.85	8.45	-43.99
C=CCC(NS(=O)(=O)C1=CC(Br)=CC=C1OCCC)C(=O)[O-]	REAL300008144482	0	39	-1.0	-56.47	361.49	5.73	-50.74
C=CCC(NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300008144483	0	42	-1.0	-45.13	359.29	5.27	-39.86
C=CCC(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300008144484	0	42	-1.0	-54.43	345.55	3.83	-50.60
C=CCC(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300008144485	0	45	-1.0	-55.10	360.09	4.55	-50.55
C=CCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300008144486	0	43	-1.0	-51.31	385.99	6.88	-44.43
C=CCC(NS(=O)(=O)C1=CC=C(OCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008144487	0	48	-1.0	-53.49	400.23	6.57	-46.92
C=CCC(NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300008144488	0	42	-1.0	-59.94	359.43	5.45	-54.49
C=CCC(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300008144489	0	32	-1.0	-43.79	309.36	3.10	-40.69
C=CCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008144490	0	37	-1.0	-49.76	329.13	5.90	-43.86
C=CCC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300008144491	0	42	-1.0	-52.37	363.87	5.46	-46.91
C=CCC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300008144492	0	32	-1.0	-46.90	310.09	2.21	-44.69
C=CCC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008144493	0	40	-1.0	-52.71	369.39	7.61	-45.10
C=CCC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300008144494	0	39	-1.0	-48.77	330.86	6.84	-41.93
C=CCC(NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300008144495	0	49	-1.0	-46.82	424.96	8.47	-38.35
C=CCC(NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300008144496	0	42	-1.0	-55.07	351.82	5.12	-49.95
C=CCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008144497	0	35	-1.0	-49.58	340.00	5.38	-44.20
C=CCC(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008144498	1	31	-1.0	-61.07	297.10	2.54	-58.53
C=CCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300008144499	0	38	-1.0	-48.14	319.82	6.65	-41.49
C=CCC(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300008144500	0	38	-1.0	-49.47	337.76	2.07	-47.40
C=CCC(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300008144501	0	33	-1.0	-51.68	302.43	3.66	-48.02
C=CCC(NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008144502	0	45	-1.0	-53.97	378.73	5.77	-48.20
C=CCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300008144503	0	41	-1.0	-53.62	346.74	5.78	-47.84
C=CCC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008144504	0	48	-1.0	-42.90	393.80	8.06	-34.84
C=CCC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300008144505	0	39	-1.0	-49.81	324.85	3.58	-46.23
C=CCC(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300008144506	0	41	-1.0	-55.46	331.76	3.40	-52.06
C=CCC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300008144507	0	39	-1.0	-47.81	337.01	3.93	-43.88
C=CCC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300008144508	0	32	-1.0	-41.15	299.26	2.39	-38.76
C=CCC(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008144509	0	36	-1.0	-46.12	326.52	3.69	-42.43
C=CCCC1=CC=C(S(=O)(=O)NC(CC=C)C(=O)[O-])C=C1	REAL300008144510	0	39	-1.0	-53.38	346.01	6.29	-47.09
C=CCC(NS(=O)(=O)C1=CC=C(OCCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008144511	0	51	-1.0	-51.78	421.73	7.35	-44.43
C=CCC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008144512	0	33	-1.0	-43.10	318.25	5.28	-37.82
C=CCC(NS(=O)(=O)C1=CC=C(OCCC)C(C(C)(C)C)=C1)C(=O)[O-]	REAL300008144513	0	51	-1.0	-53.55	412.55	7.23	-46.32
C=CCC(NS(=O)(=O)C1=CC=C(OCCC)C(CC)=C1)C(=O)[O-]	REAL300008144514	0	45	-1.0	-52.86	383.06	6.04	-46.82
C=CCC(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300008144515	0	35	-1.0	-39.56	309.55	5.51	-34.05
C=CCC(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008144516	0	35	-1.0	-54.66	329.25	5.43	-49.23
C=CCC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008144517	0	33	-1.0	-43.90	313.50	5.17	-38.73
C=CCC(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008144518	0	45	-1.0	-51.59	383.27	6.28	-45.31
C=CCC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300008144519	0	34	-1.0	-56.51	303.21	3.90	-52.61
C=CCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300008144520	0	44	-1.0	-51.75	397.66	7.37	-44.38
C=CCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300008144521	0	39	-1.0	-51.43	326.22	3.73	-47.70
C=CCC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300008144522	0	40	-1.0	-44.78	328.52	1.92	-42.86
C=CCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300008144523	0	35	-1.0	-52.67	336.44	4.46	-48.21
C=CCC(NS(=O)(=O)C1=CC=C(OCCCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008144524	0	54	-1.0	-51.47	442.96	8.13	-43.34
C=CCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300008144525	0	45	-1.0	-57.46	363.24	5.00	-52.46
C=CCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300008144526	0	39	-1.0	-43.26	341.21	5.06	-38.20
C=CCC(NS(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1)C(=O)[O-]	REAL300008144527	0	52	-1.0	-53.99	434.19	5.98	-48.01
C=CCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300008144528	0	37	-1.0	-58.85	326.06	4.18	-54.67
C=CCC(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008144529	0	37	-1.0	-50.85	338.10	3.21	-47.64
C=CCC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300008144530	0	35	-1.0	-46.39	320.12	4.18	-42.21
C=CCC(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300008144531	0	34	-1.0	-63.86	310.20	3.13	-60.73
C=CCC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300008144532	0	32	-1.0	-46.15	306.21	5.00	-41.15
C=CCC(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300008144533	0	38	-1.0	-42.17	318.97	5.78	-36.39
C=CCC(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300008144534	0	37	-1.0	-54.38	325.17	3.43	-50.95
C=CCC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300008144535	0	42	-1.0	-46.68	354.49	4.44	-42.24
C=CCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300008144536	0	41	-1.0	-50.97	344.14	4.00	-46.97
C=CCC(NS(=O)(=O)C1=CN(CCCC)N=C1C)C(=O)[O-]	REAL300008144537	0	41	-1.0	-52.08	356.29	4.16	-47.92
C=CCC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300008144538	0	33	-1.0	-55.31	308.02	3.09	-52.22
C=CCC(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300008144539	0	34	-1.0	-54.01	312.10	1.90	-52.11
C=CCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300008144540	0	35	-1.0	-55.20	320.51	5.51	-49.69
C=CCC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300008144541	0	35	-1.0	-49.29	336.66	4.65	-44.64
C=CCC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300008144542	0	39	-1.0	-46.83	340.50	3.91	-42.92
C=CCC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300008144543	0	47	-1.0	-57.64	370.22	6.86	-50.78
C=CCC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300008144544	0	35	-1.0	-50.21	340.01	5.39	-44.82
C=CCC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300008144545	0	39	-1.0	-46.67	343.61	4.23	-42.44
C=CCC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300008144546	0	33	-1.0	-55.64	297.55	4.39	-51.25
C=CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300008144547	0	40	-1.0	-57.18	367.04	6.41	-50.77
C=CCC(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008144548	0	38	-1.0	-71.74	332.46	4.90	-66.84
C=CCC(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300008144549	0	38	-1.0	-52.30	308.55	2.94	-49.36
C=CCC(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300008144550	0	38	-1.0	-45.10	331.88	3.26	-41.84
C=CCC(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008144551	0	34	-1.0	-46.69	319.55	3.34	-43.35
C=CCC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008144552	0	32	-1.0	-39.07	314.76	4.64	-34.43
C=CCC(NS(=O)(=O)C1=CC=CC(C(=O)CCC)=C1)C(=O)[O-]	REAL300008144553	0	40	-1.0	-48.06	353.84	5.65	-42.41
C=CCC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300008144554	0	40	-1.0	-55.65	337.25	6.57	-49.08
C=CCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300008144555	0	35	-1.0	-51.40	331.12	4.54	-46.86
C=CCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300008144556	0	39	-1.0	-50.75	365.01	4.29	-46.46
C=CCC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300008144557	0	29	-1.0	-55.80	282.07	3.16	-52.64
C=CCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300008144558	0	39	-1.0	-52.13	330.43	3.91	-48.22
C=CCC(NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300008144559	0	38	-1.0	-49.04	327.33	3.39	-45.65
C=CCC(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300008144560	0	43	-1.0	-42.65	339.60	4.64	-38.01
C=CCC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300008144561	0	43	-1.0	-52.81	361.40	2.42	-50.39
C=CCC(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300008144562	0	35	-1.0	-51.83	322.02	5.05	-46.78
C=CCC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300008144563	0	33	-1.0	-44.99	308.51	3.19	-41.80
C=CCC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300008144564	0	44	-1.0	-40.89	364.38	6.30	-34.59
C=CCC(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008144565	0	40	-1.0	-52.76	338.36	5.89	-46.87
C=CCC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300008144566	0	37	-1.0	-52.08	307.99	3.05	-49.03
C=CCC(NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300008144567	0	39	-1.0	-54.57	345.48	4.21	-50.36
C=CCC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300008144568	0	32	-1.0	-45.81	328.89	5.60	-40.21
C=CCC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300008144569	0	39	-1.0	-51.35	341.14	4.29	-47.06
C=CCC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300008144570	0	42	-1.0	-47.41	356.00	4.53	-42.88
C=CCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008144571	0	40	-1.0	-52.02	357.44	6.37	-45.65
C=CCC(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300008144572	0	35	-1.0	-42.38	327.31	5.32	-37.06
C=CCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300008144573	0	38	-1.0	-46.82	322.85	6.29	-40.53
C=CCC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008144574	0	39	-1.0	-54.77	339.32	4.84	-49.93
C=CCC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008144575	0	33	-1.0	-43.00	322.81	5.38	-37.62
C=CCC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008144576	0	33	-1.0	-52.57	323.20	5.37	-47.20
C=CCC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300008144577	0	34	-1.0	-42.30	311.38	-2.52	-44.82
C=CCC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300008144578	0	31	-1.0	-52.72	299.67	2.90	-49.82
C=CCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008144579	0	38	-1.0	-52.06	336.34	3.79	-48.27
C=CCC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300008144580	0	46	-1.0	-42.53	345.18	6.42	-36.11
C=CCC(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300008144581	0	37	-1.0	-53.05	335.34	0.32	-52.73
C=CCC(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300008144582	0	42	-1.0	-56.82	342.67	3.87	-52.95
C=CCC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008144583	0	33	-1.0	-63.87	316.63	2.53	-61.34
C=CCC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300008144584	0	39	-1.0	-56.86	350.58	6.36	-50.50
C=CCC(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300008144585	0	38	-1.0	-59.76	321.10	0.94	-58.82
C=CCC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300008144586	0	42	-1.0	-55.18	335.74	5.51	-49.67
C=CCC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300008144587	0	33	-1.0	-54.18	313.05	4.87	-49.31
C=CCC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300008144588	0	51	-1.0	-54.71	398.17	7.69	-47.02
C=CCC(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008144589	0	40	-1.0	-54.12	342.84	4.56	-49.56
C=CCC(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300008144590	0	34	-1.0	-57.16	311.14	1.11	-56.05
C=CCC(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300008144591	0	41	-1.0	-53.70	327.89	3.92	-49.78
C=CCC(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300008144592	0	40	-1.0	-41.29	343.16	5.29	-36.00
C=CCC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300008144593	0	33	-1.0	-56.80	309.77	3.77	-53.03
C=CCC(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008144594	0	33	-1.0	-43.61	304.91	3.11	-40.50
C=CCC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300008144595	0	33	-1.0	-56.08	313.99	3.17	-52.91
C=CCC(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300008144596	0	35	-1.0	-51.81	312.71	3.46	-48.35
C=CCC(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300008144597	0	36	-1.0	-50.75	323.33	5.34	-45.41
C=CCC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300008144598	0	38	-1.0	-41.43	346.22	4.02	-37.41
C=CCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008144599	0	42	-1.0	-54.47	357.52	5.85	-48.62
C=CCC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008144600	0	40	-1.0	-53.06	357.49	6.34	-46.72
C=CCC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300008144601	0	35	-1.0	-65.68	299.70	4.67	-61.01
C=CCC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300008144602	0	30	-1.0	-43.64	295.96	2.47	-41.17
C=CCC(NS(=O)(=O)C1=CC=CC(OCC(=C)C)=C1)C(=O)[O-]	REAL300008144603	0	40	-1.0	-45.02	352.90	5.23	-39.79
C=CCC(NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300008144604	0	39	-1.0	-47.82	346.52	4.26	-43.56
C=CCC(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300008144605	0	33	-1.0	-63.86	307.99	2.93	-60.93
C=CCC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300008144606	0	35	-1.0	-42.51	329.99	6.33	-36.18
C=CCC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008144607	0	39	-1.0	-44.50	360.54	7.52	-36.98
C=CCC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300008144608	0	28	-1.0	-46.96	287.47	2.36	-44.60
C=CCC(NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300008144609	0	35	-1.0	-50.52	327.80	5.38	-45.14
C=CCC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300008144610	0	42	-1.0	-44.59	353.98	4.72	-39.87
C=CCC(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300008144611	0	43	-1.0	-45.20	371.48	3.91	-41.29
C=CCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300008144612	0	35	-1.0	-44.80	322.83	6.30	-38.50
C=CCC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300008144613	0	37	-1.0	-46.75	315.19	1.20	-45.55
C=CCC(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300008144614	0	35	-1.0	-44.64	332.19	3.37	-41.27
C=CCC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300008144615	0	44	-1.0	-52.50	370.42	3.90	-48.60
C=CCC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300008144616	0	32	-1.0	-41.18	294.34	1.50	-39.68
C=CCC(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300008144617	0	35	-1.0	-49.70	315.94	0.94	-48.76
C=CCC(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300008144618	0	38	-1.0	-46.33	332.58	3.74	-42.59
C=CCC(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300008144619	0	38	-1.0	-52.45	328.92	3.12	-49.33
C=CCC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300008144620	0	39	-1.0	-38.70	321.66	1.08	-37.62
C=CCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008144621	0	34	-1.0	-55.19	316.69	5.55	-49.64
C=CCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300008144622	0	40	-1.0	-57.48	342.12	3.97	-53.51
C=CCC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300008144623	0	36	-1.0	-50.73	324.36	4.80	-45.93
C=CCC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300008144624	0	31	-1.0	-57.43	298.16	2.50	-54.93
C=CCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300008144625	0	38	-1.0	-56.77	328.47	3.23	-53.54
C=CCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300008144626	0	43	-1.0	-52.08	377.61	7.07	-45.01
C=CCC(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008144627	0	34	-1.0	-51.93	296.44	4.84	-47.09
C=CCC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300008144628	0	32	-1.0	-38.76	301.12	3.30	-35.46
C=CCC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300008144629	0	37	-1.0	-59.37	320.21	-0.91	-60.28
C=CCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300008144630	0	36	-1.0	-61.52	312.20	3.43	-58.09
C=CCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300008144631	0	35	-1.0	-40.14	316.70	2.00	-38.14
C=CCC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300008144632	0	34	-1.0	-52.76	303.38	3.88	-48.88
C=CCC(NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300008144633	0	35	-1.0	-51.38	304.91	3.57	-47.81
C=CCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008144634	0	37	-1.0	-61.70	325.81	4.87	-56.83
C=CCC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300008144635	0	31	-1.0	-50.87	299.81	2.62	-48.25
C=CCC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300008144636	0	36	-1.0	-52.59	341.29	4.46	-48.13
C=CCC(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300008144637	0	42	-1.0	-46.17	356.33	5.60	-40.57
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC=C1	REAL300008144638	0	39	-1.0	-56.17	324.24	4.39	-51.78
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC(F)=C1	REAL300008144639	0	39	-1.0	-51.80	330.41	4.47	-47.33
CC(=O)C1=CC=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144640	0	44	-1.0	-60.14	365.52	4.78	-55.36
CCCCN(C)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144641	0	46	-1.0	-54.18	362.42	3.93	-50.25
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CS1	REAL300008144642	0	36	-1.0	-56.62	321.01	3.12	-53.50
CCC(C)C1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144643	0	51	-1.0	-46.37	406.93	6.77	-39.60
CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300008144644	0	39	-1.0	-45.99	342.06	4.00	-41.99
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(Cl)S1	REAL300008144645	0	36	-1.0	-43.43	339.47	3.83	-39.60
COC1=CC=C(C)C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144646	0	46	-1.0	-47.14	362.02	4.97	-42.17
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008144647	0	43	-1.0	-46.15	356.03	4.42	-41.73
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)N1CCOCC1	REAL300008144648	0	42	-1.0	-40.17	327.33	1.05	-39.12
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144649	0	45	-1.0	-56.78	391.20	1.74	-55.04
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008144650	0	43	-1.0	-50.31	370.24	4.18	-46.13
COC1=CC(C)=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1OC	REAL300008144651	0	50	-1.0	-47.42	398.62	4.18	-43.24
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144652	0	42	-1.0	-54.37	353.82	5.29	-49.08
CN1C=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300008144653	0	39	-1.0	-56.70	330.97	2.12	-54.58
CCN(CC)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144654	0	43	-1.0	-54.87	332.94	2.89	-51.98
CN(C1CCCCC1)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144655	0	50	-1.0	-45.46	384.57	4.68	-40.78
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144656	0	45	-1.0	-52.09	354.43	3.21	-48.88
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008144657	0	55	-1.0	-46.13	430.11	7.99	-38.14
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008144658	0	45	-1.0	-48.55	372.75	3.34	-45.21
CCC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144659	0	45	-1.0	-47.08	373.40	5.65	-41.43
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC=C1Br	REAL300008144660	0	39	-1.0	-45.79	346.04	4.96	-40.83
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008144661	0	39	-1.0	-51.77	345.30	5.03	-46.74
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144662	0	44	-1.0	-59.55	348.58	6.71	-52.84
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008144663	0	45	-1.0	-54.86	388.56	6.51	-48.35
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144664	0	49	-1.0	-65.87	410.28	1.04	-64.83
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144665	0	50	-1.0	-45.47	410.71	6.01	-39.46
CC1=CC(F)=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144666	0	42	-1.0	-47.32	358.32	4.95	-42.37
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1CC1	REAL300008144667	0	42	-1.0	-56.02	343.53	4.54	-51.48
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008144668	0	45	-1.0	-54.02	366.93	4.88	-49.14
COCC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144669	0	46	-1.0	-47.29	385.58	3.94	-43.35
CCOC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300008144670	0	45	-1.0	-50.03	373.89	2.04	-47.99
CS(=O)(=O)CCCS(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144671	0	44	-1.0	-70.47	375.56	0.51	-69.96
COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C(C)=C1C	REAL300008144672	0	49	-1.0	-47.18	387.89	4.97	-42.21
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008144673	0	44	-1.0	-57.22	365.22	4.77	-52.45
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1=NOC=C1	REAL300008144674	0	38	-1.0	-49.62	324.48	2.13	-47.49
CC1=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=NN1C	REAL300008144675	0	42	-1.0	-47.30	347.83	2.22	-45.08
CN(C1CCOCC1)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144676	0	48	-1.0	-43.61	370.89	2.12	-41.49
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)N1CC2CCC1C2	REAL300008144677	0	45	-1.0	-44.93	351.52	3.64	-41.29
CC1=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008144678	0	48	-1.0	-53.48	397.30	5.28	-48.20
CCN1N=C(C)C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1C	REAL300008144679	0	48	-1.0	-50.01	386.64	4.09	-45.92
CC(C)N1C=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300008144680	0	45	-1.0	-52.25	370.96	3.47	-48.78
CC(C)CN1C=NC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144681	0	48	-1.0	-63.60	391.14	5.41	-58.19
CC(C)N1C=NC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144682	0	45	-1.0	-63.11	370.82	4.78	-58.33
CC(C)C1=NC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=CN1	REAL300008144683	0	45	-1.0	-60.93	369.17	3.35	-57.58
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144684	0	51	-1.0	-45.43	376.04	6.39	-39.04
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144685	0	47	-1.0	-59.67	390.47	3.80	-55.87
CC1=C(F)C=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144686	0	42	-1.0	-44.14	344.63	5.00	-39.14
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008144687	0	45	-1.0	-45.97	380.79	6.83	-39.14
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008144688	0	43	-1.0	-52.34	369.69	4.04	-48.30
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144689	0	54	-1.0	-50.82	428.71	5.68	-45.14
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008144690	0	42	-1.0	-48.30	364.68	5.14	-43.16
COCC1=CC=C(OC)C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144691	0	50	-1.0	-47.32	395.69	4.03	-43.29
COCCC(C)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144692	0	45	-1.0	-38.48	336.59	3.69	-34.79
COC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144693	0	43	-1.0	-43.52	348.75	4.08	-39.44
CCC(C)CS(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144694	0	44	-1.0	-56.09	345.64	4.39	-51.70
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008144695	0	57	-1.0	-54.16	408.45	5.98	-48.18
CC1=NC2=C(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])C=CC=C2C=C1	REAL300008144696	0	47	-1.0	-53.27	372.75	5.67	-47.60
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008144697	0	47	-1.0	-67.24	391.11	6.41	-60.83
CCN(CC1CC1)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144698	0	47	-1.0	-43.81	377.78	4.64	-39.17
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008144699	0	50	-1.0	-48.06	405.41	2.73	-45.33
CCCN1C=NC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144700	0	45	-1.0	-63.95	374.13	5.18	-58.77
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCOCC1CC1	REAL300008144701	0	46	-1.0	-46.69	380.12	3.48	-43.21
CC(COC1CCCC1)CS(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144702	0	55	-1.0	-42.11	426.56	5.50	-36.61
CCOCC(C)CS(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144703	0	48	-1.0	-57.00	382.21	3.81	-53.19
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008144704	0	47	-1.0	-47.81	388.19	2.00	-45.81
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008144705	0	43	-1.0	-41.55	353.98	4.54	-37.01
COC1=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008144706	0	45	-1.0	-44.83	386.03	4.96	-39.87
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144707	0	45	-1.0	-42.21	381.40	6.06	-36.15
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144708	0	45	-1.0	-42.82	378.13	5.97	-36.85
CC1=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=CC=C1C(F)(F)F	REAL300008144709	0	45	-1.0	-50.76	378.67	5.91	-44.85
CC(C)C1=CC=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144710	0	48	-1.0	-45.50	375.63	6.06	-39.44
CCOC1=CC=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144711	0	46	-1.0	-54.91	375.59	4.62	-50.29
COCCN1C=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300008144712	0	46	-1.0	-52.00	385.94	2.02	-49.98
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008144713	0	46	-1.0	-48.60	392.60	4.72	-43.88
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008144714	0	47	-1.0	-57.84	400.05	6.66	-51.18
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008144715	0	44	-1.0	-56.57	365.56	4.72	-51.85
CC1CCN(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300008144716	0	44	-1.0	-45.18	351.80	3.55	-41.63
COCC1=CC=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144717	0	46	-1.0	-45.77	369.99	4.13	-41.64
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008144718	0	42	-1.0	-58.52	370.14	3.49	-55.03
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008144719	0	42	-1.0	-56.36	365.50	3.26	-53.10
CC1(C)CC2=CC(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])=CC=C2O1	REAL300008144720	0	50	-1.0	-53.90	401.53	5.65	-48.25
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008144721	0	42	-1.0	-51.62	357.41	3.17	-48.45
CSC1=CC=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144722	0	43	-1.0	-48.92	365.80	5.29	-43.63
CCC1=CC=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144723	0	45	-1.0	-55.75	367.13	5.80	-49.95
CCC1=CC=C(CS(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144724	0	48	-1.0	-56.93	392.88	6.67	-50.26
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1=CC=CS1	REAL300008144725	0	42	-1.0	-55.68	362.06	5.08	-50.60
CC1=CC=C(CS(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1C	REAL300008144726	0	48	-1.0	-46.80	387.92	6.06	-40.74
CC(C)CN(C)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144727	0	46	-1.0	-54.36	355.17	3.62	-50.74
CN(C1CCCC1)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144728	0	47	-1.0	-55.41	354.29	3.94	-51.47
CCCN(C)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144729	0	43	-1.0	-54.38	341.17	3.13	-51.25
CC1(C)CN(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])CCO1	REAL300008144730	0	48	-1.0	-44.58	375.23	2.85	-41.73
CC1=NOC(CS(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144731	0	41	-1.0	-43.23	346.61	3.01	-40.22
CC(C)N1N=CC2=CC(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])=CC=C21	REAL300008144732	0	51	-1.0	-49.27	421.23	5.76	-43.51
CCS(=O)(=O)NCCS(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144733	0	46	-1.0	-60.05	390.42	-0.76	-60.81
CC1=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008144734	0	45	-1.0	-53.25	379.01	5.82	-47.43
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008144735	0	45	-1.0	-49.99	388.05	7.06	-42.93
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1CCCO1	REAL300008144736	0	46	-1.0	-57.58	368.09	3.32	-54.26
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008144737	0	45	-1.0	-44.90	389.27	5.97	-38.93
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008144738	0	50	-1.0	-46.39	406.90	5.48	-40.91
CC1=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008144739	0	48	-1.0	-52.53	386.50	7.17	-45.36
CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1N(C)C	REAL300008144740	0	50	-1.0	-46.26	402.85	4.83	-41.43
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008144741	0	44	-1.0	-48.60	352.92	1.01	-47.59
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCOCC1CCCC1	REAL300008144742	0	52	-1.0	-45.59	410.48	4.60	-40.99
COC1=CC(C)=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1Cl	REAL300008144743	0	46	-1.0	-45.64	387.93	4.77	-40.87
CSC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1Cl	REAL300008144744	0	43	-1.0	-51.21	379.42	5.87	-45.34
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144745	0	51	-1.0	-48.69	402.72	4.64	-44.05
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008144746	0	47	-1.0	-51.93	395.29	2.93	-49.00
CCC1=NOC2=NC=C(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])C=C12	REAL300008144747	0	46	-1.0	-47.53	386.07	2.14	-45.39
CN1N=CC2=CC(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])=CN=C21	REAL300008144748	0	44	-1.0	-47.91	374.85	3.35	-44.56
CCC1=CC(CC)=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C(CC)=C1	REAL300008144749	0	57	-1.0	-56.19	420.88	9.03	-47.16
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008144750	0	46	-1.0	-62.37	371.16	4.94	-57.43
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008144751	0	48	-1.0	-49.05	395.89	7.99	-41.06
COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C(C)=C1F	REAL300008144752	0	46	-1.0	-47.12	376.38	4.36	-42.76
CC1(CS(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])CCCCC1	REAL300008144753	0	51	-1.0	-57.35	379.42	5.63	-51.72
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008144754	0	48	-1.0	-55.80	383.12	5.92	-49.88
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008144755	0	47	-1.0	-50.29	399.95	5.50	-44.79
CN1N=NC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144756	0	38	-1.0	-43.81	322.05	1.08	-42.73
COCC1=CC(Cl)=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144757	0	46	-1.0	-45.42	401.96	4.48	-40.94
CC1=CC=C(CS(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C(F)=C1	REAL300008144758	0	45	-1.0	-60.88	377.05	5.92	-54.96
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008144760	0	39	-1.0	-42.11	360.83	4.38	-37.73
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008144761	0	52	-1.0	-56.96	415.08	7.81	-49.15
CC(C)(C)C1=CC(CS(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=NO1	REAL300008144762	0	50	-1.0	-46.49	407.63	4.87	-41.62
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1CCC1	REAL300008144763	0	45	-1.0	-55.81	359.81	5.07	-50.74
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008144764	0	48	-1.0	-66.02	387.37	1.69	-64.33
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008144765	0	42	-1.0	-53.19	362.72	4.96	-48.23
CC1=C(CCS(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])SC=N1	REAL300008144766	0	44	-1.0	-55.46	375.70	3.73	-51.73
COCC1(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300008144767	0	43	-1.0	-46.50	353.47	3.02	-43.48
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC12CCC(CC1)C2	REAL300008144768	0	49	-1.0	-57.76	374.68	5.91	-51.85
COC1=CC=C2C=C(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])CCC2=C1	REAL300008144769	0	51	-1.0	-55.62	406.83	6.10	-49.52
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1CCOC1	REAL300008144770	0	46	-1.0	-57.10	365.87	3.00	-54.10
CC(C)(CCS(=O)(=O)NC(CC1CCCCO1)C(=O)[O-])S(C)(=O)=O	REAL300008144771	0	50	-1.0	-63.21	393.28	1.81	-61.40
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1CCCCC1(F)F	REAL300008144772	0	48	-1.0	-49.15	382.86	5.35	-43.80
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008144773	0	46	-1.0	-56.05	376.65	6.67	-49.38
CN1C=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=N1	REAL300008144774	0	39	-1.0	-59.99	330.37	2.25	-57.74
CCC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008144775	0	47	-1.0	-59.97	386.41	6.22	-53.75
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008144776	0	39	-1.0	-42.53	344.99	4.70	-37.83
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008144777	0	39	-1.0	-42.53	349.55	4.80	-37.73
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008144778	0	41	-1.0	-42.47	358.74	4.88	-37.59
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008144779	0	45	-1.0	-56.09	369.90	6.65	-49.44
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008144780	0	41	-1.0	-51.15	352.46	5.03	-46.12
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144781	0	44	-1.0	-44.81	370.13	5.70	-39.11
COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144782	0	43	-1.0	-47.61	360.00	3.52	-44.09
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008144783	0	41	-1.0	-52.10	345.79	5.74	-46.36
CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144784	0	42	-1.0	-55.92	345.59	5.07	-50.85
CCOC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144785	0	46	-1.0	-45.74	379.59	4.40	-41.34
CC1=CC(C)=C(C)C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1C	REAL300008144786	0	51	-1.0	-55.42	378.85	6.78	-48.64
CC1=CC(C)=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C(C)=C1	REAL300008144787	0	48	-1.0	-56.53	375.79	6.27	-50.26
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144788	0	54	-1.0	-46.88	418.11	7.35	-39.53
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008144789	0	42	-1.0	-51.30	361.10	5.34	-45.96
CC1=CC=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144790	0	42	-1.0	-55.93	345.65	5.05	-50.88
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C=CC1=CC=CC=C1	REAL300008144791	0	43	-1.0	-49.14	360.16	5.37	-43.77
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008144792	0	42	-1.0	-46.41	350.21	5.60	-40.81
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008144793	0	39	-1.0	-51.77	340.73	4.93	-46.84
CC(=O)C1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144794	0	44	-1.0	-45.75	370.29	5.03	-40.72
CC1=CC=C(C)C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144795	0	45	-1.0	-45.52	360.80	5.63	-39.89
CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1C	REAL300008144796	0	45	-1.0	-56.60	362.67	5.59	-51.01
CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C(C)=C1	REAL300008144797	0	45	-1.0	-46.47	364.07	5.73	-40.74
COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008144798	0	45	-1.0	-52.24	386.02	4.96	-47.28
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144799	0	51	-1.0	-46.47	404.46	6.50	-39.97
CC(C)C1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144800	0	48	-1.0	-47.38	390.74	6.15	-41.23
CCCC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144801	0	48	-1.0	-46.35	392.65	6.40	-39.95
COC1=CC=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144802	0	43	-1.0	-46.79	340.64	4.30	-42.49
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1=CC=CC=C1	REAL300008144803	0	42	-1.0	-46.51	351.69	4.91	-41.60
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008144804	0	43	-1.0	-42.90	376.50	4.01	-38.89
CC1=C(C)C(C)=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C(C)=C1C	REAL300008144805	0	54	-1.0	-49.36	404.54	7.33	-42.03
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008144806	0	48	-1.0	-54.38	382.14	4.17	-50.21
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144807	0	55	-1.0	-47.05	416.67	6.62	-40.43
CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008144808	0	44	-1.0	-44.30	372.48	5.37	-38.93
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144809	0	57	-1.0	-46.72	432.08	8.09	-38.63
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008144810	0	42	-1.0	-50.96	362.93	5.40	-45.56
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008144811	0	49	-1.0	-55.66	386.97	6.87	-48.79
COC1=CC=C(OC)C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144812	0	47	-1.0	-47.39	371.70	3.31	-44.08
COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1OC	REAL300008144813	0	47	-1.0	-48.59	389.23	3.42	-45.17
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008144814	0	46	-1.0	-56.70	369.77	6.30	-50.40
CC1=NOC(C)=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144815	0	41	-1.0	-46.72	343.59	3.18	-43.54
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008144816	0	47	-1.0	-55.63	376.89	6.84	-48.79
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008144817	0	44	-1.0	-54.90	360.14	4.22	-50.68
CC(C)CCC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144818	0	54	-1.0	-46.60	431.71	7.69	-38.91
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144819	0	44	-1.0	-52.22	384.69	-0.83	-53.05
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1C	REAL300008144820	0	47	-1.0	-45.30	388.06	6.26	-39.04
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)N1CCCCCC1	REAL300008144821	0	47	-1.0	-42.40	359.39	4.71	-37.69
CC1=CC2=CC=CC(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])=C2N=C1	REAL300008144822	0	47	-1.0	-54.06	375.65	5.94	-48.12
COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008144823	0	45	-1.0	-50.14	371.59	4.88	-45.26
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144824	0	43	-1.0	-43.50	357.41	4.84	-38.66
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144825	0	44	-1.0	-51.38	382.44	-0.86	-52.24
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)N1CCCCC1	REAL300008144826	0	44	-1.0	-44.19	342.46	4.01	-40.18
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)N1CCCC1	REAL300008144827	0	41	-1.0	-43.69	330.22	2.98	-40.71
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008144828	0	48	-1.0	-45.30	385.86	5.94	-39.36
CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C2=CC=CN=C12	REAL300008144829	0	47	-1.0	-49.27	381.27	5.32	-43.95
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1C	REAL300008144830	0	47	-1.0	-52.56	384.44	6.92	-45.64
CC1CCN(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300008144831	0	47	-1.0	-55.23	365.63	3.81	-51.42
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008144832	0	51	-1.0	-57.60	411.70	3.78	-53.82
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144833	0	45	-1.0	-58.07	383.48	1.96	-56.11
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008144834	0	49	-1.0	-49.76	393.07	8.04	-41.72
CC1CC(C)CN(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300008144835	0	50	-1.0	-43.34	384.07	5.18	-38.16
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008144836	0	45	-1.0	-50.87	371.10	6.58	-44.29
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008144837	0	49	-1.0	-49.45	404.69	7.62	-41.83
CC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144838	0	42	-1.0	-43.46	345.80	5.03	-38.43
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008144839	0	40	-1.0	-50.56	341.71	2.59	-47.97
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144840	0	43	-1.0	-43.09	357.34	4.84	-38.25
COC1=CC=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144841	0	43	-1.0	-54.93	353.50	3.71	-51.22
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144842	0	54	-1.0	-47.63	420.95	7.00	-40.63
CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1Cl	REAL300008144843	0	42	-1.0	-55.52	359.70	5.48	-50.04
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144844	0	49	-1.0	-46.98	399.77	5.06	-41.92
CCC1=CC=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144845	0	45	-1.0	-45.71	358.87	5.92	-39.79
CC1=CC=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144846	0	42	-1.0	-44.91	339.57	4.96	-39.95
CC1=NC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=CN1C	REAL300008144847	0	42	-1.0	-53.86	352.24	3.52	-50.34
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008144848	0	40	-1.0	-54.50	334.28	3.31	-51.19
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008144849	0	44	-1.0	-53.01	353.57	5.22	-47.79
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144850	0	45	-1.0	-42.09	368.90	4.99	-37.10
COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1F	REAL300008144851	0	43	-1.0	-51.66	359.94	3.76	-47.90
CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1F	REAL300008144852	0	42	-1.0	-55.75	350.72	5.11	-50.64
CN1C=NC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144853	0	39	-1.0	-65.09	330.82	3.52	-61.57
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CN=C1	REAL300008144854	0	38	-1.0	-45.76	325.48	2.43	-43.33
CC1CCCCN1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144855	0	47	-1.0	-56.00	356.90	4.11	-51.89
CC(C)N(C)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144856	0	43	-1.0	-38.69	310.02	4.28	-34.41
CCCN(CCC)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144857	0	49	-1.0	-55.35	376.40	4.35	-51.00
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008144858	0	42	-1.0	-43.07	384.75	5.86	-37.21
COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C2=CC=CC=C12	REAL300008144859	0	49	-1.0	-49.89	394.73	5.75	-44.14
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144860	0	44	-1.0	-52.30	365.35	5.45	-46.85
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144861	0	44	-1.0	-45.82	365.62	5.43	-40.39
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144862	0	47	-1.0	-44.66	387.36	6.59	-38.07
CC(C)CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144863	0	51	-1.0	-46.93	411.66	6.91	-40.02
COCCC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144864	0	49	-1.0	-45.35	404.82	4.69	-40.66
COCCN(CCOC)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144865	0	51	-1.0	-54.21	391.53	1.63	-52.58
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144866	0	42	-1.0	-43.00	356.10	5.48	-37.52
COC1=C(C)C=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1C	REAL300008144867	0	49	-1.0	-48.99	404.09	5.10	-43.89
CC(C)CCOC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144868	0	55	-1.0	-46.58	442.43	6.55	-40.03
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008144869	0	53	-1.0	-46.89	425.15	6.44	-40.45
CC(C)COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144870	0	52	-1.0	-45.23	422.00	6.33	-38.90
CCCOC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144871	0	49	-1.0	-46.63	403.36	5.24	-41.39
COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1Cl	REAL300008144872	0	43	-1.0	-51.72	369.74	4.25	-47.47
COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1C	REAL300008144873	0	46	-1.0	-54.08	373.55	4.44	-49.64
CC1=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=CC=C1OC(C)C	REAL300008144874	0	52	-1.0	-53.95	413.57	5.98	-47.97
COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C(C)=C1	REAL300008144875	0	46	-1.0	-45.75	368.41	4.25	-41.50
COCCOC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144876	0	50	-1.0	-46.23	413.67	4.12	-42.11
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1=CC=CC=C1F	REAL300008144877	0	42	-1.0	-57.46	355.41	5.26	-52.20
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1C	REAL300008144878	0	47	-1.0	-52.30	379.04	7.08	-45.22
CC1=NC(C)=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300008144879	0	41	-1.0	-46.61	354.77	2.82	-43.79
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008144880	0	42	-1.0	-46.46	361.96	5.43	-41.03
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1CCCC1	REAL300008144881	0	45	-1.0	-56.67	353.54	4.92	-51.75
COC1=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=CC=C1F	REAL300008144882	0	43	-1.0	-44.17	363.97	3.55	-40.62
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CSC=C1	REAL300008144883	0	36	-1.0	-53.66	316.33	3.39	-50.27
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008144884	0	49	-1.0	-55.54	398.45	7.79	-47.75
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008144885	0	42	-1.0	-54.51	383.55	6.24	-48.27
CNC(=O)C1=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=CN1C	REAL300008144886	0	47	-1.0	-55.41	390.18	2.08	-53.33
COC1=CC(C)=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C(C)=C1	REAL300008144887	0	49	-1.0	-54.70	376.06	5.11	-49.59
COC1=CC(C)=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1C	REAL300008144888	0	49	-1.0	-46.01	389.50	5.02	-40.99
CC1=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008144889	0	47	-1.0	-50.34	375.96	5.40	-44.94
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008144890	0	44	-1.0	-50.56	366.62	4.78	-45.78
CCN1C=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008144891	0	44	-1.0	-53.48	376.39	4.75	-48.73
CCC(=O)C1=CC=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144892	0	47	-1.0	-50.67	391.33	5.45	-45.22
CN(C1CC1)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144893	0	41	-1.0	-42.90	328.73	2.75	-40.15
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008144894	0	49	-1.0	-52.62	412.16	5.97	-46.65
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008144895	0	42	-1.0	-63.46	355.17	3.31	-60.15
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144896	0	61	-1.0	-56.13	452.96	7.17	-48.96
CC1=CC=CC(CS(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144897	0	45	-1.0	-47.56	374.24	5.56	-42.00
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008144898	0	42	-1.0	-58.07	356.50	5.29	-52.78
CC1=CC=CC=C1CS(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144899	0	45	-1.0	-46.36	365.32	5.43	-40.93
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144900	0	49	-1.0	-47.49	383.94	5.53	-41.96
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008144901	0	44	-1.0	-50.81	376.53	4.36	-46.45
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008144902	0	46	-1.0	-51.29	388.81	5.31	-45.98
CCCCCOC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144903	0	55	-1.0	-45.36	444.09	6.77	-38.59
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008144904	0	49	-1.0	-57.31	375.00	6.82	-50.49
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300008144905	0	44	-1.0	-47.46	366.47	3.51	-43.95
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008144906	0	47	-1.0	-62.95	390.22	5.76	-57.19
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008144907	0	44	-1.0	-45.46	376.51	4.35	-41.11
CCOC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C(C)=C1	REAL300008144908	0	49	-1.0	-45.69	390.27	5.18	-40.51
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008144909	0	43	-1.0	-45.76	347.70	4.48	-41.28
CSC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144910	0	43	-1.0	-46.26	368.45	5.20	-41.06
CCCCCCCS(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144911	0	50	-1.0	-55.99	397.91	6.09	-49.90
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008144912	0	45	-1.0	-46.14	391.90	5.91	-40.23
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144913	0	50	-1.0	-56.29	388.78	5.93	-50.36
CCN1C=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])N=C1C	REAL300008144914	0	45	-1.0	-61.59	370.72	4.72	-56.87
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008144915	0	45	-1.0	-50.71	372.78	3.86	-46.85
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008144916	0	44	-1.0	-48.42	361.22	4.50	-43.92
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1CCCO1	REAL300008144917	0	43	-1.0	-60.22	349.04	2.44	-57.78
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1CCCCO1	REAL300008144918	0	46	-1.0	-45.98	363.68	3.16	-42.82
CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1C(F)(F)F	REAL300008144919	0	45	-1.0	-56.23	378.67	5.90	-50.33
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008144920	0	48	-1.0	-57.87	388.71	5.98	-51.89
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])C=C12	REAL300008144921	0	47	-1.0	-50.85	391.34	4.13	-46.72
COCC1=CC=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144922	0	46	-1.0	-56.38	379.07	4.11	-52.27
CC1(C)CC2=CC=CC(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])=C2O1	REAL300008144923	0	50	-1.0	-50.80	390.58	5.90	-44.90
CCN1C=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300008144924	0	42	-1.0	-56.66	352.50	2.97	-53.69
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300008144925	0	42	-1.0	-56.29	363.49	5.69	-50.60
CC(C1CC1)N(C)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144926	0	47	-1.0	-44.06	371.55	5.17	-38.89
CN1N=CC=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144927	0	39	-1.0	-46.46	329.09	1.87	-44.59
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008144928	0	42	-1.0	-48.66	376.46	5.75	-42.91
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1CCOC1	REAL300008144929	0	43	-1.0	-57.56	344.89	2.34	-55.22
CC1CC2=CC(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])=CC=C2O1	REAL300008144930	0	47	-1.0	-54.03	380.93	4.99	-49.04
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144931	0	51	-1.0	-53.92	374.41	7.26	-46.66
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008144932	0	45	-1.0	-57.76	385.27	5.47	-52.29
CCCCCS(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144933	0	44	-1.0	-55.64	354.67	4.55	-51.09
COCCN(C)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144934	0	44	-1.0	-54.42	350.20	1.58	-52.84
CN(CC1CC1)S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144935	0	44	-1.0	-44.18	359.82	3.90	-40.28
CC1=NC(C2=CC=C(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])C=C2)=CO1	REAL300008144936	0	48	-1.0	-56.36	400.58	3.46	-52.90
CN1C=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300008144937	0	42	-1.0	-48.27	363.55	2.95	-45.32
CC1=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C(C)O1	REAL300008144938	0	42	-1.0	-46.50	349.42	3.62	-42.88
CC1=CSC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144939	0	39	-1.0	-46.28	344.08	3.87	-42.41
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008144940	0	42	-1.0	-57.31	356.31	4.89	-52.42
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008144941	0	42	-1.0	-46.34	354.29	2.84	-43.50
COC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300008144942	0	42	-1.0	-52.29	351.50	1.05	-51.24
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CO1	REAL300008144943	0	36	-1.0	-55.96	309.48	2.49	-53.47
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CN=C2CCCN12	REAL300008144944	0	43	-1.0	-57.12	345.14	3.51	-53.61
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=COC=C1	REAL300008144945	0	36	-1.0	-53.15	308.34	2.36	-50.79
CC1=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])SC=C1	REAL300008144946	0	39	-1.0	-44.29	328.47	3.50	-40.79
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008144947	0	47	-1.0	-55.52	377.68	5.02	-50.50
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CNC=N1	REAL300008144948	0	36	-1.0	-49.41	310.01	2.01	-47.40
CC1=CC=C(N2C=C(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])C=N2)C=C1	REAL300008144949	0	49	-1.0	-52.31	407.91	6.20	-46.11
CC1=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008144950	0	44	-1.0	-49.74	368.46	5.57	-44.17
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCCCF	REAL300008144951	0	41	-1.0	-55.87	339.77	3.91	-51.96
CC1=NN(C)C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144952	0	42	-1.0	-49.68	354.04	2.55	-47.13
CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])O1	REAL300008144953	0	39	-1.0	-55.85	331.13	3.33	-52.52
CC1=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])N(C)N=C1	REAL300008144954	0	42	-1.0	-45.56	343.57	2.66	-42.90
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008144955	0	41	-1.0	-52.04	356.80	3.90	-48.14
CN(C)C1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144956	0	47	-1.0	-49.75	383.01	4.63	-45.12
CC1=CC2=CC=C(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])C=C2C=C1	REAL300008144957	0	48	-1.0	-56.17	391.50	7.30	-48.87
COC1=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])SC=C1	REAL300008144958	0	40	-1.0	-50.34	350.82	3.25	-47.09
C=CCCCS(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144959	0	42	-1.0	-55.87	345.99	4.33	-51.54
CN(C)C1=CC=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144960	0	47	-1.0	-56.32	373.61	4.67	-51.65
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1CCC1	REAL300008144961	0	42	-1.0	-44.41	341.15	3.96	-40.45
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008144962	0	44	-1.0	-50.72	353.76	4.69	-46.03
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008144963	0	44	-1.0	-62.43	373.58	4.55	-57.88
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008144964	0	44	-1.0	-54.92	359.76	4.25	-50.67
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008144965	0	45	-1.0	-55.13	388.56	6.51	-48.62
CN1CCCC2=CC=C(S(=O)(=O)NC(CC3CCCCO3)C(=O)[O-])C=C21	REAL300008144966	0	51	-1.0	-51.14	404.72	4.77	-46.37
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008144967	0	41	-1.0	-50.69	358.83	3.61	-47.08
COC1=CC=CC(OC)=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144968	0	47	-1.0	-54.32	383.70	4.76	-49.56
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144969	0	47	-1.0	-44.76	384.55	6.15	-38.61
CC1=CC=C(C)C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1[N+](=O)[O-]	REAL300008144970	0	47	-1.0	-50.16	383.74	7.13	-43.03
CC1=CC(C)=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008144971	0	47	-1.0	-46.24	387.04	6.11	-40.13
COC1=CC=C(CCS(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300008144972	0	49	-1.0	-56.57	401.34	5.29	-51.28
COC1=CN=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144973	0	42	-1.0	-53.10	348.92	1.85	-51.25
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300008144974	0	48	-1.0	-47.01	401.24	5.84	-41.17
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008144975	0	46	-1.0	-46.35	377.47	6.28	-40.07
COC1=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=CC(OC)=C1	REAL300008144976	0	47	-1.0	-50.73	389.14	2.85	-47.88
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1CCCCC1	REAL300008144977	0	51	-1.0	-55.50	392.26	6.19	-49.31
CC1=CC2=C(C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-])OCO2	REAL300008144978	0	45	-1.0	-44.99	365.98	3.64	-41.35
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008144979	0	42	-1.0	-50.89	345.44	4.36	-46.53
COC1=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=CC=C1Cl	REAL300008144980	0	43	-1.0	-44.85	376.03	4.07	-40.78
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CCC1CCCC1	REAL300008144981	0	48	-1.0	-55.48	376.79	5.63	-49.85
CC1=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008144982	0	47	-1.0	-62.72	371.96	5.97	-56.75
CCC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1CC	REAL300008144983	0	51	-1.0	-55.57	392.92	6.69	-48.88
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144984	0	47	-1.0	-49.50	382.36	6.30	-43.20
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144985	0	49	-1.0	-57.90	382.35	5.99	-51.91
CC1=C(C)SC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300008144986	0	42	-1.0	-47.93	363.46	4.60	-43.33
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300008144987	0	40	-1.0	-43.33	348.32	1.75	-41.58
CC1=NC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300008144988	0	38	-1.0	-53.27	338.94	2.01	-51.26
CCC1=NC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300008144989	0	41	-1.0	-45.66	360.52	2.80	-42.86
CC1=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C(N)=NO1	REAL300008144990	0	40	-1.0	-49.95	328.06	1.71	-48.24
CN(C)C1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300008144991	0	46	-1.0	-53.99	374.75	4.11	-49.88
CC1=CC(C)=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300008144992	0	42	-1.0	-57.41	351.08	5.06	-52.35
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008144993	0	45	-1.0	-50.90	373.17	5.97	-44.93
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008144994	0	42	-1.0	-49.76	354.69	3.23	-46.53
CC1=CC(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])=CC(C)=C1F	REAL300008144995	0	45	-1.0	-43.94	375.28	5.52	-38.42
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008144996	0	46	-1.0	-56.49	380.21	4.12	-52.37
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008144997	0	41	-1.0	-50.76	347.38	4.03	-46.73
CC1=CC=C(S(=O)(=O)NC(CC2CCCCO2)C(=O)[O-])C=N1	REAL300008144998	0	41	-1.0	-55.44	340.95	3.18	-52.26
COC(CS(=O)(=O)NC(CC1CCCCO1)C(=O)[O-])C1CC1	REAL300008144999	0	46	-1.0	-58.68	367.18	4.27	-54.41
O=C([O-])C(CC1CCCCO1)NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008145000	0	42	-1.0	-55.73	366.96	5.72	-50.01
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156881	0	36	-1.0	-57.02	296.12	4.00	-53.02
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156882	0	43	-1.0	-61.11	367.69	4.38	-56.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300008156883	0	43	-1.0	-57.28	364.36	1.75	-55.53
O=C([O-])C[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C1CC1	REAL300008156884	0	50	-1.0	-54.41	361.70	5.79	-48.62
CC1=NC2=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=CC=C2C=C1	REAL300008156885	0	40	-1.0	-63.67	319.82	5.56	-58.11
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300008156886	0	40	-1.0	-65.28	340.91	6.28	-59.00
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C1CC1	REAL300008156887	0	43	-1.0	-55.44	348.32	3.28	-52.16
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156888	0	46	-1.0	-61.29	377.79	5.01	-56.28
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156889	0	46	-1.0	-60.91	394.85	5.51	-55.40
CCCN1C=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156890	0	38	-1.0	-62.68	319.02	5.52	-57.16
CC(COC1CCCC1)CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156891	0	48	-1.0	-57.80	376.81	5.73	-52.07
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156892	0	39	-1.0	-52.70	340.39	5.09	-47.61
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1CC1	REAL300008156893	0	40	-1.0	-52.86	329.95	2.51	-50.35
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156894	0	36	-1.0	-53.02	322.24	4.73	-48.29
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C1CC1	REAL300008156895	0	36	-1.0	-52.06	301.73	4.12	-47.94
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300008156896	0	38	-1.0	-50.71	326.96	5.55	-45.16
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156897	0	38	-1.0	-50.64	330.70	6.14	-44.50
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156898	0	38	-1.0	-54.87	330.82	6.19	-48.68
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1C(F)(F)F	REAL300008156899	0	38	-1.0	-50.94	325.86	6.32	-44.62
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156900	0	41	-1.0	-56.51	328.92	6.28	-50.23
CCOC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156901	0	39	-1.0	-55.26	320.16	5.27	-49.99
COCCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300008156902	0	39	-1.0	-52.89	331.64	2.37	-50.52
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C1CC1	REAL300008156903	0	39	-1.0	-59.20	335.80	5.35	-53.85
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C	REAL300008156904	0	59	-1.0	-53.20	465.75	8.92	-44.28
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300008156905	0	40	-1.0	-58.34	349.46	6.54	-51.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C1CC1	REAL300008156906	0	37	-1.0	-55.68	313.41	5.07	-50.61
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C1CC1	REAL300008156907	0	35	-1.0	-57.76	321.03	5.70	-52.06
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C1CC1	REAL300008156908	0	35	-1.0	-56.51	316.53	5.65	-50.86
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C1CC1	REAL300008156909	0	39	-1.0	-67.36	336.73	2.66	-64.70
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156910	0	35	-1.0	-53.98	314.83	6.06	-47.92
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156911	0	35	-1.0	-51.79	309.64	5.70	-46.09
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156912	0	39	-1.0	-53.20	323.42	4.37	-48.83
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Br	REAL300008156913	0	36	-1.0	-51.25	321.37	4.78	-46.47
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300008156914	0	40	-1.0	-56.83	335.19	3.80	-53.03
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1CC1	REAL300008156915	0	35	-1.0	-58.58	315.81	3.80	-54.78
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1CC1	REAL300008156916	0	35	-1.0	-56.31	310.93	3.57	-52.74
CC1(C)CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C2O1	REAL300008156917	0	43	-1.0	-54.34	348.90	6.05	-48.29
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C1CC1	REAL300008156918	0	35	-1.0	-57.59	307.61	3.21	-54.38
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008156919	0	44	-1.0	-57.87	375.11	4.02	-53.85
CSC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156920	0	36	-1.0	-58.49	313.06	5.37	-53.12
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300008156921	0	40	-1.0	-57.41	351.08	1.55	-55.86
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156922	0	43	-1.0	-62.69	344.82	3.88	-58.81
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300008156923	0	43	-1.0	-56.46	372.54	2.44	-54.02
CCC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008156924	0	41	-1.0	-57.65	342.64	6.53	-51.12
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CS1)C1CC1	REAL300008156925	0	35	-1.0	-55.53	311.47	4.96	-50.57
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C1CC1	REAL300008156926	0	47	-1.0	-57.37	385.20	5.24	-52.13
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C1CC1	REAL300008156927	0	44	-1.0	-56.36	368.22	4.32	-52.04
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156928	0	41	-1.0	-59.25	353.60	3.22	-56.03
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156929	0	42	-1.0	-66.33	350.43	1.45	-64.88
CC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300008156930	0	41	-1.0	-58.21	338.15	6.29	-51.92
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300008156931	0	39	-1.0	-52.39	343.21	5.69	-46.70
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C1=CC=CC=C1	REAL300008156932	0	46	-1.0	-57.59	379.63	7.86	-49.73
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COC1=CC=C(Br)C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008156934	0	39	-1.0	-57.52	345.92	4.95	-52.57
CC1(C)CN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CCO1	REAL300008156935	0	41	-1.0	-42.18	326.28	2.73	-39.45
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2S1	REAL300008156936	0	46	-1.0	-53.67	385.12	6.73	-46.94
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156937	0	39	-1.0	-56.71	329.18	5.11	-51.60
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300008156938	0	44	-1.0	-54.95	362.86	6.31	-48.64
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156939	0	39	-1.0	-61.33	339.84	-0.88	-62.21
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)OC2=CC=C(F)C=C12	REAL300008156940	0	38	-1.0	-54.89	324.89	6.14	-48.75
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CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC(Cl)=CC=C2S1	REAL300008156942	0	38	-1.0	-55.37	346.11	7.18	-48.19
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CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1N(C)C	REAL300008156951	0	43	-1.0	-55.89	346.35	5.46	-50.43
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CSC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300008156957	0	36	-1.0	-52.12	326.66	6.28	-45.84
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008156958	0	44	-1.0	-52.75	350.76	4.75	-48.00
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CN1N=CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CN=C21	REAL300008156962	0	37	-1.0	-52.24	316.42	3.89	-48.35
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CC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CCCCC1	REAL300008156969	0	44	-1.0	-56.75	325.81	5.87	-50.88
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CC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300008156974	0	38	-1.0	-58.11	326.46	5.79	-52.32
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CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008156996	0	39	-1.0	-54.00	322.78	5.03	-48.97
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C	REAL300008156997	0	44	-1.0	-53.10	339.04	6.99	-46.11
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1	REAL300008156998	0	41	-1.0	-52.96	325.04	7.01	-45.95
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC	REAL300008164976	0	35	-1.0	-58.93	293.47	4.03	-54.90
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300008164977	0	36	-1.0	-40.40	323.10	5.46	-34.94
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300008164978	0	42	-1.0	-45.47	342.29	4.05	-41.42
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300008164979	0	42	-1.0	-44.39	358.40	0.54	-43.85
CC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008164980	0	49	-1.0	-40.86	353.85	5.43	-35.43
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300008164981	0	39	-1.0	-48.47	314.52	5.47	-43.00
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008164982	0	39	-1.0	-47.21	323.69	5.70	-41.51
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008164983	0	42	-1.0	-43.08	338.33	2.24	-40.84
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300008164984	0	45	-1.0	-43.00	375.28	5.09	-37.91
CCC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300008164985	0	45	-1.0	-41.79	375.82	5.28	-36.51
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CCOCCOCCOC	REAL300008164986	0	45	-1.0	-47.89	373.88	0.79	-47.10
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CC(C)COC1CCCC1	REAL300008164987	0	47	-1.0	-39.86	365.96	4.85	-35.01
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300008164988	0	46	-1.0	-42.15	371.39	5.21	-36.94
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300008164989	0	38	-1.0	-40.84	328.98	4.05	-36.79
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008164990	0	39	-1.0	-43.66	319.17	1.45	-42.21
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300008164991	0	35	-1.0	-42.11	317.97	3.37	-38.74
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008164992	0	35	-1.0	-43.37	297.55	4.10	-39.27
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300008164993	0	37	-1.0	-42.65	322.70	4.21	-38.44
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300008164994	0	37	-1.0	-37.70	312.18	5.53	-32.17
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300008164995	0	37	-1.0	-37.03	311.74	5.51	-31.52
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300008164996	0	37	-1.0	-40.23	321.65	4.98	-35.25
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCN1CCOCC1	REAL300008164997	0	43	-1.0	-40.38	332.76	0.75	-39.63
CCOC1=CC=CC(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])=C1	REAL300008164998	0	38	-1.0	-45.85	318.57	3.69	-42.16
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CCOC)N=C1	REAL300008164999	0	38	-1.0	-43.48	327.77	1.06	-42.42
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008165000	0	38	-1.0	-47.62	331.58	4.01	-43.61
COC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186599	0	38	-1.0	-43.94	305.05	3.50	-40.44
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186600	0	45	-1.0	-63.43	358.52	4.23	-59.20
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C	REAL300008186601	0	45	-1.0	-47.90	358.35	0.63	-47.27
CC1=NC2=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300008186602	0	42	-1.0	-51.61	335.68	5.25	-46.36
CC(C)C(C)(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008186603	0	42	-1.0	-50.42	333.26	5.69	-44.73
CC(C)C(C)(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008186604	0	45	-1.0	-55.86	344.15	2.37	-53.49
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186605	0	48	-1.0	-45.27	393.18	4.57	-40.70
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186606	0	48	-1.0	-61.11	386.25	5.20	-55.91
CCCN1C=NC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186607	0	40	-1.0	-58.83	317.19	5.31	-53.52
CC(COC1CCCC1)CS(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186608	0	50	-1.0	-58.76	369.57	5.54	-53.22
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186609	0	41	-1.0	-38.80	328.89	3.92	-34.88
CC(C)C(C)(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008186610	0	42	-1.0	-41.19	324.87	1.27	-39.92
COC1=CC(Br)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186611	0	38	-1.0	-40.91	316.58	3.51	-37.40
CC(C)C(C)(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008186612	0	38	-1.0	-43.41	314.78	3.78	-39.63
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300008186613	0	40	-1.0	-39.66	322.24	4.37	-35.29
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186614	0	40	-1.0	-52.89	322.29	5.86	-47.03
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186615	0	40	-1.0	-58.41	322.17	5.83	-52.58
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300008186616	0	40	-1.0	-36.47	316.56	5.19	-31.28
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186617	0	43	-1.0	-58.45	323.17	6.22	-52.23
CCOC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186618	0	41	-1.0	-55.03	319.06	4.33	-50.70
COCCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=N1	REAL300008186619	0	41	-1.0	-52.51	326.77	1.45	-51.06
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008186620	0	41	-1.0	-50.03	331.45	4.15	-45.88
CC(C)C(C)(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008186621	0	42	-1.0	-40.02	341.46	5.88	-34.14
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008186622	0	39	-1.0	-56.88	308.10	4.18	-52.70
CC(C)C(C)(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008186623	0	37	-1.0	-40.48	312.92	5.10	-35.38
CC(C)C(C)(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008186624	0	37	-1.0	-57.21	309.70	5.41	-51.80
CC(C)C(C)(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008186625	0	41	-1.0	-53.51	330.29	1.49	-52.02
CC1=CC(Br)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186626	0	37	-1.0	-38.45	303.37	4.89	-33.56
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186627	0	37	-1.0	-38.79	299.78	5.01	-33.78
COCC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186628	0	41	-1.0	-41.67	313.91	3.73	-37.94
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CC=C1Br	REAL300008186629	0	38	-1.0	-39.42	316.65	3.60	-35.82
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1Cl	REAL300008186630	0	42	-1.0	-44.30	344.24	3.63	-40.67
CC(C)C(C)(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008186631	0	37	-1.0	-53.49	310.96	2.90	-50.59
CC(C)C(C)(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008186632	0	37	-1.0	-46.63	309.18	2.45	-44.18
CC(C)C(C)(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008186633	0	45	-1.0	-42.85	343.21	4.84	-38.01
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008186634	0	37	-1.0	-43.29	315.55	2.96	-40.33
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186635	0	46	-1.0	-48.55	364.38	2.83	-45.72
CSC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186636	0	38	-1.0	-42.80	307.10	4.82	-37.98
CC(C)C(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008186637	0	42	-1.0	-38.60	344.49	0.42	-38.18
CC(C)C(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008186638	0	45	-1.0	-68.19	349.51	4.02	-64.17
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1F	REAL300008186639	0	45	-1.0	-38.09	365.96	1.30	-36.79
CCC1=CC=C(CS(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186640	0	43	-1.0	-42.01	334.62	5.87	-36.14
CC(C)C(C)(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300008186641	0	37	-1.0	-56.93	304.56	4.74	-52.19
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008186642	0	49	-1.0	-44.01	380.56	4.13	-39.88
CC(C)C(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008186643	0	46	-1.0	-55.99	355.30	4.15	-51.84
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186644	0	43	-1.0	-49.93	348.99	2.11	-47.82
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186645	0	44	-1.0	-48.03	360.13	0.78	-47.25
CC1=CC=C(CS(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C	REAL300008186646	0	43	-1.0	-43.20	330.16	5.63	-37.57
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1Br	REAL300008186647	0	41	-1.0	-39.78	338.49	4.52	-35.26
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300008186648	0	48	-1.0	-47.21	375.54	6.69	-40.52
CC(C)C(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008186649	0	38	-1.0	-42.58	325.11	4.23	-38.35
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186650	0	41	-1.0	-49.49	338.76	4.33	-45.16
CC(C)C(C)(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008186651	0	48	-1.0	-44.27	378.73	5.55	-38.72
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186652	0	41	-1.0	-44.85	342.89	4.88	-39.97
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CC=C21	REAL300008186653	0	46	-1.0	-43.60	356.19	5.10	-38.50
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186654	0	41	-1.0	-61.54	333.48	-1.17	-62.71
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300008186655	0	40	-1.0	-44.01	323.89	5.04	-38.97
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008186656	0	37	-1.0	-40.48	322.99	5.62	-34.86
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300008186657	0	40	-1.0	-40.60	332.48	6.37	-34.23
CC(C)C(C)(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008186658	0	37	-1.0	-40.73	324.01	5.60	-35.13
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008186659	0	40	-1.0	-58.84	326.43	6.96	-51.88
CC(C)C(C)(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008186660	0	40	-1.0	-47.88	328.15	5.41	-42.47
CC(C)C(C)(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008186661	0	45	-1.0	-42.88	349.02	5.11	-37.77
CC(C)C(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008186662	0	48	-1.0	-43.26	387.56	7.10	-36.16
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008186663	0	47	-1.0	-46.52	373.19	5.17	-41.35
CC(C)C(C)(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008186664	0	45	-1.0	-43.93	367.99	0.78	-43.15
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300008186665	0	43	-1.0	-58.28	337.75	6.93	-51.35
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1N(C)C	REAL300008186666	0	45	-1.0	-46.07	342.04	4.28	-41.79
CC(C)C(C)(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008186667	0	40	-1.0	-41.78	329.43	5.66	-36.12
CC(C)C(C)(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008186668	0	39	-1.0	-60.18	306.74	0.97	-59.21
CC(C)C(C)(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008186669	0	47	-1.0	-54.65	353.81	4.63	-50.02
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1Cl	REAL300008186670	0	41	-1.0	-58.39	328.65	4.67	-53.72
CC(C)C(C)(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008186671	0	43	-1.0	-49.43	352.31	2.00	-47.43
CSC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1Cl	REAL300008186672	0	38	-1.0	-39.63	321.96	5.11	-34.52
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186673	0	46	-1.0	-52.47	344.28	4.41	-48.06
CC(C)C(C)(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008186674	0	42	-1.0	-44.73	336.92	2.15	-42.58
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C12	REAL300008186675	0	41	-1.0	-42.81	326.93	1.30	-41.51
CC(C)C(C)(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008186676	0	45	-1.0	-45.21	362.22	3.42	-41.79
CC(C)C(C)(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300008186677	0	39	-1.0	-45.55	311.48	2.74	-42.81
CCC1=CC(CC)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(CC)=C1	REAL300008186678	0	52	-1.0	-53.76	368.20	8.77	-44.99
CC(C)C(C)(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300008186679	0	41	-1.0	-51.97	317.19	4.03	-47.94
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008186680	0	40	-1.0	-37.83	334.39	1.63	-36.20
CC(C)C(C)(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008186681	0	43	-1.0	-68.40	335.36	7.86	-60.54
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(C)=C1F	REAL300008186682	0	41	-1.0	-42.34	323.06	3.86	-38.48
CC(C)C(C)(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300008186683	0	46	-1.0	-40.05	317.68	5.28	-34.77
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008186684	0	43	-1.0	-57.96	327.59	5.40	-52.56
CC(C)C(C)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008186686	0	42	-1.0	-45.13	335.28	4.78	-40.35
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186687	0	41	-1.0	-39.18	337.60	3.83	-35.35
CC1=CC=C(CS(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(F)=C1	REAL300008186688	0	40	-1.0	-58.44	319.56	5.57	-52.87
CC(C)C(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008186690	0	34	-1.0	-36.94	300.00	3.88	-33.06
CC(C)C(C)(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008186691	0	47	-1.0	-41.00	356.72	7.01	-33.99
CC(C)C(C)(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008186692	0	45	-1.0	-50.36	351.54	4.54	-45.82
CC(C)C(C)(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008186693	0	43	-1.0	-57.26	330.23	0.96	-56.30
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008186694	0	37	-1.0	-43.71	307.79	4.42	-39.29
CC1=C(CCS(=O)(=O)NC(C)(C(=O)[O-])C(C)C)SC=N1	REAL300008186695	0	39	-1.0	-41.27	316.64	2.98	-38.29
CC(C)C(C)(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300008186696	0	44	-1.0	-40.57	316.51	5.15	-35.42
COC1=CC=C2C=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)CCC2=C1	REAL300008186697	0	46	-1.0	-45.10	352.79	5.33	-39.77
CC(C)C(C)(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008186698	0	45	-1.0	-53.02	341.12	0.89	-52.13
CC(C)C(C)(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300008186699	0	43	-1.0	-61.28	318.75	5.54	-55.74
CC(C)C(C)(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300008186700	0	41	-1.0	-41.83	316.60	5.71	-36.12
CCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008186701	0	42	-1.0	-42.35	325.01	5.48	-36.87
CC(C)C(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008186702	0	34	-1.0	-43.38	284.86	4.16	-39.22
CC(C)C(C)(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008186703	0	34	-1.0	-43.22	289.43	4.27	-38.95
CC(C)C(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008186704	0	36	-1.0	-35.91	288.88	4.28	-31.63
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300008186705	0	40	-1.0	-44.16	311.49	5.89	-38.27
CC(C)C(C)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008186706	0	36	-1.0	-47.92	296.36	4.31	-43.61
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186707	0	39	-1.0	-42.18	314.29	5.17	-37.01
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186708	0	38	-1.0	-46.06	296.68	2.92	-43.14
CC(C)C(C)(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008186709	0	36	-1.0	-59.74	286.68	5.56	-54.18
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186710	0	41	-1.0	-44.32	342.57	4.81	-39.51
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186711	0	41	-1.0	-45.73	318.49	3.84	-41.89
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1C	REAL300008186712	0	46	-1.0	-55.44	329.71	6.88	-48.56
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(C)=C1	REAL300008186713	0	43	-1.0	-40.11	313.86	5.84	-34.27
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186714	0	49	-1.0	-43.64	365.98	6.91	-36.73
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008186715	0	37	-1.0	-37.77	304.74	4.62	-33.15
CC(C)C(C)(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008186716	0	37	-1.0	-40.46	290.47	5.13	-35.33
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008186717	0	34	-1.0	-36.74	278.87	4.19	-32.55
CC(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186718	0	39	-1.0	-48.20	309.84	4.09	-44.11
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008186719	0	40	-1.0	-48.04	323.65	4.39	-43.65
CC(C)C(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300008186720	0	46	-1.0	-45.68	343.40	5.94	-39.74
CC(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186721	0	43	-1.0	-41.42	326.01	5.54	-35.88
CC(C)C(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008186722	0	45	-1.0	-45.33	356.22	1.61	-43.72
CCCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186723	0	43	-1.0	-45.90	331.59	5.84	-40.06
COC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186724	0	38	-1.0	-45.61	303.42	3.71	-41.90
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1Br	REAL300008186725	0	38	-1.0	-39.82	316.71	3.65	-36.17
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CC=C1Br	REAL300008186726	0	37	-1.0	-38.65	305.28	4.79	-33.86
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C2)=C1	REAL300008186727	0	48	-1.0	-44.16	376.69	7.17	-36.99
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008186728	0	38	-1.0	-43.22	313.17	3.41	-39.81
CC1=C(C)C(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(C)=C1C	REAL300008186729	0	49	-1.0	-44.29	344.77	6.82	-37.47
CC(C)C(C)(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008186730	0	43	-1.0	-41.49	328.70	3.54	-37.95
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186731	0	50	-1.0	-45.77	374.83	5.79	-39.98
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008186732	0	39	-1.0	-42.13	306.45	4.81	-37.32
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186733	0	38	-1.0	-42.69	319.94	4.06	-38.63
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186734	0	52	-1.0	-43.07	375.43	7.55	-35.52
CC(C)C(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008186735	0	37	-1.0	-37.36	304.50	4.62	-32.74
CC(C)C(C)(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300008186736	0	44	-1.0	-42.94	328.50	6.08	-36.86
COC1=CC=C(OC)C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186737	0	42	-1.0	-49.19	328.90	2.55	-46.64
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1OC	REAL300008186738	0	42	-1.0	-43.22	325.53	2.90	-40.32
CC(C)C(C)(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300008186739	0	41	-1.0	-43.33	311.24	5.54	-37.79
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300008186740	0	42	-1.0	-45.45	321.32	6.00	-39.45
CC(C)C(C)(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008186741	0	39	-1.0	-43.33	301.71	3.46	-39.87
CC(C)CCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186742	0	49	-1.0	-39.41	364.17	7.12	-32.29
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1OCC	REAL300008186743	0	48	-1.0	-43.62	369.19	4.68	-38.94
CC(C)C(C)(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008186744	0	39	-1.0	-45.34	314.89	-1.42	-46.76
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1C	REAL300008186745	0	42	-1.0	-41.79	328.87	5.58	-36.21
CC1=CC2=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C2N=C1	REAL300008186746	0	42	-1.0	-63.25	331.10	5.38	-57.87
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300008186747	0	40	-1.0	-55.22	315.02	4.83	-50.39
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186748	0	38	-1.0	-40.62	315.61	4.38	-36.24
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008186749	0	39	-1.0	-46.32	320.93	-1.42	-47.74
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008186750	0	46	-1.0	-57.28	376.35	1.95	-55.33
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300008186751	0	42	-1.0	-56.58	324.97	5.38	-51.20
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C	REAL300008186752	0	42	-1.0	-58.69	325.03	6.80	-51.89
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008186753	0	45	-1.0	-46.54	362.42	1.69	-44.85
CC(C)C(C)(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008186754	0	46	-1.0	-51.21	353.02	2.90	-48.31
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008186755	0	40	-1.0	-51.22	326.40	1.14	-50.08
CC(C)C(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008186756	0	44	-1.0	-62.54	337.79	7.75	-54.79
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008186757	0	40	-1.0	-45.40	312.74	6.09	-39.31
CC(C)C(C)(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008186758	0	44	-1.0	-46.83	341.31	7.02	-39.81
CC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186759	0	37	-1.0	-40.97	292.48	4.56	-36.41
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008186760	0	48	-1.0	-46.02	368.64	5.97	-40.05
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008186761	0	35	-1.0	-44.20	295.69	1.97	-42.23
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186762	0	38	-1.0	-42.91	315.37	3.95	-38.96
COC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186763	0	38	-1.0	-55.55	296.83	3.40	-52.15
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186764	0	49	-1.0	-45.62	357.63	6.41	-39.21
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1Cl	REAL300008186765	0	37	-1.0	-40.64	302.16	4.72	-35.92
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186766	0	44	-1.0	-42.13	335.34	4.48	-37.65
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300008186767	0	35	-1.0	-43.11	287.50	2.22	-40.89
CC(C)C(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008186768	0	39	-1.0	-51.62	325.08	6.60	-45.02
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008186769	0	39	-1.0	-63.59	309.31	4.74	-58.85
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008186770	0	45	-1.0	-43.40	371.41	7.05	-36.35
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186771	0	40	-1.0	-39.02	325.60	4.34	-34.68
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1F	REAL300008186772	0	38	-1.0	-40.54	302.45	3.01	-37.53
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1F	REAL300008186773	0	37	-1.0	-41.77	293.42	4.33	-37.44
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008186774	0	45	-1.0	-40.34	370.98	6.93	-33.41
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C2)C=C1	REAL300008186775	0	49	-1.0	-41.92	384.38	5.74	-36.18
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300008186776	0	61	-1.0	-56.85	418.91	9.53	-47.32
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008186777	0	50	-1.0	-57.02	378.42	7.19	-49.83
CC(C)C(C)(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008186778	0	37	-1.0	-37.50	323.66	5.39	-32.11
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008186779	0	44	-1.0	-57.48	338.60	5.65	-51.83
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186780	0	39	-1.0	-38.09	316.69	5.18	-32.91
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186781	0	39	-1.0	-40.96	307.22	4.99	-35.97
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186782	0	42	-1.0	-62.54	328.70	6.60	-55.94
CC(C)CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186783	0	46	-1.0	-45.93	348.35	6.30	-39.63
COCCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186784	0	44	-1.0	-39.75	337.28	4.13	-35.62
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186785	0	37	-1.0	-39.93	302.80	5.02	-34.91
COC1=C(C)C=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C	REAL300008186786	0	44	-1.0	-43.25	338.94	4.51	-38.74
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186787	0	50	-1.0	-45.16	379.00	5.93	-39.23
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008186788	0	48	-1.0	-41.50	360.25	5.81	-35.69
CC(C)COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186789	0	47	-1.0	-41.13	358.71	5.32	-35.81
CCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186790	0	44	-1.0	-41.01	338.60	4.62	-36.39
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1Cl	REAL300008186791	0	38	-1.0	-39.86	312.32	3.55	-36.31
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300008186792	0	38	-1.0	-41.83	322.08	3.82	-38.01
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C	REAL300008186793	0	41	-1.0	-40.46	311.69	3.72	-36.74
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300008186794	0	47	-1.0	-45.39	357.33	5.22	-40.17
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(C)=C1	REAL300008186795	0	41	-1.0	-42.25	315.59	3.78	-38.47
COCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186796	0	45	-1.0	-47.92	352.06	3.10	-44.82
CC(C)C(C)(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300008186797	0	37	-1.0	-58.67	298.14	4.89	-53.78
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186798	0	37	-1.0	-38.20	306.44	5.09	-33.11
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1C	REAL300008186799	0	42	-1.0	-55.69	308.35	6.15	-49.54
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186800	0	43	-1.0	-43.77	350.47	2.10	-41.67
CC(C)C(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300008186801	0	46	-1.0	-45.87	374.70	1.45	-44.42
CC1=NC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)S1	REAL300008186802	0	36	-1.0	-53.68	291.40	2.71	-50.97
CC(C)C(C)(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300008186803	0	37	-1.0	-43.52	310.45	5.08	-38.44
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CC=C1F	REAL300008186804	0	38	-1.0	-39.75	302.44	3.01	-36.74
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008186805	0	44	-1.0	-44.60	339.89	7.02	-37.58
CC(C)C(C)(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008186806	0	37	-1.0	-56.83	327.37	5.94	-50.89
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)S2)=CS1	REAL300008186807	0	40	-1.0	-44.26	346.94	4.25	-40.01
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300008186808	0	54	-1.0	-45.28	401.71	7.23	-38.05
CNC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CN1C	REAL300008186809	0	42	-1.0	-48.86	332.76	1.34	-47.52
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(C)=C1	REAL300008186810	0	44	-1.0	-42.81	328.37	4.51	-38.30
CC(C)C(C)(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008186811	0	45	-1.0	-45.29	349.90	7.71	-37.58
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C	REAL300008186812	0	44	-1.0	-43.21	334.73	4.57	-38.64
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300008186813	0	42	-1.0	-54.45	318.09	5.22	-49.23
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300008186814	0	39	-1.0	-44.03	308.08	4.29	-39.74
CCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300008186815	0	39	-1.0	-52.95	319.11	4.84	-48.11
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008186816	0	41	-1.0	-47.44	338.07	4.31	-43.13
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008186817	0	48	-1.0	-46.85	378.40	6.90	-39.95
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186818	0	42	-1.0	-60.11	330.51	5.37	-54.74
CC(C)C(C)(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008186819	0	44	-1.0	-53.21	352.97	5.40	-47.81
CC(C)C(C)(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300008186820	0	37	-1.0	-58.01	297.99	2.82	-55.19
CC(C)C(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008186821	0	42	-1.0	-46.17	342.60	0.22	-45.95
CC(C)C(C)(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300008186822	0	37	-1.0	-40.89	298.03	4.55	-36.34
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300008186823	0	47	-1.0	-57.42	359.90	6.72	-50.70
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186824	0	44	-1.0	-45.22	341.91	5.04	-40.18
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008186825	0	39	-1.0	-57.80	315.42	3.80	-54.00
CC(C)C(C)(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008186826	0	41	-1.0	-46.22	330.66	4.71	-41.51
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186827	0	48	-1.0	-47.82	373.92	4.07	-43.75
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186828	0	50	-1.0	-40.80	381.60	6.18	-34.62
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300008186829	0	44	-1.0	-57.77	322.66	6.78	-50.99
CC(C)C(C)(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300008186830	0	38	-1.0	-43.55	323.57	5.08	-38.47
CC(C)C(C)(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300008186831	0	39	-1.0	-40.62	301.66	2.91	-37.71
CC(C)C(C)(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008186832	0	42	-1.0	-64.01	332.72	5.40	-58.61
CC(C)C(C)(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008186833	0	39	-1.0	-42.75	313.99	3.78	-38.97
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(C)=C1	REAL300008186834	0	44	-1.0	-43.21	341.06	4.81	-38.40
CC(C)C(C)(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008186835	0	38	-1.0	-44.16	307.13	3.85	-40.31
CSC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186836	0	38	-1.0	-45.57	307.38	4.64	-40.93
CC(C)C(C)(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008186837	0	40	-1.0	-40.59	330.68	5.51	-35.08
CCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)N=C1C	REAL300008186838	0	40	-1.0	-58.53	312.46	3.56	-54.97
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008186839	0	40	-1.0	-47.12	318.43	3.57	-43.55
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300008186840	0	39	-1.0	-56.02	304.86	4.55	-51.47
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300008186841	0	46	-1.0	-46.20	362.55	5.60	-40.60
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300008186842	0	40	-1.0	-40.84	321.39	5.15	-35.69
CC(C)C(C)(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300008186843	0	40	-1.0	-58.68	341.85	5.39	-53.29
CC(C)C(C)(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008186844	0	43	-1.0	-44.19	330.49	5.20	-38.99
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C12	REAL300008186845	0	42	-1.0	-44.12	332.01	3.30	-40.82
COCC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186846	0	41	-1.0	-41.83	320.86	3.33	-38.50
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008186847	0	45	-1.0	-61.25	347.86	5.32	-55.93
CC(C)C(C)(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008186848	0	37	-1.0	-57.51	306.42	5.32	-52.19
CC(C)C(C)(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300008186849	0	42	-1.0	-57.10	331.12	4.72	-52.38
CC(C)C(C)(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008186850	0	37	-1.0	-48.81	321.17	5.43	-43.38
CC(C)C(C)(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008186851	0	42	-1.0	-45.76	324.15	4.21	-41.55
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186852	0	46	-1.0	-52.49	319.65	7.06	-45.43
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186853	0	46	-1.0	-59.35	356.05	2.96	-56.39
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300008186854	0	45	-1.0	-42.51	372.57	6.98	-35.53
CC(C)C(C)(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008186855	0	40	-1.0	-58.17	329.84	5.63	-52.54
CC(C)C(C)(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300008186856	0	40	-1.0	-46.54	353.83	5.29	-41.25
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C2)=CO1	REAL300008186857	0	43	-1.0	-45.99	342.13	2.67	-43.32
CC(C)C(C)(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008186858	0	37	-1.0	-42.20	306.92	2.38	-39.82
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008186859	0	37	-1.0	-46.21	301.42	4.35	-41.86
CC(C)C(C)(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300008186860	0	37	-1.0	-42.11	291.75	2.26	-39.85
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=N1	REAL300008186861	0	37	-1.0	-41.33	292.97	0.26	-41.07
CC(C)C(C)(NS(=O)(=O)C1=CN=C2CCCN21)C(=O)[O-]	REAL300008186862	0	38	-1.0	-58.70	295.67	3.32	-55.38
CC(C)C(C)(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300008186863	0	42	-1.0	-43.55	319.45	4.21	-39.34
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=N2)C=C1	REAL300008186864	0	44	-1.0	-53.19	348.97	5.62	-47.57
CC(C)C(C)(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008186865	0	42	-1.0	-42.10	339.52	4.70	-37.40
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300008186866	0	39	-1.0	-37.82	310.77	4.82	-33.00
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=N1	REAL300008186867	0	45	-1.0	-50.97	354.66	4.33	-46.64
CC(C)C(C)(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008186868	0	36	-1.0	-44.66	297.74	3.03	-41.63
CC(C)C(C)(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300008186869	0	42	-1.0	-47.71	317.93	3.98	-43.73
CC1=CC2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C2C=C1	REAL300008186870	0	43	-1.0	-56.91	334.92	7.05	-49.86
COC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)SC=C1	REAL300008186871	0	35	-1.0	-63.84	286.26	2.30	-61.54
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300008186872	0	42	-1.0	-56.63	319.88	4.51	-52.12
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300008186873	0	39	-1.0	-46.12	307.20	3.60	-42.52
CC(C)C(C)(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300008186874	0	39	-1.0	-59.22	316.19	4.20	-55.02
CC(C)C(C)(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300008186875	0	39	-1.0	-43.34	301.51	3.45	-39.89
CC(C)C(C)(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008186876	0	40	-1.0	-39.23	329.86	5.79	-33.44
CC(C)C(C)(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008186877	0	46	-1.0	-46.69	342.48	4.21	-42.48
CC(C)C(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008186878	0	36	-1.0	-39.18	300.45	2.81	-36.37
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186879	0	42	-1.0	-63.61	322.42	4.35	-59.26
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186880	0	42	-1.0	-37.96	327.62	5.53	-32.43
CC1=CC=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300008186881	0	42	-1.0	-57.51	326.52	7.00	-50.51
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300008186882	0	42	-1.0	-63.53	328.92	6.11	-57.42
COC1=CC=C(CCS(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186883	0	44	-1.0	-41.79	342.62	4.56	-37.23
COC1=CN=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186884	0	37	-1.0	-42.60	290.06	0.99	-41.61
CC(C)C(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008186885	0	43	-1.0	-41.70	340.51	5.33	-36.37
CC(C)C(C)(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300008186886	0	41	-1.0	-41.50	314.78	5.68	-35.82
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CC(OC)=C1	REAL300008186887	0	42	-1.0	-45.63	324.72	2.24	-43.39
CC(C)C(C)(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300008186888	0	46	-1.0	-39.61	333.91	5.45	-34.16
CC1=CC2=C(C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)OCO2	REAL300008186889	0	40	-1.0	-58.04	311.02	3.59	-54.45
CC(C)C(C)(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300008186890	0	37	-1.0	-48.24	303.33	4.21	-44.03
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CC=C1Cl	REAL300008186891	0	38	-1.0	-39.41	312.24	3.48	-35.93
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300008186892	0	42	-1.0	-68.01	322.05	5.99	-62.02
CCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1CC	REAL300008186893	0	46	-1.0	-46.02	345.20	6.22	-39.80
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186894	0	42	-1.0	-48.79	324.82	6.43	-42.36
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186895	0	44	-1.0	-56.83	326.83	5.61	-51.22
CC1=C(C)SC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186896	0	37	-1.0	-41.68	300.51	4.07	-37.61
CC(C)C(C)(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300008186897	0	35	-1.0	-52.16	292.10	1.91	-50.25
CCC1=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)S1	REAL300008186898	0	36	-1.0	-44.19	298.72	2.36	-41.83
CC(C)C(C)(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300008186899	0	41	-1.0	-46.46	319.47	3.37	-43.09
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)S1	REAL300008186900	0	37	-1.0	-56.81	298.47	4.55	-52.26
CC(C)C(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300008186901	0	40	-1.0	-63.62	314.66	5.80	-57.82
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300008186902	0	37	-1.0	-57.12	295.71	2.75	-54.37
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CC(C)=C1F	REAL300008186903	0	40	-1.0	-39.46	312.39	4.96	-34.50
CC(C)C(C)(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300008186904	0	41	-1.0	-47.08	321.71	3.34	-43.74
CC(C)C(C)(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300008186905	0	36	-1.0	-47.85	306.51	3.28	-44.57
CC(C)C(C)(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008186906	0	37	-1.0	-38.58	308.47	4.95	-33.63
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CC=C1Cl	REAL300008186907	0	37	-1.0	-38.62	301.24	4.70	-33.92
CC(C)C(C)(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300008186908	0	40	-1.0	-48.75	313.83	4.60	-44.15
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C2)=N1	REAL300008186909	0	43	-1.0	-43.61	351.94	5.06	-38.55
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300008186910	0	42	-1.0	-60.87	322.74	5.33	-55.54
CC(C)C(C)(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300008186911	0	41	-1.0	-44.85	330.87	1.48	-43.37
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300008186912	0	43	-1.0	-49.15	336.80	4.29	-44.86
CC(C)C(C)(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300008186913	0	37	-1.0	-48.06	313.08	5.02	-43.04
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186914	0	59	-1.0	-45.26	447.43	8.54	-36.72
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186915	0	47	-1.0	-56.07	359.53	5.87	-50.20
COC(CS(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C1CCCC1	REAL300008186916	0	47	-1.0	-48.09	342.75	4.68	-43.41
COC(CS(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C1CCCCC1	REAL300008186917	0	50	-1.0	-49.01	360.75	5.11	-43.90
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300008186918	0	48	-1.0	-42.08	384.21	6.99	-35.09
CCOC(CS(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C1CC1	REAL300008186919	0	44	-1.0	-41.43	331.81	4.14	-37.29
CCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008186920	0	53	-1.0	-42.00	397.23	6.65	-35.35
CCC1=NC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CN1CC1CC1	REAL300008186921	0	47	-1.0	-51.87	364.19	5.91	-45.96
CC(C)C(C)(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300008186922	0	37	-1.0	-41.93	307.47	3.16	-38.77
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300008186923	0	42	-1.0	-40.92	336.99	6.09	-34.83
CC(C)C(C)(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300008186924	0	41	-1.0	-40.10	308.90	3.31	-36.79
CC(C)C(C)(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300008186925	0	47	-1.0	-52.00	370.42	6.30	-45.70
CC(C)C(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300008186926	0	37	-1.0	-42.14	310.63	2.12	-40.02
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008186927	0	45	-1.0	-59.35	368.81	8.21	-51.14
CC(C)C(C)(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300008186928	0	44	-1.0	-60.13	334.86	7.52	-52.61
CCC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300008186929	0	47	-1.0	-43.69	355.89	5.34	-38.35
CC(C)C(C)(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008186930	0	40	-1.0	-43.07	338.36	5.49	-37.58
CC(C)C(C)(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008186931	1	36	-1.0	-47.57	297.24	2.55	-45.02
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300008186932	0	43	-1.0	-57.41	322.23	7.04	-50.37
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=N1	REAL300008186933	0	43	-1.0	-41.02	334.97	2.12	-38.90
COC1=C(F)C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186934	0	38	-1.0	-52.89	303.97	4.13	-48.76
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008186935	0	50	-1.0	-45.62	377.10	5.88	-39.74
CC(C)C(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300008186936	0	46	-1.0	-42.35	345.04	5.95	-36.40
CC(C)C(C)(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008186937	0	53	-1.0	-41.56	393.47	8.29	-33.27
CC(C)C(C)(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300008186938	0	44	-1.0	-50.80	316.63	4.10	-46.70
CC(C)C(C)(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300008186939	0	46	-1.0	-60.28	338.73	4.17	-56.11
CC(C)C(C)(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300008186940	0	44	-1.0	-45.08	337.50	3.94	-41.14
CC(C)C(C)(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300008186941	0	37	-1.0	-45.77	300.25	3.11	-42.66
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186942	0	41	-1.0	-59.84	327.41	4.30	-55.54
C=CCCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300008186943	0	44	-1.0	-39.38	337.92	6.40	-32.98
CCC1=NN(C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186944	0	40	-1.0	-53.92	315.39	3.16	-50.76
CCCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008186945	0	56	-1.0	-42.23	418.77	7.44	-34.79
CC(C)C(C)(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008186946	0	38	-1.0	-40.80	320.10	5.54	-35.26
CCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300008186947	0	56	-1.0	-42.17	409.50	7.28	-34.89
CCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1CC	REAL300008186948	0	50	-1.0	-40.24	376.95	6.17	-34.07
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186949	0	40	-1.0	-39.12	315.91	5.74	-33.38
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186950	0	40	-1.0	-57.09	329.76	6.08	-51.01
CC(C)C(C)(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008186951	0	38	-1.0	-56.28	316.39	5.76	-50.52
CCCC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186952	0	43	-1.0	-58.04	321.24	6.67	-51.37
COC1=NC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186953	0	37	-1.0	-56.21	296.03	1.33	-54.88
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186954	0	50	-1.0	-53.22	384.98	6.76	-46.46
CC(C)C(C)(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300008186955	0	39	-1.0	-44.96	307.75	4.15	-40.81
CC1=CSC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186956	0	37	-1.0	-39.75	294.27	4.32	-35.43
CC(C)C(C)(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300008186957	0	41	-1.0	-55.77	316.92	3.50	-52.27
CC(C)C(C)(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300008186958	0	41	-1.0	-43.14	315.89	3.42	-39.72
CC(C)C(C)(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300008186959	0	44	-1.0	-45.83	335.25	4.25	-41.58
CC(C)C(C)(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300008186960	0	45	-1.0	-59.58	344.81	2.07	-57.51
CC(C)C(C)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300008186961	0	40	-1.0	-45.26	335.40	4.66	-40.60
CC(C)C(C)(NS(=O)(=O)C1=CN=C2CCCCN21)C(=O)[O-]	REAL300008186962	0	41	-1.0	-46.24	303.78	3.98	-42.26
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300008186963	0	59	-1.0	-41.81	440.23	8.21	-33.60
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1C	REAL300008186964	0	50	-1.0	-58.42	367.39	6.09	-52.33
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186965	0	44	-1.0	-43.78	347.93	5.46	-38.32
CC(C)C(C)(NS(=O)(=O)C1=C2OC(C)CC2=CC=C1)C(=O)[O-]	REAL300008186966	0	42	-1.0	-60.65	326.80	4.74	-55.91
CC(C)C(C)(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008186967	0	42	-1.0	-52.55	335.53	3.59	-48.96
CC(C)C(C)(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300008186968	0	40	-1.0	-58.08	322.16	4.53	-53.55
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186969	0	39	-1.0	-52.84	306.31	3.57	-49.27
CC(C)C(C)(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300008186970	0	35	-1.0	-38.51	280.50	2.38	-36.13
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300008186971	0	37	-1.0	-44.57	306.08	5.18	-39.39
CC(C)C(C)(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300008186972	0	41	-1.0	-47.01	309.00	3.75	-43.26
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(C)=C1F	REAL300008186973	0	43	-1.0	-42.07	321.56	5.80	-36.27
COC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1OC	REAL300008186974	0	42	-1.0	-56.30	326.97	3.96	-52.34
CC(C)C(C)(NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300008186975	0	37	-1.0	-54.66	299.76	4.47	-50.19
CC(C)C(C)(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300008186976	0	47	-1.0	-54.86	358.35	4.93	-49.93
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C(C)C	REAL300008186977	0	46	-1.0	-52.72	346.00	4.46	-48.26
CCCCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C(C)=N1	REAL300008186978	0	46	-1.0	-42.65	355.38	4.16	-38.49
CC(C)C(C)(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300008186979	0	41	-1.0	-54.73	327.33	3.97	-50.76
CC(C)C(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300008186980	0	38	-1.0	-43.07	305.02	3.18	-39.89
CC(C)C(C)(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300008186981	0	39	-1.0	-50.53	315.46	2.07	-48.46
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C=C1Br	REAL300008186982	0	40	-1.0	-41.97	329.29	5.76	-36.21
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300008186983	0	40	-1.0	-51.40	336.45	5.19	-46.21
CC(C)C(C)(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300008186984	0	44	-1.0	-54.68	339.84	4.39	-50.29
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186985	0	52	-1.0	-59.56	377.75	7.98	-51.58
CC(C)C(C)(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300008186986	0	40	-1.0	-36.08	333.33	5.54	-30.54
CC(C)C(C)(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300008186987	0	44	-1.0	-52.69	340.92	4.48	-48.21
CC(C)C(C)(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300008186988	0	38	-1.0	-58.27	304.87	5.35	-52.92
CC(C)C(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300008186989	0	45	-1.0	-44.20	372.58	6.87	-37.33
COC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300008186990	0	43	-1.0	-72.71	333.17	5.21	-67.50
CCCC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186991	0	43	-1.0	-46.62	331.54	5.83	-40.79
CC(C)C(C)(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300008186992	0	41	-1.0	-43.87	311.52	2.97	-40.90
CC(C)C(C)(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300008186993	0	43	-1.0	-54.97	316.35	3.75	-51.22
CC(C)C(C)(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300008186994	0	43	-1.0	-53.10	331.52	3.55	-49.55
CC(C)C(C)(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300008186995	0	41	-1.0	-53.66	319.51	3.17	-50.49
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300008186996	0	39	-1.0	-38.71	316.80	3.40	-35.31
CC(C)C(C)(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008186997	0	37	-1.0	-41.83	312.29	4.69	-37.14
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300008186998	0	45	-1.0	-59.74	352.01	6.14	-53.60
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300008186999	0	45	-1.0	-44.37	338.15	6.72	-37.65
CC(C)C(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300008187000	0	40	-1.0	-53.45	330.91	5.03	-48.42
COC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189450	0	34	-1.0	-57.00	286.30	5.22	-51.78
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189451	0	41	-1.0	-59.56	342.38	5.55	-54.01
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C	REAL300008189452	0	41	-1.0	-63.59	354.75	2.80	-60.79
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008189453	0	48	-1.0	-59.09	349.89	7.52	-51.57
CC1=NC2=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=CC=C2C=C1	REAL300008189454	0	38	-1.0	-62.04	315.86	6.91	-55.13
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008189455	0	38	-1.0	-63.88	328.06	7.76	-56.12
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008189456	0	41	-1.0	-52.70	334.57	3.86	-48.84
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189457	0	44	-1.0	-58.10	375.81	6.48	-51.62
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189458	0	44	-1.0	-60.17	365.66	6.40	-53.77
CC(COC1CCCC1)CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189459	0	46	-1.0	-51.20	358.40	6.92	-44.28
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189460	0	37	-1.0	-52.73	325.70	5.67	-47.06
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008189461	0	38	-1.0	-61.16	322.17	3.66	-57.50
COC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189462	0	34	-1.0	-53.80	308.38	5.32	-48.48
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008189463	0	34	-1.0	-56.22	298.66	5.55	-50.67
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008189464	0	36	-1.0	-54.75	318.29	6.59	-48.16
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189465	0	36	-1.0	-49.61	300.33	6.68	-42.93
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189466	0	36	-1.0	-53.61	299.91	6.50	-47.11
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300008189467	0	36	-1.0	-55.89	317.22	7.38	-48.51
CC(C)C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189468	0	39	-1.0	-55.23	295.46	6.74	-48.49
CCOC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189469	0	37	-1.0	-60.18	314.09	6.09	-54.09
COCCN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300008189470	0	37	-1.0	-56.09	317.13	2.95	-53.14
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008189471	0	37	-1.0	-60.14	321.83	5.91	-54.23
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1C	REAL300008189472	0	57	-1.0	-54.71	451.56	10.44	-44.27
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008189473	0	38	-1.0	-50.32	331.74	7.65	-42.67
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008189474	0	35	-1.0	-63.67	304.01	6.23	-57.44
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008189475	0	33	-1.0	-51.34	304.95	6.86	-44.48
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300008189476	0	33	-1.0	-53.54	300.52	6.81	-46.73
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008189477	0	37	-1.0	-63.19	322.39	3.23	-59.96
CC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189478	0	33	-1.0	-50.34	300.49	6.63	-43.71
CC1=C(Br)C=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189479	0	33	-1.0	-48.81	277.92	6.20	-42.61
COCC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189480	0	37	-1.0	-51.44	291.16	4.79	-46.65
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1Br	REAL300008189481	0	34	-1.0	-50.24	307.36	5.36	-44.88
COC1=CC(OC)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Cl	REAL300008189482	0	38	-1.0	-59.08	335.89	5.36	-53.72
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008189483	0	33	-1.0	-59.39	301.31	4.40	-54.99
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008189484	0	33	-1.0	-59.15	295.31	4.23	-54.92
CC1(C)CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C2O1	REAL300008189485	0	41	-1.0	-55.29	334.47	6.63	-48.66
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008189486	0	33	-1.0	-46.73	293.62	4.44	-42.29
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189487	0	42	-1.0	-59.04	361.44	4.58	-54.46
CSC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189488	0	34	-1.0	-54.38	281.73	5.88	-48.50
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300008189489	0	38	-1.0	-62.00	341.17	2.60	-59.40
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189490	0	41	-1.0	-57.88	318.91	5.15	-52.73
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300008189491	0	41	-1.0	-60.87	362.63	3.49	-57.38
CCC1=CC=C(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189492	0	39	-1.0	-55.41	326.29	7.71	-47.70
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCC1=CC=CS1	REAL300008189493	0	33	-1.0	-49.43	293.68	6.09	-43.34
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008189494	0	45	-1.0	-56.45	376.52	6.29	-50.16
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008189495	0	42	-1.0	-57.40	332.39	4.58	-52.82
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189496	0	39	-1.0	-71.09	344.95	4.27	-66.82
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189497	0	40	-1.0	-68.50	341.22	2.71	-65.79
CC1=CC=C(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C	REAL300008189498	0	39	-1.0	-54.26	319.89	7.44	-46.82
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Br	REAL300008189499	0	37	-1.0	-61.34	334.53	6.75	-54.59
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300008189500	0	44	-1.0	-65.13	370.92	8.93	-56.20
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008189501	0	34	-1.0	-55.05	308.99	6.00	-49.05
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300008189502	0	36	-1.0	-51.97	337.94	3.49	-48.48
COC1=CC=C(Br)C(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189503	0	37	-1.0	-52.92	325.28	5.91	-47.01
CC1(C)CN(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CCO1	REAL300008189504	0	39	-1.0	-57.40	308.94	4.07	-53.33
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2S1	REAL300008189505	0	44	-1.0	-54.35	370.78	7.28	-47.07
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189506	0	37	-1.0	-56.17	319.38	6.39	-49.78
CC(C)N1N=CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C21	REAL300008189507	0	42	-1.0	-60.46	353.85	7.39	-53.07
CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189508	0	37	-1.0	-62.14	326.43	0.64	-61.50
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008189509	0	36	-1.0	-62.98	316.21	7.11	-55.87
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008189510	0	33	-1.0	-59.05	318.14	7.83	-51.22
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008189511	0	36	-1.0	-65.57	329.50	8.60	-56.97
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008189512	0	33	-1.0	-49.65	304.59	7.09	-42.56
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008189513	0	36	-1.0	-54.61	308.34	7.78	-46.83
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008189514	0	36	-1.0	-55.24	318.47	7.15	-48.09
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008189515	0	41	-1.0	-61.49	343.73	7.24	-54.25
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008189516	0	44	-1.0	-56.84	367.70	8.69	-48.15
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189517	0	43	-1.0	-60.56	364.32	6.88	-53.68
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008189518	0	41	-1.0	-59.49	359.63	2.61	-56.88
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008189519	0	39	-1.0	-64.99	332.98	8.73	-56.26
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1N(C)C	REAL300008189520	0	41	-1.0	-53.35	332.36	6.05	-47.30
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008189521	0	36	-1.0	-59.18	325.67	7.83	-51.35
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008189522	0	35	-1.0	-58.84	294.13	2.21	-56.63
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCOCC1CCCC1	REAL300008189523	0	43	-1.0	-57.95	347.31	6.36	-51.59
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Cl	REAL300008189524	0	37	-1.0	-54.83	306.80	5.30	-49.53
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189525	0	39	-1.0	-62.28	344.35	3.76	-58.52
CSC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Cl	REAL300008189526	0	34	-1.0	-61.32	317.98	7.32	-54.00
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189527	0	42	-1.0	-55.67	336.14	6.31	-49.36
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008189528	0	38	-1.0	-47.58	328.49	3.92	-43.66
CCC1=NOC2=NC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C12	REAL300008189529	0	37	-1.0	-54.96	319.03	3.00	-51.96
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008189530	0	41	-1.0	-48.81	353.28	5.16	-43.65
CN1N=CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CN=C21	REAL300008189531	0	35	-1.0	-50.59	301.82	4.51	-46.08
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008189532	0	36	-1.0	-53.84	324.43	8.31	-45.53
CCC1=CC(CC)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(CC)=C1	REAL300008189533	0	48	-1.0	-59.49	355.27	9.99	-49.50
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008189534	0	37	-1.0	-73.68	308.57	5.93	-67.75
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008189535	0	36	-1.0	-48.87	326.02	3.45	-45.42
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008189536	0	39	-1.0	-56.55	313.76	8.46	-48.09
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1F	REAL300008189537	0	37	-1.0	-48.80	297.30	4.47	-44.33
CC1(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CCCCC1	REAL300008189538	0	42	-1.0	-54.06	309.94	6.99	-47.07
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008189539	0	39	-1.0	-62.79	324.65	7.30	-55.49
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008189541	0	38	-1.0	-53.66	326.86	6.58	-47.08
COCC1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189542	0	37	-1.0	-54.49	329.28	5.59	-48.90
CC1=CC=C(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(F)=C1	REAL300008189543	0	36	-1.0	-60.68	310.58	6.96	-53.72
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008189545	0	30	-1.0	-56.71	295.31	6.05	-50.66
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008189546	0	43	-1.0	-61.76	351.49	9.19	-52.57
CC(C)(C)C1=CC(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=NO1	REAL300008189547	0	41	-1.0	-60.88	341.31	6.27	-54.61
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008189548	0	39	-1.0	-62.87	321.43	2.67	-60.20
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008189549	0	33	-1.0	-61.21	298.97	6.35	-54.86
CC1=C(CCS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])SC=N1	REAL300008189550	0	35	-1.0	-50.24	307.36	4.74	-45.50
COC1=CC=C2C=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])CCC2=C1	REAL300008189551	0	42	-1.0	-60.87	346.79	7.52	-53.35
CC(C)(CCS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])S(C)(=O)=O	REAL300008189552	0	41	-1.0	-67.04	335.82	3.01	-64.03
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1CCCCC1(F)F	REAL300008189553	0	39	-1.0	-58.53	315.50	6.99	-51.54
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C12	REAL300008189554	0	45	-1.0	-59.51	381.22	8.54	-50.97
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008189555	0	37	-1.0	-54.10	308.26	7.63	-46.47
CCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008189556	0	38	-1.0	-54.65	325.29	7.70	-46.95
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008189557	0	30	-1.0	-50.65	274.52	5.88	-44.77
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008189558	0	30	-1.0	-50.55	279.08	5.97	-44.58
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008189559	0	32	-1.0	-48.65	286.02	6.02	-42.63
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008189560	0	36	-1.0	-62.78	308.71	8.15	-54.63
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008189561	0	32	-1.0	-54.58	290.99	6.54	-48.04
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189562	0	35	-1.0	-58.96	289.55	6.18	-52.78
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008189563	0	32	-1.0	-70.07	271.22	6.69	-63.38
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189564	0	37	-1.0	-56.67	325.26	6.72	-49.95
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189565	0	37	-1.0	-54.78	308.82	5.59	-49.19
CC1=CC(C)=C(C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1C	REAL300008189566	0	42	-1.0	-60.21	324.43	8.27	-51.94
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1	REAL300008189567	0	39	-1.0	-52.34	294.16	6.81	-45.53
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189568	0	45	-1.0	-56.58	337.57	8.03	-48.55
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008189569	0	33	-1.0	-62.13	301.80	6.88	-55.25
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008189570	0	33	-1.0	-67.77	283.64	6.98	-60.79
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008189571	0	30	-1.0	-56.63	279.46	6.39	-50.24
CC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189572	0	35	-1.0	-58.20	303.53	6.22	-51.98
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008189573	0	36	-1.0	-55.28	318.29	6.62	-48.66
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189574	0	42	-1.0	-54.84	333.99	7.68	-47.16
CC(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189575	0	39	-1.0	-54.90	318.02	7.29	-47.61
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189576	0	41	-1.0	-56.82	353.28	3.36	-53.46
CCCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189577	0	39	-1.0	-54.82	322.18	7.58	-47.24
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Br	REAL300008189578	0	34	-1.0	-61.67	312.68	5.82	-55.85
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1Br	REAL300008189579	0	33	-1.0	-57.09	302.22	7.05	-50.04
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)=C1	REAL300008189580	0	44	-1.0	-54.80	368.98	8.93	-45.87
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008189581	0	34	-1.0	-48.80	303.76	5.15	-43.65
CC1=C(C)C(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1C	REAL300008189582	0	45	-1.0	-52.56	321.74	7.49	-45.07
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008189583	0	39	-1.0	-59.18	325.55	5.82	-53.36
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189584	0	46	-1.0	-59.93	358.39	7.54	-52.39
CN1C=C(Br)C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C21	REAL300008189585	0	37	-1.0	-60.10	338.49	8.22	-51.88
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008189586	0	35	-1.0	-68.18	307.06	7.06	-61.12
COC1=CC=C(Br)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189587	0	34	-1.0	-55.23	301.20	5.77	-49.46
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189588	0	48	-1.0	-57.02	362.09	9.56	-47.46
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008189589	0	33	-1.0	-49.64	296.21	6.37	-43.27
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008189590	0	40	-1.0	-56.99	320.19	7.86	-49.13
COC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189591	0	38	-1.0	-60.42	309.46	4.45	-55.97
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1OC	REAL300008189592	0	38	-1.0	-61.50	321.50	5.05	-56.45
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008189593	0	37	-1.0	-63.02	308.29	7.78	-55.24
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008189594	0	38	-1.0	-61.66	317.26	8.28	-53.38
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008189595	0	35	-1.0	-54.54	293.14	5.27	-49.27
CC(C)CCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189596	0	45	-1.0	-54.70	361.25	8.85	-45.85
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1OCC	REAL300008189597	0	44	-1.0	-53.27	359.89	6.43	-46.84
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189598	0	35	-1.0	-63.16	317.31	0.80	-62.36
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1C	REAL300008189599	0	38	-1.0	-59.98	305.35	6.94	-53.04
CC1=CC2=CC=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=C2N=C1	REAL300008189600	0	38	-1.0	-59.06	313.10	6.84	-52.22
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008189601	0	36	-1.0	-71.64	305.59	6.01	-65.63
COC1=CC(Cl)=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189602	0	34	-1.0	-51.89	297.68	5.70	-46.19
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189603	0	35	-1.0	-69.95	317.02	0.80	-69.15
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008189604	0	42	-1.0	-68.76	371.80	3.70	-65.06
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189605	0	38	-1.0	-54.32	325.37	6.81	-47.51
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008189606	0	39	-1.0	-60.55	319.63	7.13	-53.42
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CN=C12	REAL300008189607	0	38	-1.0	-54.85	305.61	6.24	-48.61
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C	REAL300008189608	0	38	-1.0	-59.02	306.58	7.59	-51.43
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189609	0	41	-1.0	-54.26	352.19	3.40	-50.86
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008189610	0	42	-1.0	-72.11	343.19	4.77	-67.34
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189611	0	36	-1.0	-71.41	323.48	3.37	-68.04
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008189612	0	40	-1.0	-56.14	309.99	8.35	-47.79
CC1CC(C)CN(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300008189613	0	41	-1.0	-58.94	323.03	6.17	-52.77
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008189614	0	36	-1.0	-57.26	292.03	7.29	-49.97
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008189615	0	40	-1.0	-56.20	331.98	8.78	-47.42
CN(C)C1=CC=CC2=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=CC=C12	REAL300008189616	0	44	-1.0	-53.58	342.26	7.07	-46.51
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008189617	0	31	-1.0	-51.72	279.41	3.60	-48.12
COC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189618	0	34	-1.0	-55.43	296.65	5.67	-49.76
CCC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189619	0	45	-1.0	-55.26	348.22	8.15	-47.11
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Cl	REAL300008189620	0	33	-1.0	-56.83	298.24	6.96	-49.87
CC(C)OC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189621	0	40	-1.0	-55.42	327.60	6.26	-49.16
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300008189622	0	31	-1.0	-47.19	270.66	4.09	-43.10
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008189623	0	35	-1.0	-66.50	315.18	7.73	-58.77
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008189624	0	35	-1.0	-61.73	294.45	6.36	-55.37
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008189625	0	41	-1.0	-58.84	367.88	9.22	-49.62
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189626	0	36	-1.0	-48.86	309.17	5.85	-43.01
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300008189627	0	34	-1.0	-62.89	298.49	5.22	-57.67
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008189628	0	41	-1.0	-53.11	364.72	8.77	-44.34
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300008189629	0	45	-1.0	-55.14	377.50	7.54	-47.60
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C(C)C)=C1	REAL300008189630	0	57	-1.0	-55.35	411.71	10.81	-44.54
CC(C)OC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008189631	0	46	-1.0	-57.28	360.30	8.28	-49.00
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008189632	0	33	-1.0	-46.57	313.39	7.21	-39.36
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008189633	0	40	-1.0	-56.65	319.85	6.63	-50.02
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189634	0	35	-1.0	-48.34	289.20	6.30	-42.04
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189635	0	35	-1.0	-45.18	285.32	6.33	-38.85
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189636	0	38	-1.0	-54.13	305.98	7.27	-46.86
CC(C)CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189637	0	42	-1.0	-55.01	338.94	8.04	-46.97
COCCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189638	0	40	-1.0	-54.64	334.36	5.87	-48.77
COCCN(CCOC)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189639	0	42	-1.0	-56.33	318.11	4.29	-52.04
CC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189640	0	33	-1.0	-54.58	277.80	6.20	-48.38
COC1=C(C)C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C	REAL300008189641	0	40	-1.0	-60.10	336.54	6.75	-53.35
CC(C)CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189642	0	46	-1.0	-53.99	369.38	7.69	-46.30
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008189643	0	44	-1.0	-53.96	352.53	7.61	-46.35
CC(C)COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189644	0	43	-1.0	-54.38	350.42	7.09	-47.29
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189645	0	40	-1.0	-54.29	330.31	6.39	-47.90
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Cl	REAL300008189646	0	34	-1.0	-61.73	308.29	5.71	-56.02
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008189647	0	34	-1.0	-59.57	318.05	5.98	-53.59
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C	REAL300008189648	0	37	-1.0	-59.77	312.29	5.91	-53.86
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300008189649	0	43	-1.0	-59.51	352.50	7.45	-52.06
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1	REAL300008189650	0	37	-1.0	-52.76	289.80	5.03	-47.73
COCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189651	0	41	-1.0	-57.39	342.45	4.86	-52.53
CC1=CC(Br)=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189652	0	33	-1.0	-50.51	282.54	6.27	-44.24
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1C	REAL300008189653	0	38	-1.0	-52.55	303.40	8.11	-44.44
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189654	0	39	-1.0	-67.11	320.81	3.25	-63.86
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008189655	0	42	-1.0	-56.96	366.81	3.20	-53.76
CC1=NC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300008189656	0	32	-1.0	-55.78	279.97	3.70	-52.08
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300008189657	0	33	-1.0	-51.79	285.52	6.47	-45.32
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1F	REAL300008189658	0	34	-1.0	-50.88	293.17	4.77	-46.11
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008189659	0	40	-1.0	-67.09	336.98	9.26	-57.83
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008189660	0	33	-1.0	-58.83	320.43	7.59	-51.24
CC1=NC(C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])S2)=CS1	REAL300008189661	0	36	-1.0	-55.50	337.06	5.94	-49.56
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008189662	0	50	-1.0	-54.48	392.37	8.98	-45.50
CNC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CN1C	REAL300008189663	0	38	-1.0	-54.31	321.59	3.01	-51.30
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1	REAL300008189664	0	40	-1.0	-51.25	305.11	5.31	-45.94
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008189665	0	41	-1.0	-62.21	346.95	9.99	-52.22
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C	REAL300008189666	0	40	-1.0	-54.84	310.63	5.77	-49.07
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008189667	0	38	-1.0	-50.63	296.65	5.67	-44.96
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008189668	0	35	-1.0	-52.48	284.78	5.49	-46.99
CCN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008189669	0	35	-1.0	-48.36	304.09	6.20	-42.16
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008189670	0	37	-1.0	-55.70	328.39	6.05	-49.65
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008189671	0	44	-1.0	-55.75	368.73	8.64	-47.11
CCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189672	0	38	-1.0	-64.36	325.82	7.13	-57.23
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008189673	0	40	-1.0	-58.91	343.35	6.90	-52.01
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008189674	0	33	-1.0	-82.32	291.07	5.05	-77.27
CC(C)CCN(CCC(C)C)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189675	0	52	-1.0	-62.85	405.75	8.88	-53.97
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189676	0	38	-1.0	-63.73	335.56	2.01	-61.72
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008189677	0	43	-1.0	-56.53	341.70	7.55	-48.98
CCOC1=CC=C(C)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189678	0	40	-1.0	-56.49	323.58	6.78	-49.71
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008189679	0	35	-1.0	-78.26	311.08	6.04	-72.22
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008189680	0	37	-1.0	-57.85	317.94	6.45	-51.40
CCOCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189681	0	44	-1.0	-57.39	364.30	5.83	-51.56
CCCCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189682	0	46	-1.0	-54.29	373.63	7.94	-46.35
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008189683	0	40	-1.0	-54.05	303.87	7.01	-47.04
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008189684	0	34	-1.0	-48.65	314.16	6.82	-41.83
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300008189685	0	35	-1.0	-55.05	293.76	4.66	-50.39
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008189686	0	38	-1.0	-64.71	323.78	6.79	-57.92
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008189687	0	35	-1.0	-59.88	306.04	5.54	-54.34
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1	REAL300008189688	0	40	-1.0	-53.46	312.41	5.80	-47.66
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008189689	0	34	-1.0	-55.12	290.69	5.46	-49.66
CSC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189690	0	34	-1.0	-55.01	297.97	6.38	-48.63
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008189691	0	36	-1.0	-48.56	320.26	7.24	-41.32
CCN(CC1=CC=CC=C1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189692	0	41	-1.0	-61.30	337.16	7.80	-53.50
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008189693	0	36	-1.0	-55.12	294.74	4.96	-50.16
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008189694	0	35	-1.0	-52.59	283.55	5.32	-47.27
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008189695	0	42	-1.0	-63.29	356.46	7.86	-55.43
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300008189696	0	36	-1.0	-62.35	317.22	7.39	-54.96
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008189697	0	36	-1.0	-52.19	330.35	6.52	-45.67
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008189698	0	39	-1.0	-58.26	327.55	7.46	-50.80
CC1=NN(C)C2=NC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C12	REAL300008189699	0	38	-1.0	-55.78	324.12	5.01	-50.77
COCC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189700	0	37	-1.0	-61.97	317.79	5.59	-56.38
CC1(C)CC2=CC=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=C2O1	REAL300008189701	0	41	-1.0	-56.69	331.04	6.64	-50.05
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300008189702	0	33	-1.0	-53.66	297.29	6.70	-46.96
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008189703	0	38	-1.0	-65.62	315.78	5.84	-59.78
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008189704	0	33	-1.0	-50.65	303.46	6.93	-43.72
CC1CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C2O1	REAL300008189705	0	38	-1.0	-54.01	314.46	5.99	-48.02
CCC1=CC=CC(CC)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189706	0	42	-1.0	-52.14	309.17	7.63	-44.51
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189707	0	42	-1.0	-59.02	333.42	3.83	-55.19
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008189708	0	41	-1.0	-54.06	364.30	8.78	-45.28
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008189709	0	36	-1.0	-59.21	329.20	6.56	-52.65
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008189710	0	36	-1.0	-52.00	340.66	6.97	-45.03
CC1=NC(C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)=CO1	REAL300008189711	0	39	-1.0	-62.07	334.19	4.43	-57.64
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300008189712	0	33	-1.0	-46.30	279.92	3.66	-42.64
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008189713	0	33	-1.0	-66.08	292.58	6.23	-59.85
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008189714	0	33	-1.0	-61.94	289.10	4.49	-57.45
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008189715	0	38	-1.0	-61.46	316.47	6.50	-54.96
CC1=CC=C(N2C=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=N2)C=C1	REAL300008189716	0	40	-1.0	-57.55	339.79	7.11	-50.44
CC1CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300008189717	0	38	-1.0	-56.23	336.50	6.99	-49.24
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008189718	0	35	-1.0	-54.08	309.34	7.12	-46.96
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300008189719	0	41	-1.0	-62.35	345.12	6.09	-56.26
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008189720	0	32	-1.0	-56.02	289.43	4.79	-51.23
CN(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189721	0	38	-1.0	-56.90	309.29	5.76	-51.14
CC1=CC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2C=C1	REAL300008189722	0	39	-1.0	-62.72	330.02	8.80	-53.92
COC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])SC=C1	REAL300008189723	0	31	-1.0	-68.42	284.80	4.22	-64.20
CN(C)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189724	0	38	-1.0	-62.27	315.30	6.30	-55.97
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008189725	0	35	-1.0	-56.12	289.50	5.21	-50.91
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008189726	0	35	-1.0	-61.64	304.88	5.59	-56.05
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008189727	0	35	-1.0	-60.13	298.94	5.67	-54.46
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008189728	0	36	-1.0	-49.69	320.25	7.50	-42.19
CN1CCCC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C21	REAL300008189729	0	42	-1.0	-65.13	337.24	6.43	-58.70
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008189730	0	32	-1.0	-45.66	292.13	4.62	-41.04
COC1=CC=CC(OC)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189731	0	38	-1.0	-68.48	316.74	6.18	-62.30
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189732	0	38	-1.0	-44.33	307.20	6.90	-37.43
CC1=CC=C(C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300008189733	0	38	-1.0	-76.99	315.33	8.87	-68.12
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008189734	0	38	-1.0	-61.93	306.81	6.99	-54.94
COC1=CC=C(CCS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189735	0	40	-1.0	-52.66	333.03	6.28	-46.38
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300008189736	0	39	-1.0	-53.07	330.01	7.08	-45.99
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008189737	0	37	-1.0	-54.84	306.67	7.48	-47.36
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(OC)=C1	REAL300008189738	0	38	-1.0	-58.22	316.78	3.95	-54.27
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCC1CCCCC1	REAL300008189739	0	42	-1.0	-50.43	324.47	7.15	-43.28
CC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])OCO2	REAL300008189740	0	36	-1.0	-57.94	300.27	5.05	-52.89
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008189741	0	33	-1.0	-55.49	281.82	5.67	-49.82
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300008189742	0	34	-1.0	-50.46	302.98	5.25	-45.21
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008189743	0	38	-1.0	-64.28	300.29	6.87	-57.41
CCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1CC	REAL300008189744	0	42	-1.0	-61.15	339.82	8.44	-52.71
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189745	0	38	-1.0	-44.84	303.95	6.69	-38.15
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189746	0	40	-1.0	-64.98	323.20	7.26	-57.72
CC1=C(C)SC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189747	0	33	-1.0	-53.92	289.15	5.78	-48.14
NC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189748	0	31	-1.0	-49.85	273.03	3.14	-46.71
CCC1=NC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300008189749	0	32	-1.0	-57.27	292.76	4.47	-52.80
CN(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300008189750	0	37	-1.0	-57.90	306.03	5.18	-52.72
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300008189751	0	33	-1.0	-62.89	291.73	6.46	-56.43
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008189752	0	36	-1.0	-57.44	292.16	6.93	-50.51
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008189753	0	33	-1.0	-51.87	280.22	4.00	-47.87
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(C)=C1F	REAL300008189754	0	36	-1.0	-57.14	309.99	7.20	-49.94
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008189755	0	37	-1.0	-61.08	318.73	5.62	-55.46
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008189756	0	32	-1.0	-55.59	284.27	4.94	-50.65
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008189757	0	33	-1.0	-52.30	300.08	6.77	-45.53
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300008189758	0	33	-1.0	-57.17	298.19	6.97	-50.20
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008189759	0	36	-1.0	-69.90	305.69	6.39	-63.51
CC1=CSC(C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)=N1	REAL300008189760	0	39	-1.0	-56.91	344.04	6.83	-50.08
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008189761	0	38	-1.0	-65.51	313.86	6.93	-58.58
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008189762	0	37	-1.0	-65.51	327.82	3.73	-61.78
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008189763	0	39	-1.0	-53.48	314.43	5.71	-47.77
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008189764	0	33	-1.0	-53.55	303.73	6.75	-46.80
CCCCCCCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189765	0	55	-1.0	-54.42	438.13	10.29	-44.13
CCC(C)OC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189766	0	43	-1.0	-59.17	353.05	7.56	-51.61
COC(CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1CCCC1	REAL300008189767	0	43	-1.0	-51.08	328.26	5.63	-45.45
COC(CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300008189768	0	46	-1.0	-55.71	351.08	6.42	-49.29
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008189769	0	44	-1.0	-63.56	380.25	9.20	-54.36
CCOC(CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1CC1	REAL300008189770	0	40	-1.0	-50.83	322.31	5.78	-45.05
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300008189771	0	49	-1.0	-61.12	394.23	8.90	-52.22
CCC1=NC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CN1CC1CC1	REAL300008189772	0	43	-1.0	-58.97	356.78	7.69	-51.28
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008189773	0	33	-1.0	-54.19	297.15	4.87	-49.32
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008189774	0	38	-1.0	-46.02	308.36	7.24	-38.78
CN1N=CC(C2CC2)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189775	0	37	-1.0	-56.13	309.12	5.72	-50.41
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008189776	0	43	-1.0	-56.84	363.43	8.21	-48.63
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189777	0	33	-1.0	-49.77	296.72	4.01	-45.76
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008189778	0	41	-1.0	-59.33	363.32	9.95	-49.38
O=C([O-])C1C2CC2CN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008189779	0	40	-1.0	-66.51	325.95	8.79	-57.72
CCC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C(C)C=C1OC	REAL300008189780	0	43	-1.0	-55.26	331.19	6.48	-48.78
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008189781	0	36	-1.0	-49.43	328.68	7.24	-42.19
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300008189782	0	32	-1.0	-70.69	285.43	4.64	-66.05
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008189783	0	39	-1.0	-68.24	314.81	8.89	-59.35
CC(C)OC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300008189784	0	39	-1.0	-50.29	326.58	3.92	-46.37
COC1=C(F)C=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189785	0	34	-1.0	-49.90	274.82	4.94	-44.96
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300008189786	0	46	-1.0	-61.70	372.73	8.10	-53.60
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300008189787	0	42	-1.0	-57.26	335.66	7.64	-49.62
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008189788	0	49	-1.0	-55.32	385.20	10.06	-45.26
CN1N=C2CCCCC2=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189789	0	40	-1.0	-52.75	310.75	5.16	-47.59
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300008189790	0	42	-1.0	-63.23	335.40	6.11	-57.12
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008189791	0	40	-1.0	-51.41	325.26	5.66	-45.75
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189792	0	33	-1.0	-57.08	292.08	4.48	-52.60
COC1=CC=C(F)C=C1CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189793	0	37	-1.0	-58.13	318.43	5.68	-52.45
C=CCCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189794	0	40	-1.0	-54.98	334.99	8.14	-46.84
CCCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300008189795	0	52	-1.0	-61.00	415.73	9.68	-51.32
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008189796	0	34	-1.0	-61.48	311.46	7.54	-53.94
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300008189797	0	52	-1.0	-61.65	406.81	9.58	-52.07
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1CC	REAL300008189798	0	46	-1.0	-59.02	377.33	8.39	-50.63
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189799	0	36	-1.0	-53.67	302.10	7.68	-45.99
CC1=CC(Br)=CC=C1CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189800	0	36	-1.0	-49.60	317.63	7.30	-42.30
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008189801	0	34	-1.0	-60.20	308.75	7.47	-52.73
CCCC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189802	0	39	-1.0	-56.07	303.61	7.69	-48.38
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189803	0	46	-1.0	-61.83	381.02	8.74	-53.09
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008189804	0	35	-1.0	-53.67	286.77	5.47	-48.20
CC1=CSC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189805	0	33	-1.0	-49.69	270.36	5.01	-44.68
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008189806	0	37	-1.0	-57.33	307.68	4.99	-52.34
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300008189807	0	37	-1.0	-57.36	310.50	5.68	-51.68
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008189808	0	40	-1.0	-55.72	327.75	6.28	-49.44
CC1(C)COC2=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=NN2C1	REAL300008189809	0	41	-1.0	-58.32	332.09	3.30	-55.02
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008189810	0	36	-1.0	-59.87	329.58	6.79	-53.08
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300008189811	0	37	-1.0	-59.69	297.08	5.26	-54.43
CCCCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300008189812	0	55	-1.0	-61.07	437.22	10.46	-50.61
COC1=CC(C(C)C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C	REAL300008189813	0	46	-1.0	-56.11	344.64	6.76	-49.35
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189814	0	40	-1.0	-58.86	326.69	6.79	-52.07
CCOCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300008189815	0	53	-1.0	-63.49	428.21	8.32	-55.17
CC1CC2=CC=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=C2O1	REAL300008189816	0	38	-1.0	-56.54	310.44	5.98	-50.56
CC(C)(C)C1=NC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300008189817	0	38	-1.0	-54.26	325.98	5.01	-49.25
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008189818	0	36	-1.0	-61.70	314.20	6.36	-55.34
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189819	0	35	-1.0	-73.18	305.31	5.36	-67.82
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008189820	0	39	-1.0	-54.23	301.28	5.37	-48.86
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008189821	0	31	-1.0	-56.10	277.91	4.62	-51.48
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008189822	0	33	-1.0	-54.64	296.04	6.84	-47.80
CN1N=C(C2CC2)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189823	0	37	-1.0	-53.00	307.71	5.10	-47.90
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1F	REAL300008189824	0	39	-1.0	-59.24	316.25	8.02	-51.22
COC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1OC	REAL300008189825	0	38	-1.0	-52.39	307.27	5.24	-47.15
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300008189826	0	33	-1.0	-63.10	290.39	6.06	-57.04
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300008189827	0	43	-1.0	-62.62	345.22	6.53	-56.09
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189828	0	42	-1.0	-57.04	331.24	5.50	-51.54
CCCCN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=N1	REAL300008189829	0	42	-1.0	-49.40	337.80	5.60	-43.80
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2CC2)=N1	REAL300008189830	0	37	-1.0	-52.10	304.30	4.92	-47.18
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008189831	0	34	-1.0	-53.75	296.72	4.95	-48.80
CN1N=NC2=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=CC=C21	REAL300008189832	0	35	-1.0	-55.78	298.29	3.74	-52.04
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Br	REAL300008189833	0	36	-1.0	-53.71	300.95	6.66	-47.05
CC1(C)CCCN(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300008189834	0	41	-1.0	-59.87	317.22	6.21	-53.66
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008189835	0	36	-1.0	-55.32	330.84	6.98	-48.34
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300008189836	0	40	-1.0	-60.97	328.60	6.01	-54.96
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189837	0	48	-1.0	-57.29	355.85	8.64	-48.65
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008189838	0	36	-1.0	-55.57	333.94	7.74	-47.83
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008189839	0	40	-1.0	-49.70	331.69	5.95	-43.75
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008189840	0	34	-1.0	-64.35	302.40	6.98	-57.37
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008189841	0	41	-1.0	-56.89	349.32	8.07	-48.82
COC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008189842	0	39	-1.0	-73.82	328.28	6.82	-67.00
CCCC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189843	0	39	-1.0	-60.94	327.11	8.08	-52.86
CN1N=C2CCCC2=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189844	0	37	-1.0	-58.35	308.71	5.37	-52.98
CC(C)(C)N1N=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189845	0	39	-1.0	-52.85	303.61	4.89	-47.96
CC(C)(C)N1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300008189846	0	39	-1.0	-50.97	322.03	5.04	-45.93
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300008189847	0	37	-1.0	-50.34	296.18	4.03	-46.31
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300008189848	0	35	-1.0	-46.24	308.61	5.25	-40.99
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008189849	0	33	-1.0	-48.88	302.92	6.42	-42.46
CCCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189850	0	41	-1.0	-63.98	347.32	7.90	-56.08
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008189851	0	41	-1.0	-63.68	332.23	8.90	-54.78
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008189852	0	36	-1.0	-58.32	325.03	6.88	-51.44
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008189853	0	36	-1.0	-59.36	305.35	6.29	-53.07
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189854	0	40	-1.0	-51.68	354.00	6.12	-45.56
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008189855	0	30	-1.0	-45.26	265.93	4.53	-40.73
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008189856	0	37	-1.0	-63.22	311.99	7.98	-55.24
COC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=CS1	REAL300008189857	0	31	-1.0	-54.20	275.78	3.89	-50.31
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008189858	0	40	-1.0	-51.97	319.99	5.94	-46.03
CCC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189859	0	39	-1.0	-52.21	313.36	4.99	-47.22
CN(C1CCCCCC1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189860	0	44	-1.0	-60.53	334.66	6.80	-53.73
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300008189861	0	44	-1.0	-52.38	344.02	4.00	-48.38
CC(F)(F)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189862	0	36	-1.0	-57.72	315.93	7.40	-50.32
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008189863	0	34	-1.0	-62.73	301.97	5.45	-57.28
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008189864	0	45	-1.0	-59.07	358.72	8.44	-50.63
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300008189865	0	31	-1.0	-59.16	286.67	4.31	-54.85
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300008189866	0	41	-1.0	-61.43	318.43	7.91	-53.52
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008189867	0	38	-1.0	-57.49	318.70	5.94	-51.55
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300008189868	0	33	-1.0	-55.60	290.05	4.03	-51.57
CCOCC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189869	0	40	-1.0	-62.05	339.65	6.55	-55.50
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189870	0	40	-1.0	-55.25	334.91	6.61	-48.64
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008189871	0	43	-1.0	-50.78	344.25	6.25	-44.53
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008189872	0	41	-1.0	-53.73	347.01	8.26	-45.47
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(C)=C1Br	REAL300008189873	0	36	-1.0	-57.87	320.65	7.61	-50.26
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008189874	0	39	-1.0	-58.39	309.92	7.81	-50.58
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008189875	0	40	-1.0	-53.98	330.46	6.45	-47.53
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008189876	0	34	-1.0	-49.97	297.69	6.68	-43.29
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008189877	0	34	-1.0	-61.44	316.02	7.65	-53.79
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008189878	0	34	-1.0	-49.76	312.56	7.24	-42.52
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300008189879	0	35	-1.0	-55.93	303.36	-0.54	-56.47
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008189880	0	33	-1.0	-65.01	288.61	6.26	-58.75
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300008189881	0	36	-1.0	-50.55	289.55	5.73	-44.82
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008189882	0	32	-1.0	-65.48	294.03	5.22	-60.26
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCOC1CCOC1	REAL300008189883	0	38	-1.0	-50.12	312.51	2.74	-47.38
CC1=NC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008189884	0	39	-1.0	-58.52	331.24	5.08	-53.44
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008189885	0	47	-1.0	-52.96	334.78	8.36	-44.60
CC1(C)COC(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300008189886	0	40	-1.0	-54.34	319.94	4.79	-49.55
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300008189887	0	33	-1.0	-66.82	293.58	1.58	-65.24
CC(C)(CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C(C)(F)F	REAL300008189888	0	38	-1.0	-52.01	297.25	5.88	-46.13
CS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189889	0	38	-1.0	-66.74	332.62	2.67	-64.07
CC1(C)CCC(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])OC1	REAL300008189890	0	43	-1.0	-57.81	334.37	5.79	-52.02
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008189891	0	34	-1.0	-54.44	308.07	4.57	-49.87
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008189892	0	40	-1.0	-55.06	340.14	8.35	-46.71
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008189893	0	39	-1.0	-54.59	314.34	2.94	-51.65
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008189894	0	43	-1.0	-53.44	327.66	7.53	-45.91
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008189895	0	34	-1.0	-61.95	306.79	7.18	-54.77
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C21	REAL300008189896	0	52	-1.0	-61.52	392.42	10.05	-51.47
COC1=CC=C(C=C(C)S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189897	0	41	-1.0	-53.23	334.34	6.38	-46.85
COC1=CSC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1OC	REAL300008189898	0	35	-1.0	-62.23	315.73	3.92	-58.31
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008189899	0	42	-1.0	-60.10	322.71	6.33	-53.77
CN(CCC1=CC=CC=C1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189900	0	41	-1.0	-58.25	339.02	7.55	-50.70
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008189901	0	34	-1.0	-59.14	300.72	6.11	-53.03
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(F)=C1	REAL300008189902	0	34	-1.0	-62.23	300.86	5.38	-56.85
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008189903	0	34	-1.0	-56.29	299.97	4.94	-51.35
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189904	0	36	-1.0	-54.69	296.11	4.99	-49.70
CN1C=CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C21	REAL300008189905	0	37	-1.0	-64.50	316.77	7.59	-56.91
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008189906	0	39	-1.0	-54.18	336.45	5.90	-48.28
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189907	0	43	-1.0	-64.01	356.08	8.18	-55.83
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008189908	0	41	-1.0	-59.82	353.20	8.74	-51.08
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189909	0	36	-1.0	-53.94	282.79	6.07	-47.87
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008189910	0	31	-1.0	-48.03	294.97	4.19	-43.84
C=C(C)COC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189911	0	41	-1.0	-67.35	346.36	7.49	-59.86
CCN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2CC2)=N1	REAL300008189912	0	40	-1.0	-52.05	325.72	5.79	-46.26
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300008189913	0	34	-1.0	-70.96	296.33	4.93	-66.03
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008189914	0	36	-1.0	-54.21	319.87	8.21	-46.00
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008189915	0	40	-1.0	-54.29	348.73	9.29	-45.00
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008189916	0	29	-1.0	-54.64	280.73	4.31	-50.33
CCC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1Br	REAL300008189917	0	36	-1.0	-56.78	321.82	7.75	-49.03
CC1=NN(C2CCCC2)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189918	0	43	-1.0	-53.84	340.37	6.30	-47.54
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300008189919	0	27	-1.0	-55.16	271.55	5.37	-49.79
COCCC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189920	0	44	-1.0	-58.21	356.55	5.67	-52.54
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008189921	0	36	-1.0	-51.97	304.87	7.74	-44.23
CN1N=C2CCOCC2=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189922	0	38	-1.0	-51.69	302.77	2.74	-48.95
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008189923	0	37	-1.0	-55.69	280.57	6.67	-49.02
CC1(C)CCN(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300008189924	0	41	-1.0	-58.55	315.66	5.93	-52.62
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008189925	0	45	-1.0	-53.83	360.62	5.81	-48.02
COC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189926	0	33	-1.0	-49.94	294.51	3.01	-46.93
COC1=NC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C	REAL300008189927	0	36	-1.0	-53.58	304.39	2.75	-50.83
CC(C)CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300008189928	0	39	-1.0	-57.48	320.32	5.48	-52.00
CC1=NN(C(C)C)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189929	0	39	-1.0	-50.50	313.46	4.58	-45.92
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008189930	0	40	-1.0	-60.23	327.33	3.63	-56.60
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008189931	0	35	-1.0	-57.71	306.44	7.35	-50.36
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])N=C1	REAL300008189932	0	41	-1.0	-59.58	335.52	6.23	-53.35
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300008189933	0	37	-1.0	-55.56	309.39	6.08	-49.48
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008189934	0	37	-1.0	-56.64	307.42	6.42	-50.22
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008189935	0	32	-1.0	-58.64	291.31	4.77	-53.87
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300008189936	0	35	-1.0	-63.53	297.97	6.23	-57.30
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=NN1C(C)C	REAL300008189937	0	39	-1.0	-58.49	314.74	4.98	-53.51
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300008189938	0	44	-1.0	-54.35	368.37	9.02	-45.33
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008189939	0	35	-1.0	-58.28	292.34	6.25	-52.03
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CC=C(Br)CC1	REAL300008189940	0	33	-1.0	-56.40	294.23	5.53	-50.87
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189941	0	38	-1.0	-63.34	320.83	1.68	-61.66
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300008189942	0	37	-1.0	-58.14	293.94	3.94	-54.20
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C(F)F)=C1	REAL300008189943	0	37	-1.0	-68.00	308.20	6.19	-61.81
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189944	0	36	-1.0	-51.73	319.05	3.55	-48.18
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008189945	0	35	-1.0	-52.19	284.20	5.36	-46.83
CCOC1=CC=CN=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300008189946	0	36	-1.0	-73.30	308.68	5.07	-68.23
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300008189947	0	38	-1.0	-62.90	312.35	6.91	-55.99
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300008189948	0	34	-1.0	-67.95	294.04	5.73	-62.22
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008189949	0	32	-1.0	-56.58	286.54	4.74	-51.84
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008189950	0	37	-1.0	-48.08	325.77	6.14	-41.94
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300008189951	0	43	-1.0	-56.50	341.10	7.37	-49.13
CC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008189952	0	37	-1.0	-61.14	311.59	5.54	-55.60
CCC(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008189953	0	44	-1.0	-54.68	350.12	7.38	-47.30
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Cl)S1)C1CC1	REAL300008189954	0	29	-1.0	-52.30	280.25	4.43	-47.87
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008189955	0	39	-1.0	-58.67	311.14	4.59	-54.08
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008189956	0	35	-1.0	-54.31	313.05	5.80	-48.51
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C1CC1	REAL300008189957	0	36	-1.0	-56.23	302.03	4.28	-51.95
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008189958	0	38	-1.0	-59.61	332.13	2.33	-57.28
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C1CC1	REAL300008189959	0	36	-1.0	-51.18	317.44	4.60	-46.58
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1OC	REAL300008189960	0	43	-1.0	-55.54	350.62	4.34	-51.20
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008189961	0	35	-1.0	-51.39	308.48	5.68	-45.71
CN(C1CCCCC1)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008189962	0	43	-1.0	-53.75	331.79	4.71	-49.04
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008189963	0	38	-1.0	-47.52	312.33	3.09	-44.43
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C1CC1	REAL300008189964	0	48	-1.0	-54.34	373.29	8.61	-45.73
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C1CC1	REAL300008189965	0	38	-1.0	-56.88	315.93	3.96	-52.92
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C1CC1	REAL300008189966	0	32	-1.0	-39.90	288.03	5.07	-34.83
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C1CC1	REAL300008189967	0	32	-1.0	-52.26	290.10	5.67	-46.59
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008189968	0	37	-1.0	-60.86	311.26	6.60	-54.26
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1CC1	REAL300008189969	0	38	-1.0	-55.47	337.97	6.38	-49.09
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008189970	0	42	-1.0	-67.20	359.94	0.89	-66.31
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008189971	0	43	-1.0	-53.92	353.91	6.64	-47.28
CC1=CC(F)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008189972	0	35	-1.0	-54.62	299.94	5.52	-49.10
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1CC1	REAL300008189973	0	38	-1.0	-53.84	322.88	4.77	-49.07
COCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008189974	0	39	-1.0	-55.93	326.50	4.54	-51.39
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300008189975	0	38	-1.0	-52.09	321.39	2.37	-49.72
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008189976	0	41	-1.0	-68.40	356.48	3.01	-65.39
CS(=O)(=O)CCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008189977	0	37	-1.0	-71.30	324.97	0.41	-70.89
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1C	REAL300008189978	0	42	-1.0	-54.29	337.40	5.10	-49.19
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C1CC1	REAL300008189979	0	37	-1.0	-56.69	335.53	4.73	-51.96
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C1CC1	REAL300008189980	0	35	-1.0	-56.32	321.04	5.71	-50.61
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1CC1	REAL300008189981	0	37	-1.0	-56.59	313.16	5.17	-51.42
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300008189982	0	42	-1.0	-61.80	353.76	0.08	-61.72
CN(C1CCOCC1)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008189983	0	41	-1.0	-53.51	322.69	2.31	-51.20
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=NN1C1=CC=CC=N1	REAL300008189984	0	41	-1.0	-56.12	350.72	5.55	-50.57
CCN1N=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C	REAL300008189985	0	41	-1.0	-52.42	337.52	4.24	-48.18
CC(C)N1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300008189986	0	38	-1.0	-53.18	316.66	3.84	-49.34
CC(C)CN1C=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008189987	0	41	-1.0	-63.10	333.31	6.27	-56.83
CC(C)N1C=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008189988	0	38	-1.0	-62.36	314.20	5.40	-56.96
CC(C)C1=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN1	REAL300008189989	0	38	-1.0	-62.37	315.51	3.19	-59.18
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008189990	0	44	-1.0	-57.80	326.28	7.12	-50.68
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C1CC1	REAL300008189991	0	45	-1.0	-49.99	381.38	7.07	-42.92
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008189992	0	40	-1.0	-68.39	334.97	4.46	-63.93
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1OC	REAL300008189993	0	40	-1.0	-42.08	343.43	4.11	-37.97
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300008189994	0	35	-1.0	-54.72	310.95	6.00	-48.72
CC1=C(F)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008189995	0	35	-1.0	-51.92	296.88	5.20	-46.72
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C1CC1	REAL300008189996	0	38	-1.0	-41.99	332.57	6.89	-35.10
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C1CC1	REAL300008189997	0	37	-1.0	-48.47	329.02	6.40	-42.07
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C1CC1	REAL300008189998	0	36	-1.0	-52.99	316.92	4.45	-48.54
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C1CC1	REAL300008189999	0	39	-1.0	-54.38	328.31	5.73	-48.65
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190000	0	47	-1.0	-52.30	369.61	5.24	-47.06
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190005	0	36	-1.0	-57.02	296.12	4.00	-53.02
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190006	0	43	-1.0	-61.11	367.69	4.38	-56.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300008190007	0	43	-1.0	-57.28	364.36	1.75	-55.53
O=C([O-])C[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C1CC1	REAL300008190008	0	50	-1.0	-54.41	361.70	5.79	-48.62
CC1=NC2=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=CC=C2C=C1	REAL300008190009	0	40	-1.0	-63.67	319.82	5.56	-58.11
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300008190010	0	40	-1.0	-65.28	340.91	6.28	-59.00
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C1CC1	REAL300008190011	0	43	-1.0	-55.44	348.32	3.28	-52.16
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190012	0	46	-1.0	-61.29	377.79	5.01	-56.28
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190013	0	46	-1.0	-60.91	394.85	5.51	-55.40
CCCN1C=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190014	0	38	-1.0	-62.68	319.02	5.52	-57.16
COCCOCCOCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190015	0	46	-1.0	-57.50	384.46	1.69	-55.81
CC(COC1CCCC1)CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190016	0	48	-1.0	-57.80	376.81	5.73	-52.07
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190017	0	39	-1.0	-52.70	340.39	5.09	-47.61
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1CC1	REAL300008190018	0	40	-1.0	-52.86	329.95	2.51	-50.35
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190019	0	36	-1.0	-53.02	322.24	4.73	-48.29
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C1CC1	REAL300008190020	0	36	-1.0	-52.06	301.73	4.12	-47.94
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300008190021	0	38	-1.0	-50.71	326.96	5.55	-45.16
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190022	0	38	-1.0	-50.64	330.70	6.14	-44.50
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190023	0	38	-1.0	-54.87	330.82	6.19	-48.68
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1C(F)(F)F	REAL300008190024	0	38	-1.0	-50.94	325.86	6.32	-44.62
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190025	0	41	-1.0	-56.51	328.92	6.28	-50.23
O=C([O-])C[C@H](NS(=O)(=O)CCCN1CCOCC1)C1CC1	REAL300008190026	0	44	-1.0	-57.99	349.67	1.34	-56.65
CCOC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190027	0	39	-1.0	-55.26	320.16	5.27	-49.99
COCCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300008190028	0	39	-1.0	-52.89	331.64	2.37	-50.52
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C1CC1	REAL300008190029	0	39	-1.0	-59.20	335.80	5.35	-53.85
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C	REAL300008190030	0	59	-1.0	-53.20	465.75	8.92	-44.28
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300008190031	0	40	-1.0	-58.34	349.46	6.54	-51.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C1CC1	REAL300008190032	0	37	-1.0	-55.68	313.41	5.07	-50.61
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C1CC1	REAL300008190033	0	35	-1.0	-57.76	321.03	5.70	-52.06
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C1CC1	REAL300008190034	0	35	-1.0	-56.51	316.53	5.65	-50.86
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C1CC1	REAL300008190035	0	39	-1.0	-67.36	336.73	2.66	-64.70
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190036	0	35	-1.0	-53.98	314.83	6.06	-47.92
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190037	0	35	-1.0	-51.79	309.64	5.70	-46.09
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190038	0	39	-1.0	-53.20	323.42	4.37	-48.83
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Br	REAL300008190039	0	36	-1.0	-51.25	321.37	4.78	-46.47
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300008190040	0	40	-1.0	-56.83	335.19	3.80	-53.03
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1CC1	REAL300008190041	0	35	-1.0	-58.58	315.81	3.80	-54.78
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1CC1	REAL300008190042	0	35	-1.0	-56.31	310.93	3.57	-52.74
CC1(C)CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C2O1	REAL300008190043	0	43	-1.0	-54.34	348.90	6.05	-48.29
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C1CC1	REAL300008190044	0	35	-1.0	-57.59	307.61	3.21	-54.38
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190045	0	43	-1.0	-60.04	339.63	2.23	-57.81
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190046	0	44	-1.0	-57.87	375.11	4.02	-53.85
CSC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190047	0	36	-1.0	-58.49	313.06	5.37	-53.12
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300008190048	0	40	-1.0	-57.41	351.08	1.55	-55.86
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190049	0	46	-1.0	-55.95	390.57	2.60	-53.35
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190050	0	43	-1.0	-62.69	344.82	3.88	-58.81
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300008190051	0	43	-1.0	-56.46	372.54	2.44	-54.02
CCC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190052	0	41	-1.0	-57.65	342.64	6.53	-51.12
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CS1)C1CC1	REAL300008190053	0	35	-1.0	-55.53	311.47	4.96	-50.57
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C1CC1	REAL300008190054	0	47	-1.0	-57.37	385.20	5.24	-52.13
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C1CC1	REAL300008190055	0	44	-1.0	-56.36	368.22	4.32	-52.04
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190056	0	41	-1.0	-59.25	353.60	3.22	-56.03
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190057	0	42	-1.0	-66.33	350.43	1.45	-64.88
CC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300008190058	0	41	-1.0	-58.21	338.15	6.29	-51.92
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300008190059	0	39	-1.0	-52.39	343.21	5.69	-46.70
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C1=CC=CC=C1	REAL300008190060	0	46	-1.0	-57.59	379.63	7.86	-49.73
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C1CC1	REAL300008190061	0	36	-1.0	-51.94	312.06	4.57	-47.37
COC1=CC=C(Br)C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190062	0	39	-1.0	-57.52	345.92	4.95	-52.57
CC1(C)CN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CCO1	REAL300008190063	0	41	-1.0	-42.18	326.28	2.73	-39.45
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2S1	REAL300008190064	0	46	-1.0	-53.67	385.12	6.73	-46.94
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190065	0	39	-1.0	-56.71	329.18	5.11	-51.60
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300008190066	0	44	-1.0	-54.95	362.86	6.31	-48.64
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190067	0	39	-1.0	-61.33	339.84	-0.88	-62.21
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)OC2=CC=C(F)C=C12	REAL300008190068	0	38	-1.0	-54.89	324.89	6.14	-48.75
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C1CC1	REAL300008190069	0	35	-1.0	-53.32	326.83	6.73	-46.59
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC(Cl)=CC=C2S1	REAL300008190070	0	38	-1.0	-55.37	346.11	7.18	-48.19
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C1CC1	REAL300008190071	0	35	-1.0	-53.12	330.59	6.13	-46.99
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C1CC1	REAL300008190072	0	38	-1.0	-45.12	334.90	6.98	-38.14
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C1CC1	REAL300008190073	0	38	-1.0	-56.98	332.45	6.60	-50.38
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C1CC1	REAL300008190074	0	43	-1.0	-57.45	357.13	5.71	-51.74
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C1CC1	REAL300008190075	0	46	-1.0	-58.90	371.52	7.26	-51.64
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190076	0	45	-1.0	-58.62	378.85	6.37	-52.25
O=C([O-])C[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C1CC1	REAL300008190077	0	43	-1.0	-61.18	375.99	1.43	-59.75
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CC(C)=C2S1	REAL300008190078	0	41	-1.0	-54.62	349.60	7.30	-47.32
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1N(C)C	REAL300008190079	0	43	-1.0	-55.89	346.35	5.46	-50.43
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C1CC1	REAL300008190080	0	38	-1.0	-57.08	337.43	6.31	-50.77
O=C([O-])C[C@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C1CC1	REAL300008190081	0	37	-1.0	-59.25	299.63	0.88	-58.37
O=C([O-])C[C@H](NS(=O)(=O)CCOCC1CCCC1)C1CC1	REAL300008190082	0	45	-1.0	-53.70	360.72	4.84	-48.86
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300008190083	0	39	-1.0	-54.67	338.28	4.85	-49.82
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190084	0	41	-1.0	-70.43	360.42	2.60	-67.83
CSC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300008190085	0	36	-1.0	-52.12	326.66	6.28	-45.84
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190086	0	44	-1.0	-52.75	350.76	4.75	-48.00
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C1CC1	REAL300008190087	0	40	-1.0	-52.20	343.50	3.31	-48.89
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C12	REAL300008190088	0	39	-1.0	-49.73	332.72	2.48	-47.25
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C1CC1	REAL300008190089	0	43	-1.0	-49.90	368.03	4.60	-45.30
CN1N=CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CN=C21	REAL300008190090	0	37	-1.0	-52.24	316.42	3.89	-48.35
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1CC1	REAL300008190091	0	38	-1.0	-53.44	339.14	7.65	-45.79
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(CC)=C1	REAL300008190092	0	50	-1.0	-52.20	373.94	9.31	-42.89
O=C([O-])C[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C1CC1	REAL300008190093	0	39	-1.0	-63.75	317.51	4.77	-58.98
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C1CC1	REAL300008190094	0	38	-1.0	-51.30	340.96	2.83	-48.47
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C1CC1	REAL300008190095	0	41	-1.0	-65.68	343.36	8.10	-57.58
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1F	REAL300008190096	0	39	-1.0	-52.04	326.65	4.47	-47.57
CC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CCCCC1	REAL300008190097	0	44	-1.0	-56.75	325.81	5.87	-50.88
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C1CC1	REAL300008190098	0	41	-1.0	-55.03	337.18	5.62	-49.41
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1CC1	REAL300008190100	0	40	-1.0	-51.65	340.93	6.00	-45.65
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190101	0	39	-1.0	-54.84	343.98	5.03	-49.81
CC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300008190102	0	38	-1.0	-58.11	326.46	5.79	-52.32
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C1CC1	REAL300008190104	0	32	-1.0	-51.70	303.66	4.97	-46.73
O=C([O-])C[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C1CC1	REAL300008190105	0	45	-1.0	-57.73	364.73	7.66	-50.07
CC(C)(C)C1=CC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=NO1	REAL300008190106	0	43	-1.0	-57.97	357.87	5.10	-52.87
O=C([O-])C[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C1CC1	REAL300008190107	0	41	-1.0	-66.32	337.12	1.54	-64.78
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC1	REAL300008190108	0	35	-1.0	-53.77	307.89	5.35	-48.42
CC1=C(CCS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)SC=N1	REAL300008190109	0	37	-1.0	-55.94	325.20	3.61	-52.33
O=C([O-])C[C@H](NS(=O)(=O)CC12CCC(CC1)C2)C1CC1	REAL300008190110	0	42	-1.0	-58.12	324.33	5.75	-52.37
COC1=CC=C2C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)CCC2=C1	REAL300008190111	0	44	-1.0	-54.27	361.15	5.96	-48.31
O=C([O-])C[C@H](NS(=O)(=O)CC12CCC(CC1)CC2)C1CC1	REAL300008190112	0	45	-1.0	-57.74	333.41	6.38	-51.36
CC(C)(CCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)S(C)(=O)=O	REAL300008190113	0	43	-1.0	-64.78	349.22	1.49	-63.29
O=C([O-])C[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C1CC1	REAL300008190114	0	41	-1.0	-53.90	329.51	5.54	-48.36
O=C([O-])C[C@H](NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1CC1	REAL300008190115	0	39	-1.0	-56.42	326.61	6.47	-49.95
CCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300008190116	0	40	-1.0	-52.89	334.64	6.61	-46.28
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C1CC1	REAL300008190117	0	32	-1.0	-51.48	285.53	5.56	-45.92
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C1CC1	REAL300008190118	0	32	-1.0	-51.29	290.10	5.66	-45.63
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300008190119	0	34	-1.0	-50.01	299.66	5.48	-44.53
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C1CC1	REAL300008190120	0	38	-1.0	-55.85	317.89	7.05	-48.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300008190121	0	34	-1.0	-52.80	297.03	5.72	-47.08
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190122	0	37	-1.0	-57.86	320.18	5.82	-52.04
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300008190123	0	34	-1.0	-61.52	294.00	5.79	-55.73
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190124	0	39	-1.0	-57.04	327.18	5.26	-51.78
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190125	0	39	-1.0	-54.00	322.78	5.03	-48.97
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C	REAL300008190126	0	44	-1.0	-53.10	339.04	6.99	-46.11
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1	REAL300008190127	0	41	-1.0	-52.96	325.04	7.01	-45.95
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190128	0	47	-1.0	-55.92	368.16	7.47	-48.45
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300008190129	0	35	-1.0	-52.48	310.17	5.80	-46.68
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C1CC1	REAL300008190130	0	35	-1.0	-56.34	300.80	5.73	-50.61
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1)C1CC1	REAL300008190131	0	32	-1.0	-52.38	285.53	5.57	-46.81
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190132	0	37	-1.0	-57.91	314.20	5.29	-52.62
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300008190133	0	38	-1.0	-60.09	326.95	5.55	-54.54
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190134	0	44	-1.0	-54.70	347.69	7.13	-47.57
CC(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190135	0	41	-1.0	-54.74	331.71	6.73	-48.01
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190136	0	43	-1.0	-56.05	367.03	2.80	-53.25
CCCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190137	0	41	-1.0	-54.91	335.84	7.02	-47.89
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300008190138	0	36	-1.0	-52.69	321.36	4.77	-47.92
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Br	REAL300008190139	0	35	-1.0	-51.81	310.92	5.99	-45.82
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2)=C1	REAL300008190140	0	46	-1.0	-53.00	381.77	8.32	-44.68
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C1CC1	REAL300008190141	0	36	-1.0	-50.75	317.43	4.60	-46.15
CC1=C(C)C(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1C	REAL300008190142	0	47	-1.0	-53.80	352.69	7.40	-46.40
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C1CC1	REAL300008190143	0	41	-1.0	-54.93	334.28	4.75	-50.18
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190144	0	48	-1.0	-58.62	365.76	6.23	-52.39
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300008190145	0	37	-1.0	-58.98	319.10	6.07	-52.91
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190146	0	36	-1.0	-56.42	311.02	4.55	-51.87
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190147	0	50	-1.0	-52.34	379.83	8.67	-43.67
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300008190148	0	35	-1.0	-51.08	310.18	5.81	-45.27
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C1CC1	REAL300008190149	0	42	-1.0	-55.10	331.51	7.54	-47.56
COC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190150	0	40	-1.0	-59.66	319.19	3.22	-56.44
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1OC	REAL300008190151	0	40	-1.0	-54.60	330.19	4.01	-50.59
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CCCC2=C1)C1CC1	REAL300008190152	0	39	-1.0	-55.99	316.99	6.71	-49.28
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C1CC1	REAL300008190153	0	40	-1.0	-54.16	331.70	6.66	-47.50
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2OCCC2=C1)C1CC1	REAL300008190154	0	37	-1.0	-54.44	307.35	4.66	-49.78
CC(C)CCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190155	0	47	-1.0	-54.87	374.90	8.31	-46.56
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1OCC	REAL300008190156	0	46	-1.0	-54.18	373.89	5.85	-48.33
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190157	0	37	-1.0	-57.62	325.69	-0.24	-57.86
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC([N+](=O)[O-])=C1C	REAL300008190158	0	40	-1.0	-52.49	332.71	6.46	-46.03
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C	REAL300008190159	0	40	-1.0	-57.02	337.02	6.36	-50.66
CC1=CC2=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=C2N=C1	REAL300008190160	0	40	-1.0	-62.51	324.40	5.82	-56.69
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C([N+](=O)[O-])=C1	REAL300008190161	0	38	-1.0	-57.58	323.30	5.09	-52.49
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190162	0	36	-1.0	-54.43	306.50	4.43	-50.00
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190163	0	37	-1.0	-58.25	325.68	-0.24	-58.49
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C1CC1	REAL300008190164	0	44	-1.0	-58.00	380.46	2.65	-55.35
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190165	0	40	-1.0	-55.85	345.86	5.56	-50.29
O=C([O-])C[C@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C1CC1	REAL300008190166	0	41	-1.0	-54.43	337.52	5.71	-48.72
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CN=C12	REAL300008190167	0	40	-1.0	-54.81	333.33	5.52	-49.29
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300008190168	0	40	-1.0	-59.75	332.37	6.98	-52.77
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190169	0	43	-1.0	-57.35	366.23	2.85	-54.50
O=C([O-])C[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C1CC1	REAL300008190170	0	44	-1.0	-66.04	353.97	4.31	-61.73
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190171	0	38	-1.0	-60.10	332.18	2.33	-57.77
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C1CC1	REAL300008190172	0	42	-1.0	-57.09	342.97	8.18	-48.91
CC1CC(C)CN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C1	REAL300008190173	0	43	-1.0	-53.41	327.97	4.55	-48.86
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C1CC1	REAL300008190174	0	38	-1.0	-57.49	318.04	6.59	-50.90
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1CC1	REAL300008190175	0	42	-1.0	-55.32	345.63	8.22	-47.10
CC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190176	0	35	-1.0	-55.05	298.15	5.24	-49.81
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=CC=C12	REAL300008190177	0	46	-1.0	-54.97	371.51	6.46	-48.51
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C1CC1	REAL300008190178	0	33	-1.0	-58.83	290.75	2.54	-56.29
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190179	0	36	-1.0	-56.60	306.45	4.45	-52.15
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190180	0	47	-1.0	-54.67	361.91	7.60	-47.07
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300008190181	0	35	-1.0	-54.82	306.91	5.91	-48.91
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190182	0	42	-1.0	-54.00	341.48	5.67	-48.33
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C1CC1	REAL300008190183	0	35	-1.0	-57.81	316.47	5.60	-52.21
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=NON=C21)C1CC1	REAL300008190184	0	33	-1.0	-59.01	284.35	2.88	-56.13
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C1CC1	REAL300008190185	0	37	-1.0	-53.33	332.93	6.82	-46.51
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C1CC1	REAL300008190186	0	37	-1.0	-62.93	303.21	5.17	-57.76
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1CC1	REAL300008190187	0	43	-1.0	-54.79	375.66	8.11	-46.68
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190188	0	38	-1.0	-52.28	317.99	4.58	-47.70
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300008190189	0	36	-1.0	-52.80	307.17	4.17	-48.63
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300008190190	0	35	-1.0	-55.31	298.17	5.51	-49.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C1CC1	REAL300008190191	0	43	-1.0	-52.24	377.79	8.20	-44.04
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2)C=C1	REAL300008190192	0	47	-1.0	-53.33	389.85	6.92	-46.41
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C(C)C)=C1	REAL300008190193	0	59	-1.0	-53.31	439.24	10.36	-42.95
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300008190194	0	48	-1.0	-45.67	385.93	7.36	-38.31
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C1CC1	REAL300008190195	0	35	-1.0	-56.99	331.66	6.06	-50.93
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300008190196	0	42	-1.0	-46.01	346.52	5.82	-40.19
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190197	0	37	-1.0	-49.62	319.98	5.84	-43.78
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190198	0	37	-1.0	-51.38	315.78	5.56	-45.82
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190199	0	40	-1.0	-57.92	337.46	6.69	-51.23
CC(C)CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190200	0	44	-1.0	-55.06	352.64	7.49	-47.57
COCCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190201	0	42	-1.0	-55.01	348.01	5.32	-49.69
COCCN(CCOC)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190202	0	44	-1.0	-53.49	346.92	2.10	-51.39
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190203	0	35	-1.0	-54.39	308.48	5.69	-48.70
COC1=C(C)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300008190204	0	42	-1.0	-52.50	352.12	5.19	-47.31
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190205	0	48	-1.0	-53.82	383.36	7.13	-46.69
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C1CC1	REAL300008190206	0	46	-1.0	-53.60	366.83	7.01	-46.59
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190207	0	45	-1.0	-54.09	364.39	6.53	-47.56
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190208	0	42	-1.0	-54.02	344.29	5.83	-48.19
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300008190209	0	36	-1.0	-52.66	316.97	4.66	-48.00
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C1CC1	REAL300008190210	0	36	-1.0	-53.25	326.73	4.93	-48.32
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300008190211	0	39	-1.0	-54.48	321.00	4.85	-49.63
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1OC(C)C	REAL300008190212	0	45	-1.0	-54.20	361.43	6.41	-47.79
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1	REAL300008190213	0	39	-1.0	-53.91	321.41	4.44	-49.47
COCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190214	0	43	-1.0	-56.32	356.42	4.30	-52.02
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC=C1F)C1CC1	REAL300008190215	0	35	-1.0	-58.27	305.05	5.11	-53.16
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190216	0	35	-1.0	-51.31	313.04	5.79	-45.52
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C	REAL300008190217	0	40	-1.0	-59.96	327.03	7.10	-52.86
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190218	0	41	-1.0	-63.42	352.47	2.70	-60.72
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1CC1	REAL300008190219	0	44	-1.0	-55.99	380.44	2.65	-53.34
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190220	0	40	-1.0	-56.59	348.04	0.98	-55.61
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190221	0	40	-1.0	-55.79	335.66	2.61	-53.18
CC1=NC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300008190222	0	34	-1.0	-54.47	284.90	2.99	-51.48
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC2=CC=CC=C21)C1CC1	REAL300008190223	0	35	-1.0	-53.41	313.83	5.59	-47.82
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1F	REAL300008190224	0	36	-1.0	-51.40	307.17	4.18	-47.22
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C1CC1	REAL300008190225	0	42	-1.0	-56.18	345.65	8.22	-47.96
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C1CC1	REAL300008190226	0	35	-1.0	-55.63	333.21	6.10	-49.53
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)S2)=CS1	REAL300008190227	0	38	-1.0	-54.97	350.56	5.35	-49.62
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C1CC1	REAL300008190228	0	52	-1.0	-53.25	406.02	8.42	-44.83
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190229	0	40	-1.0	-49.65	338.97	5.60	-44.05
CNC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN1C	REAL300008190230	0	40	-1.0	-55.18	342.64	1.93	-53.25
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1	REAL300008190231	0	42	-1.0	-52.40	333.64	5.07	-47.33
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C1CC1	REAL300008190232	0	43	-1.0	-55.44	355.67	8.92	-46.52
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300008190233	0	42	-1.0	-54.84	341.47	5.18	-49.66
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CN=C2C=C1	REAL300008190234	0	40	-1.0	-53.36	322.27	5.25	-48.11
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C1CC1	REAL300008190235	0	37	-1.0	-57.24	313.40	4.79	-52.45
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)=C2	REAL300008190236	0	45	-1.0	-59.49	371.27	8.64	-50.85
CCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300008190237	0	37	-1.0	-56.10	327.09	5.02	-51.08
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C1CC1	REAL300008190238	0	39	-1.0	-54.81	342.36	5.49	-49.32
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1CC1	REAL300008190239	0	46	-1.0	-54.78	382.70	8.08	-46.70
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190240	0	40	-1.0	-61.24	334.54	6.07	-55.17
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1CC1	REAL300008190241	0	42	-1.0	-53.71	357.86	6.32	-47.39
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2NC=CC=C12)C1CC1	REAL300008190242	0	35	-1.0	-69.85	306.57	3.49	-66.36
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190243	0	54	-1.0	-55.13	409.84	7.32	-47.81
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190244	0	40	-1.0	-59.44	349.10	1.42	-58.02
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1)C1CC1	REAL300008190245	0	35	-1.0	-58.49	306.15	5.16	-53.33
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300008190246	0	45	-1.0	-45.87	368.37	6.75	-39.12
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190247	0	42	-1.0	-59.29	327.34	5.30	-53.99
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C1CC1	REAL300008190248	0	37	-1.0	-63.02	317.08	5.22	-57.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C1CC1	REAL300008190249	0	39	-1.0	-55.19	331.74	5.86	-49.33
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190250	0	46	-1.0	-55.87	378.26	5.27	-50.60
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190251	0	48	-1.0	-53.96	387.28	7.39	-46.57
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C1CC1	REAL300008190252	0	42	-1.0	-55.44	332.56	6.89	-48.55
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C1CC1	REAL300008190253	0	38	-1.0	-57.08	324.44	6.18	-50.90
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C1CC1	REAL300008190254	0	36	-1.0	-51.01	327.83	6.27	-44.74
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2COCC2=C1)C1CC1	REAL300008190255	0	37	-1.0	-53.76	308.10	4.08	-49.68
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C1CC1	REAL300008190256	0	40	-1.0	-63.23	339.63	5.62	-57.61
O=C([O-])C[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C1CC1	REAL300008190257	0	38	-1.0	-42.44	311.18	0.32	-42.12
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C1CC1	REAL300008190258	0	37	-1.0	-56.23	319.72	4.98	-51.25
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1	REAL300008190259	0	42	-1.0	-53.57	343.27	5.37	-48.20
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190260	0	40	-1.0	-60.45	348.05	0.98	-59.47
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C1CC1	REAL300008190261	0	36	-1.0	-54.91	295.32	4.05	-50.86
CSC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190262	0	36	-1.0	-54.41	311.65	5.83	-48.58
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300008190263	0	38	-1.0	-58.72	338.46	6.08	-52.64
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190264	0	43	-1.0	-56.72	342.91	6.54	-50.18
CCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)N=C1C	REAL300008190265	0	38	-1.0	-59.39	317.30	4.46	-54.93
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C1CC1	REAL300008190266	0	38	-1.0	-57.22	321.03	3.92	-53.30
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C1CC1	REAL300008190267	0	37	-1.0	-54.52	313.19	4.74	-49.78
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C1CC1	REAL300008190268	0	44	-1.0	-56.00	370.96	6.24	-49.76
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300008190269	0	38	-1.0	-55.41	325.86	6.33	-49.08
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C1CC1	REAL300008190270	0	38	-1.0	-57.74	344.54	5.67	-52.07
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C1CC1	REAL300008190271	0	41	-1.0	-56.96	333.66	6.64	-50.32
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C12	REAL300008190272	0	40	-1.0	-53.30	338.55	4.44	-48.86
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190273	0	39	-1.0	-58.47	344.63	4.97	-53.50
COCC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190274	0	39	-1.0	-56.45	323.87	4.77	-51.68
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=C2O1	REAL300008190275	0	43	-1.0	-60.84	339.08	5.32	-55.52
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C1CC1	REAL300008190276	0	35	-1.0	-56.85	313.32	5.53	-51.32
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C1CC1	REAL300008190277	0	44	-1.0	-69.88	368.08	3.31	-66.57
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C1CC1	REAL300008190278	0	39	-1.0	-56.45	345.74	4.88	-51.57
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1CC1	REAL300008190279	0	40	-1.0	-57.36	337.80	4.73	-52.63
O=C([O-])C[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C1CC1	REAL300008190280	0	35	-1.0	-56.68	326.80	5.99	-50.69
CC1CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C2O1	REAL300008190281	0	40	-1.0	-54.16	328.47	5.42	-48.74
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190282	0	44	-1.0	-53.15	334.86	7.44	-45.71
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190283	0	44	-1.0	-60.54	364.96	3.32	-57.22
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1CC1	REAL300008190284	0	43	-1.0	-54.16	377.80	8.20	-45.96
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C1CC1	REAL300008190285	0	38	-1.0	-55.36	337.51	5.56	-49.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C1CC1	REAL300008190286	0	38	-1.0	-57.44	354.86	6.12	-51.32
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2)=CO1	REAL300008190287	0	41	-1.0	-57.00	348.25	3.91	-53.09
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300008190288	0	35	-1.0	-53.68	315.72	3.19	-50.49
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2O1)C1CC1	REAL300008190289	0	35	-1.0	-57.13	301.47	5.28	-51.85
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C1CC1	REAL300008190290	0	35	-1.0	-52.46	298.22	3.46	-49.00
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300008190291	0	35	-1.0	-52.24	299.54	1.44	-50.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C1CC1	REAL300008190292	0	40	-1.0	-54.43	322.52	5.67	-48.76
O=C([O-])C[C@H](NS(=O)(=O)C1CC2=CC=CC=C2C1)C1CC1	REAL300008190293	0	39	-1.0	-42.35	314.46	5.90	-36.45
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=N2)C=C1	REAL300008190294	0	42	-1.0	-53.27	353.86	6.54	-46.73
CC1CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC(Cl)=C2O1	REAL300008190295	0	40	-1.0	-54.55	345.23	5.92	-48.63
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300008190296	0	37	-1.0	-49.98	316.32	5.97	-44.01
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300008190297	0	43	-1.0	-58.49	358.95	5.50	-52.99
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C1CC1	REAL300008190298	0	34	-1.0	-52.95	303.46	4.25	-48.70
CN(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190299	0	40	-1.0	-56.67	322.98	5.21	-51.46
CC1=CC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2C=C1	REAL300008190300	0	41	-1.0	-55.70	339.24	7.70	-48.00
COC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)SC=C1	REAL300008190301	0	33	-1.0	-44.19	291.36	3.19	-41.00
CN(C)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190302	0	40	-1.0	-56.11	322.97	5.20	-50.91
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCC2)C1CC1	REAL300008190303	0	37	-1.0	-59.74	303.33	4.13	-55.61
O=C([O-])C[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C1CC1	REAL300008190304	0	37	-1.0	-62.94	323.09	4.43	-58.51
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CCOC2=C1)C1CC1	REAL300008190305	0	37	-1.0	-55.73	307.92	4.62	-51.11
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C1CC1	REAL300008190306	0	38	-1.0	-55.40	337.97	6.39	-49.01
CN1CCCC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C21	REAL300008190307	0	44	-1.0	-57.41	346.56	5.33	-52.08
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C1CC1	REAL300008190308	0	34	-1.0	-50.88	306.14	3.98	-46.90
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190309	0	40	-1.0	-62.82	331.67	4.83	-57.99
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190310	0	40	-1.0	-50.23	335.37	6.36	-43.87
CC1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1[N+](=O)[O-]	REAL300008190311	0	40	-1.0	-65.89	331.56	7.17	-58.72
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300008190312	0	40	-1.0	-58.23	336.61	6.22	-52.01
COC1=CC=C(CCS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190313	0	42	-1.0	-56.83	350.74	5.17	-51.66
COC1=CN=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190314	0	35	-1.0	-53.30	296.82	2.20	-51.10
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300008190315	0	41	-1.0	-55.24	341.12	6.75	-48.49
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C1CC1	REAL300008190316	0	39	-1.0	-54.81	321.35	6.88	-47.93
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(OC)=C1	REAL300008190317	0	40	-1.0	-57.07	330.44	3.41	-53.66
O=C([O-])C[C@H](NS(=O)(=O)CCC1CCCCC1)C1CC1	REAL300008190318	0	44	-1.0	-56.15	342.02	6.04	-50.11
CC1=CC=C(CCS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190319	0	41	-1.0	-55.92	342.65	6.55	-49.37
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)OCO2	REAL300008190320	0	38	-1.0	-54.77	317.71	3.84	-50.93
O=C([O-])C[C@H](NS(=O)(=O)C1=C2OC=CC2=CC=C1)C1CC1	REAL300008190321	0	35	-1.0	-59.16	295.15	4.35	-54.81
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Cl	REAL300008190322	0	36	-1.0	-51.37	316.98	4.66	-46.71
CN1C=NC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300008190323	0	38	-1.0	-59.71	320.42	6.14	-53.57
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300008190324	0	40	-1.0	-63.78	326.17	5.97	-57.81
CC1=NC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2O1	REAL300008190325	0	37	-1.0	-55.31	315.81	2.46	-52.85
CCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1CC	REAL300008190326	0	44	-1.0	-55.81	348.48	7.36	-48.45
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190327	0	40	-1.0	-47.20	333.60	6.55	-40.65
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190328	0	42	-1.0	-58.18	341.31	6.06	-52.12
CC1=C(C)SC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190329	0	35	-1.0	-55.84	304.92	5.22	-50.62
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190330	0	33	-1.0	-38.88	289.96	1.96	-36.92
CCC1=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300008190331	0	34	-1.0	-52.79	301.16	3.34	-49.45
CN(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300008190332	0	39	-1.0	-55.84	321.13	4.56	-51.28
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300008190333	0	35	-1.0	-53.89	296.84	5.21	-48.68
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C1CC1	REAL300008190334	0	38	-1.0	-61.82	332.23	5.97	-55.85
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C1CC1	REAL300008190335	0	35	-1.0	-55.97	304.06	2.92	-53.05
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(C)=C1F	REAL300008190336	0	38	-1.0	-50.45	325.55	5.64	-44.81
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C1CC1	REAL300008190337	0	39	-1.0	-57.67	327.43	4.54	-53.13
O=C([O-])C[C@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C1CC1	REAL300008190338	0	45	-1.0	-59.85	376.76	5.93	-53.92
O=C([O-])C[C@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C12)C1CC1	REAL300008190339	0	36	-1.0	-60.74	315.71	4.33	-56.41
O=C([O-])C[C@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C1CC1	REAL300008190340	0	34	-1.0	-60.25	296.10	3.97	-56.28
CC1=NC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CS1	REAL300008190341	0	34	-1.0	-60.57	306.33	2.77	-57.80
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C1CC1	REAL300008190342	0	35	-1.0	-56.36	316.47	5.61	-50.75
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Cl	REAL300008190343	0	35	-1.0	-51.86	306.90	5.91	-45.95
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1CC1	REAL300008190344	0	38	-1.0	-65.23	320.25	5.77	-59.46
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2)=N1	REAL300008190345	0	41	-1.0	-54.91	357.68	6.28	-48.63
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C1CC1	REAL300008190346	0	40	-1.0	-58.80	330.04	5.48	-53.32
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C1CC1	REAL300008190347	0	39	-1.0	-61.64	336.54	2.66	-58.98
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C1CC1	REAL300008190348	0	41	-1.0	-55.65	339.54	4.66	-50.99
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C1CC1	REAL300008190349	0	35	-1.0	-55.97	319.60	5.60	-50.37
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190350	0	57	-1.0	-53.92	451.78	9.74	-44.18
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190351	0	45	-1.0	-55.09	358.64	6.73	-48.36
COC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)C1CCCC1	REAL300008190352	0	45	-1.0	-56.53	352.80	4.69	-51.84
COC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)C1CCCCC1	REAL300008190353	0	48	-1.0	-57.04	367.67	5.40	-51.64
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C1CC1	REAL300008190354	0	46	-1.0	-53.53	388.93	8.16	-45.37
CCOC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)C1CC1	REAL300008190355	0	42	-1.0	-58.20	340.06	4.67	-53.53
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300008190356	0	51	-1.0	-54.50	402.91	7.86	-46.64
CCC1=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN1CC1CC1	REAL300008190357	0	45	-1.0	-59.47	365.56	6.54	-52.93
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C1CC1	REAL300008190358	0	35	-1.0	-52.91	307.90	4.57	-48.34
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300008190359	0	40	-1.0	-51.39	341.26	6.60	-44.79
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190360	0	39	-1.0	-50.71	324.84	4.14	-46.57
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C1CC1	REAL300008190361	0	45	-1.0	-51.08	379.49	6.59	-44.49
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190362	0	35	-1.0	-40.99	314.56	2.59	-38.40
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C1CC1	REAL300008190363	0	43	-1.0	-54.38	368.99	9.13	-45.25
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C1CC1	REAL300008190364	0	42	-1.0	-58.51	343.14	7.68	-50.83
CCC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C(C)C=C1OC	REAL300008190365	0	45	-1.0	-54.80	363.96	5.78	-49.02
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1CC1	REAL300008190366	0	38	-1.0	-50.87	342.65	6.68	-44.19
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=N1	REAL300008190367	1	34	-1.0	-64.96	293.12	3.21	-61.75
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CC=C2C=C1	REAL300008190368	0	41	-1.0	-57.23	328.16	7.33	-49.90
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300008190369	0	41	-1.0	-51.20	340.62	3.31	-47.89
COC1=C(F)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190370	0	36	-1.0	-51.99	298.24	4.31	-47.68
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300008190371	0	48	-1.0	-54.05	381.41	7.05	-47.00
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300008190372	0	44	-1.0	-54.67	349.68	7.06	-47.61
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C1CC1	REAL300008190373	0	51	-1.0	-57.31	401.59	8.90	-48.41
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190374	0	42	-1.0	-50.61	335.78	4.27	-46.34
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C(C)(C)C)=N1	REAL300008190375	0	44	-1.0	-52.77	340.64	4.74	-48.03
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C1CC1	REAL300008190376	0	42	-1.0	-52.84	338.61	5.10	-47.74
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190377	0	35	-1.0	-47.14	309.93	3.09	-44.05
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190378	0	39	-1.0	-58.77	334.32	4.52	-54.25
C=CCCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190379	0	42	-1.0	-54.86	348.65	7.59	-47.27
CCC1=NN(C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190380	0	38	-1.0	-53.48	323.18	3.26	-50.22
CCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300008190381	0	54	-1.0	-53.41	424.39	8.63	-44.78
O=C([O-])C[C@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C1CC1	REAL300008190382	0	36	-1.0	-54.10	321.51	6.66	-47.44
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(C)(C)C	REAL300008190383	0	54	-1.0	-54.80	415.46	8.52	-46.28
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1CC	REAL300008190384	0	48	-1.0	-53.53	385.98	7.32	-46.21
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190385	0	38	-1.0	-49.35	320.92	6.29	-43.06
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190386	0	38	-1.0	-55.99	336.84	6.28	-49.71
O=C([O-])C[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C1CC1	REAL300008190387	0	36	-1.0	-56.00	319.02	6.57	-49.43
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190388	0	41	-1.0	-55.74	330.06	6.77	-48.97
COC1=NC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190389	0	35	-1.0	-45.06	295.87	1.92	-43.14
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190390	0	48	-1.0	-53.38	392.48	7.05	-46.33
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C1CC1	REAL300008190391	0	37	-1.0	-57.73	313.21	4.80	-52.93
CC1=CSC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190392	0	35	-1.0	-50.52	300.11	4.93	-45.59
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C1CC1	REAL300008190393	0	39	-1.0	-55.05	321.10	4.42	-50.63
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C1CC1	REAL300008190394	0	39	-1.0	-41.94	320.12	3.88	-38.06
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C1CC1	REAL300008190395	0	42	-1.0	-49.53	347.93	4.88	-44.65
CC1(C)COC2=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=NN2C1	REAL300008190396	0	43	-1.0	-58.70	337.68	1.99	-56.71
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C1CC1	REAL300008190397	0	38	-1.0	-54.22	338.00	5.67	-48.55
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2CCCCN12)C1CC1	REAL300008190398	0	39	-1.0	-52.46	317.83	4.21	-48.25
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300008190399	0	57	-1.0	-53.40	445.89	9.42	-43.98
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300008190400	0	48	-1.0	-55.94	378.40	6.34	-49.60
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190401	0	42	-1.0	-57.30	351.91	5.68	-51.62
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300008190402	0	55	-1.0	-55.86	436.89	7.27	-48.59
CC1CC2=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=C2O1	REAL300008190403	0	40	-1.0	-59.52	335.23	4.87	-54.65
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300008190404	0	40	-1.0	-52.92	339.83	4.42	-48.50
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C1CC1	REAL300008190405	0	38	-1.0	-57.31	331.31	4.93	-52.38
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190406	0	37	-1.0	-63.67	319.23	3.91	-59.76
O=C([O-])C[C@H](NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C1CC1	REAL300008190407	0	41	-1.0	-54.97	325.60	4.44	-50.53
O=C([O-])C[C@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12)C1CC1	REAL300008190408	0	36	-1.0	-55.89	320.12	4.23	-51.66
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C1CC1	REAL300008190409	0	33	-1.0	-48.19	287.09	3.58	-44.61
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C1CC1	REAL300008190410	0	35	-1.0	-56.47	310.28	6.25	-50.22
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190411	0	39	-1.0	-49.83	330.45	3.99	-45.84
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1F	REAL300008190412	0	41	-1.0	-51.86	330.74	6.55	-45.31
COC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1OC	REAL300008190413	0	40	-1.0	-54.36	321.06	3.98	-50.38
O=C([O-])C[C@H](NS(=O)(=O)C1=COC2=CC=CC=C21)C1CC1	REAL300008190414	0	35	-1.0	-55.10	295.13	3.94	-51.16
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C2CCCC2)=N1	REAL300008190415	0	45	-1.0	-53.97	366.28	5.13	-48.84
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190416	0	44	-1.0	-53.71	356.52	4.93	-48.78
CCCCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=N1	REAL300008190417	0	44	-1.0	-52.84	367.31	4.99	-47.85
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300008190418	0	39	-1.0	-54.45	332.57	4.20	-50.25
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C1CC1	REAL300008190419	0	36	-1.0	-56.32	310.68	4.38	-51.94
CN1N=NC2=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=CC=C21	REAL300008190420	0	37	-1.0	-66.10	311.73	2.60	-63.50
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300008190421	0	38	-1.0	-55.01	338.19	6.64	-48.37
CC1(C)CCCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C1	REAL300008190422	0	43	-1.0	-54.51	333.90	4.82	-49.69
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C1CC1	REAL300008190423	0	38	-1.0	-50.55	345.38	5.39	-45.16
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C2CCC2)=N1	REAL300008190424	0	42	-1.0	-54.00	349.69	4.60	-49.40
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190425	0	50	-1.0	-56.54	389.20	8.13	-48.41
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1CC1	REAL300008190426	0	38	-1.0	-52.18	340.01	6.92	-45.26
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C1CC1	REAL300008190427	0	42	-1.0	-53.07	345.87	5.40	-47.67
O=C([O-])C[C@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C1CC1	REAL300008190428	0	36	-1.0	-57.50	309.01	6.00	-51.50
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C1CC1	REAL300008190429	0	43	-1.0	-58.61	348.53	6.49	-52.12
COC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300008190430	0	41	-1.0	-69.64	343.18	5.59	-64.05
CCCC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190431	0	41	-1.0	-55.43	335.83	7.01	-48.42
CN1N=C2CCCC2=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190432	0	39	-1.0	-51.74	324.20	3.78	-47.96
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190433	0	41	-1.0	-53.36	321.48	3.90	-49.46
CC(C)(C)N1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300008190434	0	41	-1.0	-53.34	336.39	4.48	-48.86
O=C([O-])C[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C1CC1	REAL300008190435	0	39	-1.0	-52.72	326.73	3.29	-49.43
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN=C1C(F)(F)F	REAL300008190436	0	37	-1.0	-48.53	319.68	4.84	-43.69
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1CC1	REAL300008190437	0	35	-1.0	-49.60	317.26	5.84	-43.76
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190438	0	43	-1.0	-60.52	353.40	7.09	-53.43
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C1CC1	REAL300008190439	0	43	-1.0	-55.37	345.73	7.31	-48.06
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1CC1	REAL300008190440	0	38	-1.0	-51.93	339.58	5.30	-46.63
O=C([O-])C[C@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C1CC1	REAL300008190441	0	38	-1.0	-52.62	321.37	4.82	-47.80
O=C([O-])C[C@H](NS(=O)(=O)CC1=NOC2=C1COCC2)C1CC1	REAL300008190442	0	39	-1.0	-62.66	329.04	2.73	-59.93
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190443	0	42	-1.0	-52.13	367.65	5.58	-46.55
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C1CC1	REAL300008190444	0	32	-1.0	-53.90	295.15	4.58	-49.32
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C1CC1	REAL300008190445	0	39	-1.0	-55.00	320.66	6.90	-48.10
COC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=CS1	REAL300008190446	0	33	-1.0	-41.43	293.08	2.91	-38.52
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C1CC1	REAL300008190447	0	42	-1.0	-49.42	341.47	4.80	-44.62
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190448	0	41	-1.0	-50.02	338.46	4.16	-45.86
CN(C1CCCCCC1)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190449	0	46	-1.0	-53.89	341.34	5.18	-48.71
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C2CCOCC2)=N1	REAL300008190450	0	46	-1.0	-54.00	373.10	3.27	-50.73
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190451	0	38	-1.0	-53.32	322.02	6.57	-46.75
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C1CC1	REAL300008190452	0	36	-1.0	-54.76	310.70	4.39	-50.37
O=C([O-])C[C@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C1CC1	REAL300008190453	0	47	-1.0	-55.99	370.14	6.77	-49.22
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300008190454	0	33	-1.0	-54.17	295.07	3.27	-50.90
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300008190455	0	43	-1.0	-63.55	344.09	6.49	-57.06
O=C([O-])C[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C1CC1	REAL300008190456	0	40	-1.0	-54.82	334.93	4.53	-50.29
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(CCF)N=C1)C1CC1	REAL300008190457	0	35	-1.0	-52.72	304.56	3.46	-49.26
CCOCC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190458	0	42	-1.0	-56.46	345.73	5.73	-50.73
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190459	0	42	-1.0	-45.48	352.63	5.16	-40.32
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C1CC1	REAL300008190460	0	45	-1.0	-54.33	357.56	5.68	-48.65
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1CC1	REAL300008190461	0	43	-1.0	-53.23	361.06	7.69	-45.54
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1CF)C1CC1	REAL300008190462	0	35	-1.0	-58.17	297.14	5.32	-52.85
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(C)=C1Br	REAL300008190463	0	38	-1.0	-50.82	336.22	6.05	-44.77
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300008190464	0	41	-1.0	-45.92	336.04	7.00	-38.92
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C2=CC=CC=C2)=N1	REAL300008190465	0	42	-1.0	-55.81	351.53	5.68	-50.13
O=C([O-])C[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C1CC1	REAL300008190466	0	36	-1.0	-54.35	311.19	6.21	-48.14
O=C([O-])C[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C1CC1	REAL300008190467	0	36	-1.0	-54.01	326.07	6.76	-47.25
O=C([O-])C[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C1CC1	REAL300008190468	0	36	-1.0	-53.68	326.07	6.77	-46.91
O=C([O-])C[C@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C1CC1	REAL300008190469	0	37	-1.0	-64.69	319.17	-1.68	-66.37
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2C=CC=CN12)C1CC1	REAL300008190470	0	35	-1.0	-52.42	298.56	4.28	-48.14
O=C([O-])C[C@H](NS(=O)(=O)C1CCC(F)(F)CC1)C1CC1	REAL300008190471	0	38	-1.0	-37.61	305.83	4.47	-33.14
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C1CC1	REAL300008190472	0	34	-1.0	-54.59	303.07	4.18	-50.41
O=C([O-])C[C@H](NS(=O)(=O)CCOC1CCOC1)C1CC1	REAL300008190473	0	40	-1.0	-55.32	330.81	1.57	-53.75
CC1=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300008190474	0	41	-1.0	-60.91	343.85	5.61	-55.30
O=C([O-])C[C@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C1CC1	REAL300008190475	0	49	-1.0	-58.33	352.99	7.25	-51.08
CC1(C)COC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C1	REAL300008190476	0	42	-1.0	-61.18	336.66	3.64	-57.54
O=C([O-])C[C@H](NS(=O)(=O)CC1CS(=O)(=O)C1)C1CC1	REAL300008190477	0	35	-1.0	-64.66	306.97	0.06	-64.60
CC(C)(CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)C(C)(F)F	REAL300008190478	0	40	-1.0	-53.95	314.99	4.82	-49.13
CS(=O)(=O)CCCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190479	0	40	-1.0	-65.62	346.47	1.19	-64.43
CC1(C)CCC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)OC1	REAL300008190480	0	45	-1.0	-58.96	350.25	4.73	-54.23
O=C([O-])C[C@H](NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C1CC1	REAL300008190481	0	42	-1.0	-56.20	346.51	6.67	-49.53
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C1CC1	REAL300008190482	0	36	-1.0	-63.13	323.96	3.41	-59.72
O=C([O-])C[C@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C1CC1	REAL300008190483	0	42	-1.0	-58.96	359.27	7.27	-51.69
O=C([O-])C[C@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C1CC1	REAL300008190484	0	41	-1.0	-63.21	330.71	1.80	-61.41
O=C([O-])C[C@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C1CC1	REAL300008190485	0	45	-1.0	-56.76	343.51	6.37	-50.39
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C1CC1	REAL300008190486	0	36	-1.0	-55.68	314.88	6.11	-49.57
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300008190487	0	54	-1.0	-56.16	400.07	8.94	-47.22
COC1=CC=C(C=C(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300008190488	0	43	-1.0	-55.33	348.08	5.12	-50.21
COC1=CSC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1OC	REAL300008190489	0	37	-1.0	-41.79	317.41	2.40	-39.39
O=C([O-])C[C@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C1CC1	REAL300008190490	0	44	-1.0	-54.51	338.62	4.82	-49.69
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190491	0	43	-1.0	-55.05	357.86	6.23	-48.82
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C1CC1	REAL300008190492	0	36	-1.0	-51.85	316.08	5.14	-46.71
COC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300008190493	0	36	-1.0	-57.54	308.82	4.33	-53.21
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C1CC1	REAL300008190494	0	36	-1.0	-57.03	316.43	4.44	-52.59
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190495	0	38	-1.0	-51.64	322.96	4.22	-47.42
CN1C=CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300008190496	0	39	-1.0	-58.18	325.90	6.56	-51.62
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C1CC1	REAL300008190497	0	41	-1.0	-53.73	350.32	5.30	-48.43
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190498	0	45	-1.0	-52.64	366.67	6.56	-46.08
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1CC1	REAL300008190499	0	43	-1.0	-54.81	358.44	7.94	-46.87
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190500	0	38	-1.0	-62.66	312.62	6.18	-56.48
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C1CC1	REAL300008190501	0	33	-1.0	-55.19	307.78	3.04	-52.15
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190502	0	43	-1.0	-55.47	352.14	6.66	-48.81
CCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300008190503	0	42	-1.0	-53.94	356.39	4.99	-48.95
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=NSN=C2C=C1	REAL300008190504	0	36	-1.0	-61.80	316.58	3.68	-58.12
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C1CC1	REAL300008190505	0	38	-1.0	-53.66	334.59	7.54	-46.12
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C1CC1	REAL300008190506	0	42	-1.0	-53.60	363.10	8.73	-44.87
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C1CC1	REAL300008190507	0	31	-1.0	-51.39	298.88	2.77	-48.62
CCC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Br	REAL300008190508	0	38	-1.0	-51.53	330.49	6.68	-44.85
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190509	0	45	-1.0	-42.92	359.56	5.18	-37.74
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CS1)C1CC1	REAL300008190510	0	29	-1.0	-51.50	279.90	4.31	-47.19
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300008190511	0	46	-1.0	-59.31	366.31	4.43	-54.88
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C1CC1	REAL300008190512	0	38	-1.0	-43.61	330.45	7.18	-36.43
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300008190513	0	40	-1.0	-49.70	327.34	1.90	-47.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1)C1CC1	REAL300008190514	0	39	-1.0	-56.82	320.14	6.48	-50.34
CC1(C)CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300008190515	0	43	-1.0	-53.83	333.18	4.50	-49.33
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008190685	0	44	-1.0	-60.02	345.90	6.10	-53.92
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C)CCCCC1	REAL300008190689	0	49	-1.0	-59.08	346.50	6.57	-52.51
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008190696	0	37	-1.0	-36.95	328.12	5.23	-31.72
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008190697	0	50	-1.0	-59.73	385.16	8.42	-51.31
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008190698	0	48	-1.0	-59.31	378.62	5.86	-53.45
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CCCC(C)(C)C	REAL300008190699	0	48	-1.0	-58.76	358.65	6.06	-52.70
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008190700	0	46	-1.0	-69.29	357.48	2.24	-67.05
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008190701	0	40	-1.0	-54.97	334.65	5.70	-49.27
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300008190703	0	47	-1.0	-60.68	345.05	6.53	-54.15
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)CC2	REAL300008190706	0	50	-1.0	-60.26	353.65	7.30	-52.96
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1CCOC1	REAL300008190707	0	44	-1.0	-59.70	335.88	3.65	-56.05
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008190708	0	48	-1.0	-65.76	369.30	2.17	-63.59
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CCCCC1(F)F	REAL300008190709	0	46	-1.0	-61.59	344.78	6.66	-54.93
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008190710	0	44	-1.0	-58.72	345.39	7.12	-51.60
CCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1[N+](=O)[O-]	REAL300008190711	0	45	-1.0	-61.26	356.96	6.72	-54.54
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008190712	0	37	-1.0	-38.48	309.27	5.39	-33.09
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008190714	0	39	-1.0	-38.55	320.96	5.55	-33.00
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008190715	0	43	-1.0	-43.94	338.30	7.12	-36.82
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008190716	0	39	-1.0	-42.24	320.95	5.54	-36.70
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300008190717	0	42	-1.0	-60.15	333.41	6.37	-53.78
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300008190718	0	41	-1.0	-42.14	322.02	4.17	-37.97
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008190719	0	39	-1.0	-50.69	319.75	6.61	-44.08
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300008190720	0	44	-1.0	-42.22	343.87	5.09	-37.13
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008190726	0	40	-1.0	-58.07	314.46	6.54	-51.53
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300008190734	0	46	-1.0	-41.50	354.90	6.90	-34.60
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008190741	0	41	-1.0	-38.36	338.51	4.66	-33.70
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008190743	0	46	-1.0	-45.83	357.48	4.91	-40.92
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COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300008190747	0	41	-1.0	-59.46	337.17	5.83	-53.63
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008190749	0	40	-1.0	-38.18	331.27	5.87	-32.31
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008190750	0	47	-1.0	-43.03	355.50	7.37	-35.66
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COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1OC	REAL300008190752	0	45	-1.0	-43.94	353.68	4.15	-39.79
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008190753	0	44	-1.0	-42.93	337.16	6.73	-36.20
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008190755	0	45	-1.0	-42.89	347.96	7.35	-35.54
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008190756	0	42	-1.0	-55.85	330.62	4.74	-51.11
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300008190757	0	52	-1.0	-40.98	395.99	8.38	-32.60
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008190759	0	42	-1.0	-47.35	346.92	-0.17	-47.52
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCCCC1	REAL300008190762	0	45	-1.0	-47.48	311.17	5.15	-42.33
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008190766	0	42	-1.0	-48.57	346.02	-0.20	-48.77
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300008190767	0	45	-1.0	-48.64	361.30	7.14	-41.50
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008190768	0	46	-1.0	-56.99	360.62	7.17	-49.82
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C)CC1	REAL300008190771	0	45	-1.0	-39.26	330.29	5.31	-33.95
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300008190772	0	48	-1.0	-49.01	388.10	2.90	-46.11
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008190773	0	49	-1.0	-48.80	381.07	4.29	-44.51
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008190774	0	43	-1.0	-52.86	353.44	2.39	-50.47
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008190775	0	47	-1.0	-48.84	371.84	8.90	-39.94
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)N1CC(C)CC(C)C1	REAL300008190776	0	48	-1.0	-57.61	356.79	5.72	-51.89
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008190777	0	43	-1.0	-59.29	330.55	7.33	-51.96
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008190778	0	47	-1.0	-43.74	366.87	8.28	-35.46
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300008190780	0	51	-1.0	-56.81	380.67	7.12	-49.69
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008190781	0	38	-1.0	-42.87	308.46	3.65	-39.22
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300008190782	0	41	-1.0	-59.51	332.61	5.72	-53.79
COC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300008190783	0	41	-1.0	-43.96	324.47	4.25	-39.71
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300008190784	0	52	-1.0	-42.07	385.10	7.76	-34.31
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1Cl	REAL300008190785	0	40	-1.0	-54.22	329.99	6.01	-48.21
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300008190786	0	47	-1.0	-42.83	361.51	5.71	-37.12
CCC1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300008190787	0	43	-1.0	-43.83	330.44	6.70	-37.13
CC1=NC(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)=CN1C	REAL300008190788	0	40	-1.0	-62.51	313.45	5.34	-57.17
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008190789	0	40	-1.0	-60.41	336.97	6.36	-54.05
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008190790	0	38	-1.0	-43.03	300.88	3.90	-39.13
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008190791	0	42	-1.0	-44.82	358.97	7.59	-37.23
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008190792	0	42	-1.0	-68.13	326.76	6.58	-61.55
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300008190793	0	43	-1.0	-55.02	344.07	5.87	-49.15
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1F	REAL300008190794	0	41	-1.0	-57.75	330.20	4.26	-53.49
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1F	REAL300008190795	0	40	-1.0	-41.92	321.69	5.66	-36.26
CC1=CC=C(CS(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300008190796	0	43	-1.0	-60.03	341.64	6.54	-53.49
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCCC1C	REAL300008190797	0	45	-1.0	-39.16	319.01	5.27	-33.89
CCCN(CCC)S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300008190798	0	47	-1.0	-56.32	355.95	6.08	-50.24
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300008190799	0	53	-1.0	-56.98	398.53	8.20	-48.78
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008190800	0	40	-1.0	-59.52	352.33	7.08	-52.44
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C2=CC=CC=C12	REAL300008190801	0	47	-1.0	-57.56	359.10	6.57	-50.99
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300008190802	0	42	-1.0	-51.06	333.34	6.43	-44.63
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300008190803	0	42	-1.0	-52.83	331.67	6.43	-46.40
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300008190804	0	45	-1.0	-44.52	359.41	7.39	-37.13
CC(C)CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300008190805	0	49	-1.0	-40.98	373.69	7.55	-33.43
COCCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300008190806	0	47	-1.0	-41.44	369.10	5.38	-36.06
COCCN(CCOC)S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300008190807	0	49	-1.0	-56.28	382.01	2.98	-53.30
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C	REAL300008190808	0	40	-1.0	-56.36	325.10	6.40	-49.96
COC1=C(C)C=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1C	REAL300008190809	0	47	-1.0	-43.67	366.33	5.75	-37.92
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300008190810	0	53	-1.0	-41.98	404.43	7.19	-34.79
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008190811	0	51	-1.0	-54.82	390.81	7.11	-47.71
CC(C)COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300008190812	0	50	-1.0	-42.14	385.66	6.59	-35.55
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300008190813	0	47	-1.0	-42.01	365.56	5.89	-36.12
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1Cl	REAL300008190814	0	41	-1.0	-56.99	340.00	4.75	-52.24
CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008190815	0	41	-1.0	-42.39	350.23	5.08	-37.31
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1C	REAL300008190816	0	44	-1.0	-42.47	342.14	4.94	-37.53
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)=CC=C1OC(C)C	REAL300008190817	0	50	-1.0	-42.64	382.75	6.54	-36.10
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C(C)=C1	REAL300008190818	0	44	-1.0	-55.61	334.72	5.07	-50.54
COCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300008190819	0	48	-1.0	-43.90	377.50	4.36	-39.54
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CC(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008190998	0	41	-1.0	-55.82	347.52	6.84	-48.98
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC	REAL300008200061	0	35	-1.0	-40.80	293.38	4.01	-36.79
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300008200062	0	36	-1.0	-49.11	319.39	5.70	-43.41
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300008200063	0	42	-1.0	-45.27	348.86	4.16	-41.11
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300008200064	0	42	-1.0	-57.91	349.12	1.05	-56.86
CC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008200065	0	49	-1.0	-38.55	333.70	5.58	-32.97
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300008200066	0	39	-1.0	-64.83	309.29	5.73	-59.10
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008200067	0	39	-1.0	-62.05	321.88	6.02	-56.03
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008200068	0	42	-1.0	-55.41	335.26	2.40	-53.01
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300008200069	0	45	-1.0	-42.46	380.73	5.24	-37.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300008200070	0	45	-1.0	-43.88	376.00	5.29	-38.59
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCOCCOCCOC	REAL300008200071	0	45	-1.0	-57.89	366.45	1.38	-56.51
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC(C)COC1CCCC1	REAL300008200072	0	47	-1.0	-58.65	359.09	5.44	-53.21
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300008200073	0	46	-1.0	-41.07	381.71	5.50	-35.57
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300008200074	0	38	-1.0	-53.08	326.60	4.29	-48.79
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008200075	0	39	-1.0	-53.10	316.41	1.62	-51.48
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300008200076	0	35	-1.0	-53.30	308.54	3.92	-49.38
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008200077	0	35	-1.0	-41.11	303.17	4.27	-36.84
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300008200078	0	37	-1.0	-50.94	313.14	4.71	-46.23
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300008200079	0	37	-1.0	-37.59	310.40	5.41	-32.18
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300008200080	0	37	-1.0	-36.72	310.34	5.41	-31.31
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CC[C@H](CC(=O)[O-])NS(=O)(=O)CCCN1CCOCC1	REAL300008200082	0	43	-1.0	-58.06	331.46	1.09	-56.97
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300008200216	0	39	-1.0	-37.11	317.90	5.54	-31.57
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300008200237	0	41	-1.0	-54.45	327.21	4.84	-49.61
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008200239	0	36	-1.0	-44.09	314.01	6.14	-37.95
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008200240	0	36	-1.0	-63.98	287.64	5.16	-58.82
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008200241	0	42	-1.0	-54.85	361.37	7.36	-47.49
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300008200242	0	37	-1.0	-40.65	315.19	4.60	-36.05
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300008200243	0	35	-1.0	-55.76	293.45	3.35	-52.41
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008200244	0	42	-1.0	-52.25	363.96	7.39	-44.86
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300008200245	0	46	-1.0	-53.45	376.73	6.16	-47.29
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300008200246	0	58	-1.0	-53.31	417.24	9.78	-43.53
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300008200247	0	47	-1.0	-45.50	367.25	6.91	-38.59
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008200248	0	34	-1.0	-56.96	313.45	5.79	-51.17
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300008200249	0	41	-1.0	-45.38	327.76	5.34	-40.04
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1	REAL300008200250	0	47	-1.0	-59.27	377.52	1.62	-57.65
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300008200251	0	36	-1.0	-38.06	299.83	5.08	-32.98
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300008200252	0	36	-1.0	-42.93	295.24	4.86	-38.07
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC)CC(=O)[O-]	REAL300008200253	0	39	-1.0	-37.76	317.12	5.62	-32.14
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300008200254	0	43	-1.0	-54.93	338.81	6.65	-48.28
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCOC)C=C1	REAL300008200255	0	41	-1.0	-54.94	334.62	4.48	-50.46
CC[C@H](CC(=O)[O-])NS(=O)(=O)N(CCOC)CCOC	REAL300008200256	0	43	-1.0	-37.75	326.36	1.93	-35.82
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300008200257	0	34	-1.0	-37.37	288.33	4.93	-32.44
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300008200258	0	41	-1.0	-53.64	331.31	4.87	-48.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300008200259	0	47	-1.0	-53.29	369.97	6.30	-46.99
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008200260	0	45	-1.0	-53.91	351.78	6.17	-47.74
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300008200261	0	44	-1.0	-53.54	351.00	5.70	-47.84
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1	REAL300008200262	0	41	-1.0	-53.58	330.90	5.00	-48.58
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300008200263	0	35	-1.0	-52.81	303.25	3.84	-48.97
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008200264	0	35	-1.0	-54.08	313.01	4.10	-49.98
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300008200265	0	38	-1.0	-54.39	307.20	4.01	-50.38
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300008200266	0	44	-1.0	-53.95	346.54	5.59	-48.36
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1C	REAL300008200267	0	38	-1.0	-42.02	301.16	3.71	-38.31
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300008200268	0	42	-1.0	-55.90	343.03	3.47	-52.43
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1C	REAL300008200269	0	34	-1.0	-37.81	292.96	5.03	-32.78
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300008200270	0	39	-1.0	-60.20	313.76	6.88	-53.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300008200271	0	40	-1.0	-43.59	332.39	1.93	-41.66
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008200272	0	43	-1.0	-56.15	367.07	1.83	-54.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300008200273	0	39	-1.0	-56.71	334.67	0.15	-56.56
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC	REAL300008200274	0	39	-1.0	-49.82	314.06	1.95	-47.87
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008200275	0	34	-1.0	-42.05	294.55	5.03	-37.02
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300008200276	0	35	-1.0	-52.02	293.79	3.35	-48.67
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008200277	0	41	-1.0	-58.03	331.90	7.39	-50.64
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300008200279	0	37	-1.0	-54.98	336.46	4.59	-50.39
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008200280	0	51	-1.0	-53.30	392.62	7.60	-45.70
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300008200281	0	39	-1.0	-63.40	308.52	5.79	-57.61
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300008200283	0	41	-1.0	-52.55	310.88	4.59	-47.96
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008200284	0	42	-1.0	-55.36	341.95	8.09	-47.27
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300008200286	0	39	-1.0	-54.21	300.97	4.99	-49.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008200287	0	36	-1.0	-45.27	294.53	4.19	-41.08
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008200290	0	38	-1.0	-54.84	328.97	4.67	-50.17
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008200399	0	41	-1.0	-47.05	324.50	7.05	-40.00
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1	REAL300008200400	0	51	-1.0	-54.20	413.09	8.88	-45.32
CCC1=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=C(C)C=C1OC	REAL300008200401	0	44	-1.0	-41.25	342.85	5.20	-36.05
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008200402	0	37	-1.0	-50.96	329.27	5.85	-45.11
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008200403	1	33	-1.0	-67.68	283.04	3.83	-63.85
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300008200404	0	40	-1.0	-56.10	308.39	6.98	-49.12
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300008200405	0	40	-1.0	-52.17	327.21	2.46	-49.71
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1OC	REAL300008200406	0	35	-1.0	-41.32	288.10	3.88	-37.44
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1C(C)C	REAL300008200407	0	47	-1.0	-54.85	367.49	6.20	-48.65
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300008200408	0	43	-1.0	-52.09	336.55	6.28	-45.81
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008200409	0	50	-1.0	-57.62	383.59	8.61	-49.01
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2CCCCC2=NN1C	REAL300008200410	0	41	-1.0	-51.52	316.32	4.25	-47.27
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300008200411	0	43	-1.0	-41.20	329.83	3.88	-37.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008200412	0	41	-1.0	-54.57	325.33	4.18	-50.39
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300008200413	0	34	-1.0	-51.73	285.76	2.86	-48.87
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300008200414	0	38	-1.0	-58.81	316.01	4.23	-54.58
C=CCCC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1	REAL300008200415	0	41	-1.0	-54.74	335.26	6.75	-47.99
CCCCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1C(C)C	REAL300008200416	0	53	-1.0	-53.44	410.68	7.83	-45.61
CC[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008200417	0	35	-1.0	-54.32	309.57	5.88	-48.44
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1C(C)(C)C	REAL300008200418	0	53	-1.0	-54.62	401.66	7.68	-46.94
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1CC	REAL300008200419	0	47	-1.0	-54.21	372.18	6.48	-47.73
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300008200420	0	37	-1.0	-49.43	293.64	5.59	-43.84
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300008200421	0	37	-1.0	-56.12	318.65	5.99	-50.13
CC[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008200422	0	35	-1.0	-56.25	307.04	5.78	-50.47
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300008200423	0	47	-1.0	-55.67	369.78	6.44	-49.23
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008200424	0	36	-1.0	-46.60	294.61	4.14	-42.46
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1	REAL300008200425	0	46	-1.0	-52.78	387.42	7.90	-44.88
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008200426	0	38	-1.0	-55.30	308.18	3.53	-51.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300008200427	0	38	-1.0	-51.41	303.52	4.19	-47.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008200428	0	41	-1.0	-42.45	320.75	4.39	-38.06
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300008200429	0	42	-1.0	-45.38	333.76	2.11	-43.27
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008200430	0	37	-1.0	-54.26	324.14	4.91	-49.35
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300008200431	0	38	-1.0	-61.14	301.27	3.93	-57.21
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1C(C)C	REAL300008200432	0	56	-1.0	-53.46	432.18	8.61	-44.85
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300008200433	0	47	-1.0	-40.90	357.59	5.60	-35.30
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300008200434	0	41	-1.0	-40.76	333.17	5.54	-35.22
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1C(C)C	REAL300008200435	0	54	-1.0	-56.32	422.97	6.42	-49.90
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300008200436	0	39	-1.0	-42.77	311.43	4.25	-38.52
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300008200437	0	39	-1.0	-52.98	325.94	3.66	-49.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008200438	0	37	-1.0	-57.94	306.93	4.40	-53.54
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300008200439	0	36	-1.0	-63.16	295.07	2.95	-60.21
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300008200440	0	35	-1.0	-57.37	302.88	4.16	-53.21
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008200441	0	34	-1.0	-56.18	296.24	5.46	-50.72
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300008200442	0	38	-1.0	-49.20	304.26	4.00	-45.20
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300008200443	0	40	-1.0	-52.70	308.71	6.12	-46.58
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300008200444	0	39	-1.0	-43.74	311.11	3.60	-40.14
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300008200445	0	44	-1.0	-45.62	345.16	4.38	-41.24
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300008200446	0	43	-1.0	-54.94	334.34	4.28	-50.66
CCCCN1C=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C(C)=N1	REAL300008200447	0	43	-1.0	-45.27	345.36	4.33	-40.94
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300008200448	0	38	-1.0	-44.93	309.89	3.42	-41.51
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008200449	0	35	-1.0	-56.30	297.29	3.56	-52.74
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300008200450	0	36	-1.0	-68.67	292.20	2.37	-66.30
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300008200451	0	37	-1.0	-37.94	311.38	5.50	-32.44
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008200452	0	37	-1.0	-51.46	324.62	5.06	-46.40
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300008200453	0	41	-1.0	-45.31	327.43	3.90	-41.41
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300008200454	0	49	-1.0	-39.73	367.85	7.50	-32.23
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008200455	0	37	-1.0	-55.18	327.03	5.78	-49.40
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008200456	0	41	-1.0	-53.29	332.03	4.50	-48.79
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008200457	0	35	-1.0	-57.15	290.54	5.22	-51.93
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008200458	0	42	-1.0	-41.34	357.26	7.02	-34.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300008200459	0	40	-1.0	-70.57	322.94	5.10	-65.47
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2CCCC2=NN1C	REAL300008200460	0	38	-1.0	-52.52	303.53	3.82	-48.70
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300008200461	0	40	-1.0	-49.39	301.97	3.44	-45.95
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300008200462	0	40	-1.0	-53.52	322.43	3.58	-49.94
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300008200463	0	38	-1.0	-43.34	303.29	2.58	-40.76
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300008200464	0	36	-1.0	-48.98	309.17	3.80	-45.18
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008200465	0	34	-1.0	-50.11	303.52	5.06	-45.05
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=C1	REAL300008200466	0	42	-1.0	-60.71	342.65	6.01	-54.70
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008200467	0	42	-1.0	-43.57	322.71	6.62	-36.95
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008200468	0	37	-1.0	-53.07	318.78	4.97	-48.10
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300008200469	0	38	-1.0	-63.55	310.74	2.43	-61.12
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1	REAL300008200470	0	41	-1.0	-52.19	354.26	4.75	-47.44
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008200471	0	31	-1.0	-39.71	275.21	3.96	-35.75
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008200472	0	41	-1.0	-51.45	323.53	4.86	-46.59
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H](CC)CC(=O)[O-]	REAL300008200473	0	40	-1.0	-51.42	317.21	4.03	-47.39
CC[C@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCCCCC1	REAL300008200474	0	45	-1.0	-38.32	319.86	4.80	-33.52
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300008200475	0	45	-1.0	-44.14	353.02	2.55	-41.59
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300008200476	0	37	-1.0	-57.14	310.82	5.48	-51.66
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008200477	0	35	-1.0	-54.83	296.99	3.56	-51.27
CC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008200478	0	46	-1.0	-56.07	350.34	7.20	-48.87
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300008200479	0	42	-1.0	-65.44	328.62	6.20	-59.24
CC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008200480	0	39	-1.0	-55.37	310.35	4.66	-50.71
CCOCC1=CC=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=C1	REAL300008200481	0	41	-1.0	-56.62	334.98	4.67	-51.95
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008200482	0	34	-1.0	-54.88	316.50	6.05	-48.83
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300008200483	0	41	-1.0	-52.15	338.42	5.41	-46.74
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008200484	0	44	-1.0	-54.35	344.49	4.81	-49.54
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008200485	0	42	-1.0	-53.34	346.90	6.88	-46.46
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300008200486	0	37	-1.0	-51.98	315.44	5.72	-46.26
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300008200487	0	34	-1.0	-54.88	316.50	6.05	-48.83
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300008200488	0	40	-1.0	-45.07	317.17	6.52	-38.55
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300008200489	0	41	-1.0	-48.24	335.53	4.99	-43.25
CC[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008200490	0	35	-1.0	-54.47	299.25	5.43	-49.04
CC[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008200491	0	35	-1.0	-54.27	314.13	5.97	-48.30
CC[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008200492	0	35	-1.0	-53.86	314.13	5.98	-47.88
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300008200493	0	36	-1.0	-63.33	301.40	-1.95	-65.28
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008200494	0	33	-1.0	-54.60	288.97	3.36	-51.24
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300008200495	0	40	-1.0	-60.23	330.54	4.45	-55.78
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008200496	0	48	-1.0	-58.78	334.37	6.94	-51.84
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC(C)(C)C(C)(F)F	REAL300008200497	0	39	-1.0	-54.44	296.98	4.48	-49.96
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300008200498	0	39	-1.0	-65.76	328.45	0.88	-64.88
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1CCC(C)(C)CO1	REAL300008200499	0	44	-1.0	-59.23	332.39	4.45	-54.78
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008200500	0	35	-1.0	-63.52	305.65	3.12	-60.40
CC[C@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008200501	0	41	-1.0	-58.94	340.44	7.02	-51.92
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008200502	0	40	-1.0	-63.12	310.03	1.63	-61.49
CC[C@H](CC(=O)[O-])NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008200503	0	44	-1.0	-57.09	325.25	6.08	-51.01
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008200504	0	35	-1.0	-55.40	300.88	5.37	-50.03
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300008200505	0	53	-1.0	-55.89	387.47	8.13	-47.76
CC[C@H](CC(=O)[O-])NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300008200506	0	42	-1.0	-55.32	329.90	5.00	-50.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300008200507	0	36	-1.0	-41.25	300.52	1.41	-39.84
CC[C@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008200508	0	43	-1.0	-39.78	313.75	4.46	-35.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300008200509	0	42	-1.0	-39.82	330.06	5.74	-34.08
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008200510	0	35	-1.0	-42.86	304.16	4.98	-37.88
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300008200511	0	35	-1.0	-57.35	295.90	3.55	-53.80
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008200512	0	35	-1.0	-56.92	303.25	3.62	-53.30
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300008200513	0	37	-1.0	-52.81	301.72	4.25	-48.56
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300008200514	0	38	-1.0	-59.01	311.42	5.73	-53.28
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008200515	0	40	-1.0	-52.53	336.95	4.46	-48.07
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300008200516	0	44	-1.0	-53.32	346.94	6.01	-47.31
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008200517	0	42	-1.0	-57.66	347.27	6.85	-50.81
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300008200518	0	37	-1.0	-42.52	292.51	5.55	-36.97
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008200519	0	32	-1.0	-56.60	288.72	2.84	-53.76
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=C1	REAL300008200520	0	42	-1.0	-55.91	341.41	5.60	-50.31
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300008200521	0	41	-1.0	-45.08	331.44	4.29	-40.79
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300008200522	0	35	-1.0	-63.27	295.72	3.30	-59.97
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008200523	0	37	-1.0	-53.62	320.28	6.74	-46.88
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008200524	0	41	-1.0	-53.55	349.36	7.94	-45.61
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008200525	0	30	-1.0	-54.02	276.63	2.94	-51.08
CCC1=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=CC=C1Br	REAL300008200526	0	37	-1.0	-51.83	317.10	5.84	-45.99
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300008200527	0	44	-1.0	-58.09	343.23	5.07	-53.02
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300008200528	0	45	-1.0	-43.11	363.54	4.44	-38.67
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008200529	0	37	-1.0	-44.33	317.10	6.53	-37.80
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2COCCC2=NN1C	REAL300008200530	0	39	-1.0	-51.03	308.36	1.90	-49.13
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300008200531	0	37	-1.0	-54.16	323.26	3.82	-50.34
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008200532	0	46	-1.0	-54.86	359.62	4.36	-50.50
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300008200533	0	34	-1.0	-53.19	291.70	1.82	-51.37
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300008200534	0	37	-1.0	-51.64	305.38	1.34	-50.30
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300008200535	0	40	-1.0	-56.07	325.32	3.94	-52.13
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300008200536	0	40	-1.0	-46.01	323.41	3.30	-42.71
CC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008200537	0	41	-1.0	-38.32	311.09	1.69	-36.63
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC(COC)=C1	REAL300008200538	0	37	-1.0	-58.65	312.02	1.96	-56.69
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008200539	0	36	-1.0	-36.45	308.15	5.74	-30.71
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300008200540	0	42	-1.0	-49.58	328.27	4.80	-44.78
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300008200541	0	38	-1.0	-42.52	311.73	3.87	-38.65
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008200542	0	38	-1.0	-54.34	308.50	5.38	-48.96
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008200543	0	33	-1.0	-44.64	285.96	3.41	-41.23
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300008200544	0	40	-1.0	-41.32	319.01	3.36	-37.96
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300008200545	0	45	-1.0	-53.33	367.34	7.59	-45.74
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008200546	0	36	-1.0	-50.06	296.25	4.81	-45.25
CC[C@H](CC(=O)[O-])NS(=O)(=O)N1CC=C(Br)CC1	REAL300008200547	0	34	-1.0	-36.64	281.82	3.42	-33.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300008200548	0	39	-1.0	-45.56	304.00	-0.39	-45.95
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300008200549	0	38	-1.0	-52.56	306.15	4.54	-48.02
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300008200550	0	37	-1.0	-40.44	324.10	2.27	-38.17
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008200551	0	36	-1.0	-44.24	294.79	4.07	-40.17
CCOC1=CC=CN=C1S(=O)(=O)N[C@H](CC)CC(=O)[O-]	REAL300008200552	0	37	-1.0	-49.44	304.70	3.47	-45.97
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300008200553	0	39	-1.0	-63.75	304.96	5.67	-58.08
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008200554	0	33	-1.0	-46.40	289.84	3.39	-43.01
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008200555	0	38	-1.0	-57.47	320.22	4.55	-52.92
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300008200556	0	44	-1.0	-43.94	348.10	6.11	-37.83
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1)C1CC2CCC1C2	REAL300008200557	0	39	-1.0	-57.53	318.39	5.76	-51.77
O=C([O-])C(NS(=O)(=O)C1=CC=CC(F)=C1)C1CC2CCC1C2	REAL300008200558	0	39	-1.0	-53.13	323.85	5.83	-47.30
CC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200559	0	44	-1.0	-61.62	360.21	6.24	-55.38
O=C([O-])C(NS(=O)(=O)C1=CC=CS1)C1CC2CCC1C2	REAL300008200560	0	36	-1.0	-44.07	309.88	4.81	-39.26
CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200561	0	51	-1.0	-55.47	394.60	8.24	-47.23
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300008200562	0	39	-1.0	-43.55	328.28	5.47	-38.08
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)S1)C1CC2CCC1C2	REAL300008200563	0	36	-1.0	-53.55	327.22	5.41	-48.14
COC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200564	0	46	-1.0	-61.89	366.07	6.34	-55.55
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C1CC2CCC1C2	REAL300008200565	0	43	-1.0	-44.01	343.29	6.01	-38.00
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200566	0	45	-1.0	-60.26	376.63	3.17	-57.09
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C1CC2CCC1C2	REAL300008200567	0	43	-1.0	-51.66	364.39	5.57	-46.09
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1OC	REAL300008200568	0	50	-1.0	-44.90	384.36	5.65	-39.25
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200569	0	42	-1.0	-41.00	346.76	7.10	-33.90
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=N1	REAL300008200570	0	39	-1.0	-58.71	323.19	3.38	-55.33
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200571	0	45	-1.0	-53.56	352.85	4.63	-48.93
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C1CC2CCC1C2	REAL300008200572	0	55	-1.0	-56.11	420.22	9.58	-46.53
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C1CC2CCC1C2	REAL300008200573	0	45	-1.0	-55.88	362.88	4.93	-50.95
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200574	0	45	-1.0	-57.24	360.67	7.10	-50.14
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1Br)C1CC2CCC1C2	REAL300008200575	0	39	-1.0	-43.96	332.60	6.50	-37.46
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Br)=C1)C1CC2CCC1C2	REAL300008200576	0	39	-1.0	-53.01	338.74	6.38	-46.63
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200577	0	44	-1.0	-61.09	349.85	7.91	-53.18
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1CC2CCC1C2	REAL300008200578	0	45	-1.0	-56.13	376.92	7.63	-48.50
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200579	0	49	-1.0	-68.23	400.60	2.31	-65.92
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200580	0	50	-1.0	-53.56	398.52	7.50	-46.06
CC1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200581	0	42	-1.0	-53.77	345.64	6.39	-47.38
O=C([O-])C(NS(=O)(=O)CCC1CC1)C1CC2CCC1C2	REAL300008200582	0	42	-1.0	-57.24	331.89	5.66	-51.58
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1CC2CCC1C2	REAL300008200583	0	45	-1.0	-56.11	361.63	6.10	-50.01
COCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200584	0	46	-1.0	-56.65	371.00	5.38	-51.27
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=N1	REAL300008200585	0	45	-1.0	-53.92	366.87	3.25	-50.67
CS(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200586	0	44	-1.0	-72.71	366.31	1.80	-70.91
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C)=C1C	REAL300008200587	0	49	-1.0	-43.89	371.26	6.37	-37.52
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1CC2CCC1C2	REAL300008200588	0	44	-1.0	-55.48	359.25	6.15	-49.33
O=C([O-])C(NS(=O)(=O)CC1=NOC=C1)C1CC2CCC1C2	REAL300008200589	0	38	-1.0	-47.95	312.36	3.50	-44.45
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=NN1C	REAL300008200590	0	42	-1.0	-45.73	338.97	3.96	-41.77
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=NN1C1=CC=CC=N1	REAL300008200591	0	48	-1.0	-52.76	388.57	6.98	-45.78
CCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1C	REAL300008200592	0	48	-1.0	-56.62	372.21	5.47	-51.15
CC(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=N1	REAL300008200593	0	45	-1.0	-56.33	361.57	4.75	-51.58
CC(C)CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200594	0	48	-1.0	-56.32	377.62	7.23	-49.09
CC(C)N1C=NC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200595	0	45	-1.0	-52.44	362.08	6.13	-46.31
CC(C)C1=NC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CN1	REAL300008200596	0	45	-1.0	-56.58	355.49	4.81	-51.77
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200597	0	51	-1.0	-47.81	367.93	8.20	-39.61
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200598	0	47	-1.0	-72.12	384.45	5.09	-67.03
CC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200599	0	42	-1.0	-41.63	329.49	6.29	-35.34
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C1CC2CCC1C2	REAL300008200600	0	45	-1.0	-43.44	366.58	8.29	-35.15
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C1CC2CCC1C2	REAL300008200601	0	43	-1.0	-55.42	362.94	5.40	-50.02
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200602	0	54	-1.0	-57.62	408.30	6.58	-51.04
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1CC2CCC1C2	REAL300008200603	0	42	-1.0	-55.52	351.95	6.59	-48.93
COCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200604	0	50	-1.0	-63.19	399.74	5.40	-57.79
COCCC(C)S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200605	0	45	-1.0	-56.53	342.99	3.93	-52.60
COC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200606	0	43	-1.0	-61.32	351.06	5.75	-55.57
CCC(C)CS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200607	0	44	-1.0	-58.42	336.63	5.63	-52.79
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=CC=C2C=C1	REAL300008200608	0	47	-1.0	-51.07	355.76	7.10	-43.97
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1CC2CCC1C2	REAL300008200609	0	47	-1.0	-70.85	381.57	7.53	-63.32
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C1CC2CCC1C2	REAL300008200610	0	50	-1.0	-57.47	395.77	4.20	-53.27
CCCN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200611	0	45	-1.0	-55.86	360.40	7.01	-48.85
O=C([O-])C(NS(=O)(=O)CCOCC1CC1)C1CC2CCC1C2	REAL300008200612	0	46	-1.0	-55.33	368.37	5.07	-50.26
CC(COC1CCCC1)CS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200613	0	55	-1.0	-59.06	418.79	7.15	-51.91
CCOCC(C)CS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200614	0	48	-1.0	-59.86	374.11	5.07	-54.79
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1CC2CCC1C2	REAL300008200615	0	47	-1.0	-53.98	376.55	3.41	-50.57
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C1CC2CCC1C2	REAL300008200616	0	43	-1.0	-56.84	360.77	6.02	-50.82
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CC=C1[N+](=O)[O-]	REAL300008200617	0	45	-1.0	-51.43	373.91	6.51	-44.92
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200618	0	45	-1.0	-40.35	368.77	7.58	-32.77
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200619	0	45	-1.0	-42.28	370.20	7.61	-34.67
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CC=C1C(F)(F)F	REAL300008200620	0	45	-1.0	-52.04	372.82	7.29	-44.75
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200621	0	48	-1.0	-46.11	368.89	7.86	-38.25
CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200622	0	46	-1.0	-55.99	368.79	5.98	-50.01
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=N1	REAL300008200623	0	46	-1.0	-53.80	378.31	3.29	-50.51
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C1CC2CCC1C2	REAL300008200624	0	46	-1.0	-57.51	380.27	6.19	-51.32
O=C([O-])C(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C1CC2CCC1C2	REAL300008200625	0	47	-1.0	-60.28	391.71	7.94	-52.34
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C1CC2CCC1C2	REAL300008200626	0	44	-1.0	-57.88	359.59	6.11	-51.77
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C1CC2CCC1C2	REAL300008200627	0	46	-1.0	-68.60	382.47	3.52	-65.08
COCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200628	0	46	-1.0	-45.21	360.63	5.83	-39.38
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1CC2CCC1C2	REAL300008200629	0	42	-1.0	-59.77	360.77	4.73	-55.04
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1CC2CCC1C2	REAL300008200630	0	42	-1.0	-53.70	354.65	4.57	-49.13
CC1(C)CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)=CC=C2O1	REAL300008200631	0	50	-1.0	-56.19	395.22	6.91	-49.28
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C1CC2CCC1C2	REAL300008200632	0	42	-1.0	-47.92	357.45	4.85	-43.07
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200633	0	43	-1.0	-46.72	351.77	6.82	-39.90
CCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200634	0	45	-1.0	-56.51	360.34	7.19	-49.32
CCC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200635	0	48	-1.0	-58.73	381.58	7.78	-50.95
O=C([O-])C(NS(=O)(=O)CCC1=CC=CS1)C1CC2CCC1C2	REAL300008200636	0	42	-1.0	-57.07	350.41	6.21	-50.86
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1C	REAL300008200637	0	48	-1.0	-59.71	379.52	7.67	-52.04
CC1=NOC(CS(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200638	0	41	-1.0	-42.43	330.85	4.66	-37.77
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)=CC=C21	REAL300008200639	0	51	-1.0	-57.10	408.47	7.20	-49.90
CCS(=O)(=O)NCCS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200640	0	46	-1.0	-61.97	381.21	0.50	-61.47
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)OC2=CC=C(F)C=C12	REAL300008200641	0	45	-1.0	-54.90	368.44	6.75	-48.15
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C1CC2CCC1C2	REAL300008200642	0	42	-1.0	-44.71	373.56	7.75	-36.96
O=C([O-])C(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C1CC2CCC1C2	REAL300008200643	0	42	-1.0	-44.13	367.11	7.67	-36.46
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C1CC2CCC1C2	REAL300008200644	0	45	-1.0	-49.25	375.95	8.58	-40.67
O=C([O-])C(NS(=O)(=O)CCC1CCCO1)C1CC2CCC1C2	REAL300008200645	0	46	-1.0	-47.23	351.87	4.59	-42.64
O=C([O-])C(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C1CC2CCC1C2	REAL300008200646	0	45	-1.0	-59.15	378.80	7.44	-51.71
O=C([O-])C(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C1CC2CCC1C2	REAL300008200647	0	50	-1.0	-58.76	396.08	6.96	-51.80
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C2=CC=CC(C)=C2S1	REAL300008200648	0	48	-1.0	-59.43	390.14	8.81	-50.62
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1N(C)C	REAL300008200649	0	50	-1.0	-55.28	392.34	6.42	-48.86
O=C([O-])C(NS(=O)(=O)C1=C2OCCCN2N=C1)C1CC2CCC1C2	REAL300008200650	0	44	-1.0	-46.65	340.70	2.65	-44.00
O=C([O-])C(NS(=O)(=O)CCOCC1CCCC1)C1CC2CCC1C2	REAL300008200651	0	52	-1.0	-55.23	402.07	6.22	-49.01
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1Cl	REAL300008200652	0	46	-1.0	-44.29	375.99	6.27	-38.02
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1Cl	REAL300008200653	0	43	-1.0	-56.41	372.68	7.22	-49.19
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200654	0	51	-1.0	-53.34	393.14	6.18	-47.16
O=C([O-])C(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C1CC2CCC1C2	REAL300008200655	0	47	-1.0	-52.56	387.11	4.19	-48.37
CCC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=C12	REAL300008200656	0	46	-1.0	-49.49	379.08	3.38	-46.11
CN1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)=CN=C21	REAL300008200657	0	44	-1.0	-51.84	360.32	4.77	-47.07
CCC1=CC(CC)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(CC)=C1	REAL300008200658	0	57	-1.0	-55.58	413.24	10.05	-45.53
O=C([O-])C(NS(=O)(=O)C1=CN2CCCCC2=N1)C1CC2CCC1C2	REAL300008200659	0	46	-1.0	-58.82	357.49	6.40	-52.42
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C1CC2CCC1C2	REAL300008200660	0	48	-1.0	-46.55	381.74	9.53	-37.02
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C)=C1F	REAL300008200661	0	46	-1.0	-44.21	360.02	5.78	-38.43
CC1(CS(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)CCCCC1	REAL300008200662	0	51	-1.0	-59.20	357.12	6.88	-52.32
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C1CC2CCC1C2	REAL300008200663	0	48	-1.0	-57.65	375.86	7.04	-50.61
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1CC2CCC1C2	REAL300008200665	0	47	-1.0	-52.59	387.90	7.03	-45.56
CN1N=NC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200666	0	38	-1.0	-44.49	311.27	2.27	-42.22
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200667	0	46	-1.0	-55.04	389.62	5.88	-49.16
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(F)=C1	REAL300008200668	0	45	-1.0	-63.41	368.73	7.18	-56.23
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C1CC2CCC1C2	REAL300008200670	0	39	-1.0	-53.11	350.78	5.99	-47.12
O=C([O-])C(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C1CC2CCC1C2	REAL300008200671	0	52	-1.0	-61.47	402.22	8.87	-52.60
CC(C)(C)C1=CC(CS(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=NO1	REAL300008200672	0	50	-1.0	-57.96	399.20	6.48	-51.48
O=C([O-])C(NS(=O)(=O)CCC1CCC1)C1CC2CCC1C2	REAL300008200673	0	45	-1.0	-58.68	350.36	6.18	-52.50
O=C([O-])C(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C1CC2CCC1C2	REAL300008200674	0	48	-1.0	-50.18	375.07	2.72	-47.46
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC2CCC1C2	REAL300008200675	0	42	-1.0	-45.64	350.64	6.14	-39.50
CC1=C(CCS(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)SC=N1	REAL300008200676	0	44	-1.0	-56.90	363.71	4.84	-52.06
COCC1(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300008200677	0	43	-1.0	-60.49	324.38	4.70	-55.79
O=C([O-])C(NS(=O)(=O)CC12CCC(CC1)C2)C1CC2CCC1C2	REAL300008200678	0	49	-1.0	-42.28	360.66	6.99	-35.29
COC1=CC=C2C=C(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)CCC2=C1	REAL300008200679	0	51	-1.0	-46.86	400.21	7.45	-39.41
O=C([O-])C(NS(=O)(=O)CCC1CCOC1)C1CC2CCC1C2	REAL300008200680	0	46	-1.0	-59.00	356.63	4.26	-54.74
CC(C)(CCS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2)S(C)(=O)=O	REAL300008200681	0	50	-1.0	-64.65	390.58	2.88	-61.77
O=C([O-])C(NS(=O)(=O)CC1CCCCC1(F)F)C1CC2CCC1C2	REAL300008200682	0	48	-1.0	-47.38	370.19	6.92	-40.46
O=C([O-])C(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1CC2CCC1C2	REAL300008200683	0	46	-1.0	-46.16	368.72	7.82	-38.34
CN1C=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300008200684	0	39	-1.0	-58.86	324.06	3.33	-55.53
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1[N+](=O)[O-]	REAL300008200685	0	47	-1.0	-52.03	379.44	7.59	-44.44
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C=C1)C1CC2CCC1C2	REAL300008200686	0	39	-1.0	-53.57	334.50	6.18	-47.39
O=C([O-])C(NS(=O)(=O)C1=CC=C(Br)C=C1)C1CC2CCC1C2	REAL300008200687	0	39	-1.0	-53.34	339.07	6.28	-47.06
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1CC2CCC1C2	REAL300008200688	0	41	-1.0	-51.47	345.99	6.32	-45.15
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C1CC2CCC1C2	REAL300008200689	0	45	-1.0	-57.38	363.30	8.02	-49.36
O=C([O-])C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1CC2CCC1C2	REAL300008200690	0	41	-1.0	-52.45	345.67	6.43	-46.02
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200691	0	44	-1.0	-41.06	353.93	7.13	-33.93
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200692	0	43	-1.0	-56.07	347.25	4.97	-51.10
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1CC2CCC1C2	REAL300008200693	0	41	-1.0	-50.43	329.49	7.28	-43.15
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200694	0	42	-1.0	-57.75	339.20	6.34	-51.41
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200695	0	46	-1.0	-54.44	367.26	5.87	-48.57
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1C	REAL300008200696	0	51	-1.0	-55.87	377.34	8.35	-47.52
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C)=C1	REAL300008200697	0	48	-1.0	-57.19	365.23	7.85	-49.34
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200698	0	54	-1.0	-43.41	401.76	8.77	-34.64
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C1CC2CCC1C2	REAL300008200699	0	42	-1.0	-52.74	356.18	6.76	-45.98
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200700	0	42	-1.0	-57.21	339.80	6.44	-50.77
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1)C1CC2CCC1C2	REAL300008200701	0	43	-1.0	-56.07	350.57	6.98	-49.09
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C1CC2CCC1C2	REAL300008200702	0	42	-1.0	-44.15	336.14	7.14	-37.01
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1)C1CC2CCC1C2	REAL300008200703	0	39	-1.0	-53.13	334.18	6.28	-46.85
CC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200704	0	44	-1.0	-54.88	358.66	6.15	-48.73
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200705	0	45	-1.0	-42.94	347.00	7.11	-35.83
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1C	REAL300008200706	0	45	-1.0	-57.47	356.81	6.98	-50.49
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C)=C1	REAL300008200707	0	45	-1.0	-44.61	351.44	7.25	-37.36
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1[N+](=O)[O-]	REAL300008200708	0	45	-1.0	-53.08	372.95	6.50	-46.58
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200709	0	51	-1.0	-56.84	393.99	7.98	-48.86
CC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200710	0	48	-1.0	-56.99	377.99	7.59	-49.40
CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200711	0	48	-1.0	-57.12	382.17	7.88	-49.24
COC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200712	0	43	-1.0	-45.39	330.10	5.78	-39.61
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1)C1CC2CCC1C2	REAL300008200713	0	42	-1.0	-59.32	341.07	6.47	-52.85
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C1CC2CCC1C2	REAL300008200714	0	43	-1.0	-52.45	361.91	5.45	-47.00
CC1=C(C)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C)=C1C	REAL300008200715	0	54	-1.0	-57.95	392.95	8.96	-48.99
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C1CC2CCC1C2	REAL300008200716	0	48	-1.0	-57.58	380.26	5.70	-51.88
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200717	0	55	-1.0	-62.64	420.83	8.00	-54.64
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1[N+](=O)[O-]	REAL300008200718	0	44	-1.0	-52.38	361.67	6.98	-45.40
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200719	0	57	-1.0	-56.62	421.30	9.59	-47.03
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C1CC2CCC1C2	REAL300008200720	0	42	-1.0	-52.75	356.54	6.66	-46.09
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C1CC2CCC1C2	REAL300008200721	0	49	-1.0	-48.05	381.31	8.23	-39.82
COC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200722	0	47	-1.0	-64.27	374.12	4.97	-59.30
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1OC	REAL300008200723	0	47	-1.0	-56.84	376.13	4.96	-51.88
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCC2=C1)C1CC2CCC1C2	REAL300008200724	0	46	-1.0	-58.64	363.34	7.56	-51.08
CC1=NOC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200725	0	41	-1.0	-51.33	328.41	4.50	-46.83
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C1CC2CCC1C2	REAL300008200726	0	47	-1.0	-56.60	372.22	8.18	-48.42
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCC2=C1)C1CC2CCC1C2	REAL300008200727	0	44	-1.0	-56.24	353.73	5.50	-50.74
CC(C)CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200728	0	54	-1.0	-55.78	419.39	9.16	-46.62
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1OCC	REAL300008200729	0	53	-1.0	-57.03	420.83	6.81	-50.22
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200730	0	44	-1.0	-59.10	371.96	0.62	-58.48
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1C	REAL300008200731	0	47	-1.0	-43.31	376.04	7.83	-35.48
CC1=CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)=C2N=C1	REAL300008200732	0	47	-1.0	-52.44	363.05	7.37	-45.07
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C([N+](=O)[O-])=C1	REAL300008200733	0	45	-1.0	-49.96	358.92	6.58	-43.38
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200734	0	43	-1.0	-41.99	346.67	6.29	-35.70
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200735	0	44	-1.0	-58.47	371.68	0.71	-57.76
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C2=CC=CN=C12	REAL300008200736	0	47	-1.0	-46.84	367.48	6.80	-40.04
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1C	REAL300008200737	0	47	-1.0	-49.70	367.28	8.30	-41.40
O=C([O-])C(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C1CC2CCC1C2	REAL300008200738	0	51	-1.0	-69.62	404.20	5.11	-64.51
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200739	0	45	-1.0	-60.79	379.10	3.30	-57.49
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C1CC2CCC1C2	REAL300008200740	0	49	-1.0	-49.69	382.26	9.70	-39.99
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C1CC2CCC1C2	REAL300008200741	0	45	-1.0	-49.88	359.24	8.08	-41.80
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1CC2CCC1C2	REAL300008200742	0	49	-1.0	-56.40	391.61	9.17	-47.23
CC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200743	0	42	-1.0	-40.71	332.00	6.51	-34.20
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NSN=C21)C1CC2CCC1C2	REAL300008200744	0	40	-1.0	-48.58	329.52	4.24	-44.34
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200745	0	43	-1.0	-60.54	361.38	6.20	-54.34
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200746	0	43	-1.0	-56.55	347.89	5.07	-51.48
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200747	0	54	-1.0	-56.90	408.19	8.45	-48.45
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1Cl	REAL300008200748	0	42	-1.0	-53.52	353.86	6.89	-46.63
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200749	0	49	-1.0	-55.26	385.19	6.51	-48.75
CCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200750	0	45	-1.0	-43.88	346.64	7.46	-36.42
CC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200751	0	42	-1.0	-44.15	331.71	6.65	-37.50
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CN1C	REAL300008200752	0	42	-1.0	-57.01	336.07	5.29	-51.72
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NON=C21)C1CC2CCC1C2	REAL300008200753	0	40	-1.0	-52.34	323.25	4.60	-47.74
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C1CC2CCC1C2	REAL300008200754	0	44	-1.0	-64.99	356.15	6.65	-58.34
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200755	0	45	-1.0	-40.63	357.87	6.40	-34.23
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1F	REAL300008200756	0	43	-1.0	-57.84	353.18	5.13	-52.71
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1F	REAL300008200757	0	42	-1.0	-53.30	345.10	6.47	-46.83
CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200758	0	39	-1.0	-53.56	311.78	5.55	-48.01
O=C([O-])C(NS(=O)(=O)C1=CC=CN=C1)C1CC2CCC1C2	REAL300008200759	0	38	-1.0	-57.29	312.83	3.85	-53.44
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C1CC2CCC1C2	REAL300008200760	0	42	-1.0	-59.21	373.91	7.45	-51.76
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C2=CC=CC=C12	REAL300008200761	0	49	-1.0	-47.49	380.53	7.22	-40.27
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200762	0	44	-1.0	-40.02	358.41	7.28	-32.74
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200763	0	44	-1.0	-42.70	348.15	6.93	-35.77
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200764	0	47	-1.0	-43.10	377.39	8.16	-34.94
CC(C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200765	0	51	-1.0	-55.91	397.15	8.34	-47.57
COCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200766	0	49	-1.0	-57.04	394.34	6.17	-50.87
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200767	0	42	-1.0	-42.49	348.17	7.12	-35.37
COC1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1C	REAL300008200768	0	49	-1.0	-56.36	389.09	6.45	-49.91
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200769	0	55	-1.0	-53.95	427.82	7.98	-45.97
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C1CC2CCC1C2	REAL300008200770	0	53	-1.0	-55.36	412.43	8.01	-47.35
CC(C)COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200771	0	52	-1.0	-54.08	408.86	7.37	-46.71
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200772	0	49	-1.0	-54.07	388.76	6.67	-47.40
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1Cl	REAL300008200773	0	43	-1.0	-56.97	362.99	5.61	-51.36
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1C	REAL300008200774	0	46	-1.0	-56.37	366.98	5.80	-50.57
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CC=C1OC(C)C	REAL300008200775	0	52	-1.0	-56.23	407.72	7.36	-48.87
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C)=C1	REAL300008200776	0	46	-1.0	-44.96	361.19	5.95	-39.01
COCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200777	0	50	-1.0	-57.57	402.72	5.16	-52.41
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1F)C1CC2CCC1C2	REAL300008200778	0	42	-1.0	-58.75	344.01	6.37	-52.38
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1C	REAL300008200779	0	47	-1.0	-61.39	365.57	8.60	-52.79
CC1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300008200780	0	41	-1.0	-43.67	339.69	4.26	-39.41
O=C([O-])C(NS(=O)(=O)C1=CSC2=CC=CC=C21)C1CC2CCC1C2	REAL300008200781	0	42	-1.0	-47.74	352.56	7.17	-40.57
O=C([O-])C(NS(=O)(=O)CC1CCCC1)C1CC2CCC1C2	REAL300008200782	0	45	-1.0	-59.20	343.84	6.08	-53.12
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CC=C1F	REAL300008200783	0	43	-1.0	-53.15	354.11	5.14	-48.01
O=C([O-])C(NS(=O)(=O)C1=CSC=C1)C1CC2CCC1C2	REAL300008200784	0	36	-1.0	-54.98	307.37	4.57	-50.41
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C1CC2CCC1C2	REAL300008200785	0	49	-1.0	-56.99	392.59	9.19	-47.80
O=C([O-])C(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C1CC2CCC1C2	REAL300008200786	0	42	-1.0	-56.93	374.56	7.48	-49.45
CNC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CN1C	REAL300008200787	0	47	-1.0	-55.97	381.96	3.42	-52.55
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C)=C1	REAL300008200788	0	49	-1.0	-54.95	372.53	6.51	-48.44
O=C([O-])C(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C1CC2CCC1C2	REAL300008200789	0	50	-1.0	-56.11	400.17	9.77	-46.34
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1C	REAL300008200790	0	49	-1.0	-58.47	378.07	6.58	-51.89
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C2=CC=CN=C2C=C1	REAL300008200791	0	47	-1.0	-57.45	362.34	6.95	-50.50
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C1CC2CCC1C2	REAL300008200792	0	44	-1.0	-46.76	347.52	6.07	-40.69
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C([N+](=O)[O-])=N1	REAL300008200793	0	44	-1.0	-53.39	367.43	6.61	-46.78
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200794	0	47	-1.0	-61.41	380.52	7.03	-54.38
O=C([O-])C(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1CC2CCC1C2	REAL300008200795	0	49	-1.0	-58.23	402.78	7.23	-51.00
O=C([O-])C(NS(=O)(=O)C1=CN=C2NC=CC=C12)C1CC2CCC1C2	REAL300008200796	0	42	-1.0	-64.63	346.79	4.94	-59.69
CC1=CC=CC(CS(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200797	0	45	-1.0	-59.96	363.41	7.15	-52.81
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(F)=C1)C1CC2CCC1C2	REAL300008200798	0	42	-1.0	-61.10	348.40	6.54	-54.56
CC1=CC=CC=C1CS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200799	0	45	-1.0	-58.30	353.03	7.00	-51.30
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200800	0	49	-1.0	-61.97	387.90	7.26	-54.71
O=C([O-])C(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C1CC2CCC1C2	REAL300008200801	0	44	-1.0	-73.54	366.74	5.93	-67.61
O=C([O-])C(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C1CC2CCC1C2	REAL300008200802	0	46	-1.0	-54.43	379.12	6.79	-47.64
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200803	0	53	-1.0	-56.33	422.74	6.11	-50.22
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200804	0	55	-1.0	-55.14	433.59	8.25	-46.89
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C1CC2CCC1C2	REAL300008200805	0	49	-1.0	-45.65	368.99	8.29	-37.36
O=C([O-])C(NS(=O)(=O)C1=CC=C2COCC2=C1)C1CC2CCC1C2	REAL300008200806	0	44	-1.0	-55.42	353.74	4.96	-50.46
O=C([O-])C(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C1CC2CCC1C2	REAL300008200807	0	47	-1.0	-64.11	380.97	7.01	-57.10
O=C([O-])C(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C1CC2CCC1C2	REAL300008200808	0	44	-1.0	-56.87	366.07	5.84	-51.03
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C)=C1	REAL300008200809	0	49	-1.0	-44.79	381.54	6.84	-37.95
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C1CC2CCC1C2	REAL300008200810	0	43	-1.0	-44.26	336.56	5.79	-38.47
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200811	0	43	-1.0	-55.42	357.96	6.68	-48.74
CCCCCCCS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200812	0	50	-1.0	-57.93	388.66	7.36	-50.57
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C1CC2CCC1C2	REAL300008200813	0	45	-1.0	-61.50	380.72	7.47	-54.03
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)N=C1C	REAL300008200814	0	45	-1.0	-67.39	364.62	5.47	-61.92
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C1CC2CCC1C2	REAL300008200815	0	45	-1.0	-49.33	359.84	5.34	-43.99
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C1CC2CCC1C2	REAL300008200816	0	44	-1.0	-46.62	349.23	6.26	-40.36
O=C([O-])C(NS(=O)(=O)CC1CCCO1)C1CC2CCC1C2	REAL300008200817	0	43	-1.0	-45.15	336.50	3.92	-41.23
O=C([O-])C(NS(=O)(=O)CC1CCCCO1)C1CC2CCC1C2	REAL300008200818	0	46	-1.0	-44.27	353.89	5.00	-39.27
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1C(F)(F)F	REAL300008200819	0	45	-1.0	-52.53	371.87	7.28	-45.25
O=C([O-])C(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C1CC2CCC1C2	REAL300008200820	0	48	-1.0	-47.18	381.47	7.35	-39.83
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=C12	REAL300008200821	0	47	-1.0	-55.18	384.15	5.36	-49.82
COCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200822	0	46	-1.0	-57.94	373.46	5.50	-52.44
CC1(C)CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)=C2O1	REAL300008200823	0	50	-1.0	-51.45	394.83	6.98	-44.47
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=N1	REAL300008200824	0	42	-1.0	-58.62	344.73	4.24	-54.38
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1Cl)C1CC2CCC1C2	REAL300008200825	0	42	-1.0	-57.61	352.08	6.78	-50.83
CN1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200826	0	39	-1.0	-44.69	318.20	3.44	-41.25
O=C([O-])C(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C1CC2CCC1C2	REAL300008200827	0	42	-1.0	-59.03	369.03	7.38	-51.65
O=C([O-])C(NS(=O)(=O)CC1CCOC1)C1CC2CCC1C2	REAL300008200828	0	43	-1.0	-42.75	335.96	3.59	-39.16
CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)=CC=C2O1	REAL300008200829	0	47	-1.0	-55.01	372.86	6.26	-48.75
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200830	0	51	-1.0	-56.09	368.48	8.70	-47.39
O=C([O-])C(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C1CC2CCC1C2	REAL300008200831	0	45	-1.0	-55.01	373.56	5.93	-49.08
CCCCCS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200832	0	44	-1.0	-58.24	346.57	5.80	-52.44
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=C2)=CO1	REAL300008200833	0	48	-1.0	-58.05	394.17	4.72	-53.33
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C(F)(F)F)=N1	REAL300008200834	0	42	-1.0	-48.03	352.31	4.61	-43.42
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C(C)O1	REAL300008200835	0	42	-1.0	-43.81	334.23	5.08	-38.73
CC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200836	0	39	-1.0	-45.33	332.17	5.41	-39.92
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C1CC2CCC1C2	REAL300008200837	0	42	-1.0	-53.61	348.38	6.12	-47.49
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCOC2=C1)C1CC2CCC1C2	REAL300008200838	0	42	-1.0	-52.47	341.99	4.31	-48.16
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=N1	REAL300008200839	0	42	-1.0	-54.18	345.01	2.33	-51.85
O=C([O-])C(NS(=O)(=O)C1=CN=C2CCCN21)C1CC2CCC1C2	REAL300008200840	0	43	-1.0	-58.37	338.91	4.90	-53.47
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)SC=C1	REAL300008200841	0	39	-1.0	-44.72	326.17	5.63	-39.09
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C1CC2CCC1C2	REAL300008200842	0	47	-1.0	-56.50	371.16	6.39	-50.11
CC1=CC=C(N2C=C(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=N2)C=C1	REAL300008200843	0	49	-1.0	-53.00	398.68	7.46	-45.54
CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)=CC(Cl)=C2O1	REAL300008200844	0	47	-1.0	-52.45	392.17	6.89	-45.56
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CC=C1[N+](=O)[O-]	REAL300008200845	0	44	-1.0	-50.66	362.60	6.95	-43.71
O=C([O-])C(NS(=O)(=O)CCCCF)C1CC2CCC1C2	REAL300008200846	0	41	-1.0	-58.28	330.76	5.15	-53.13
CC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200847	0	42	-1.0	-47.42	340.49	4.00	-43.42
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)O1	REAL300008200848	0	39	-1.0	-48.03	322.48	4.62	-43.41
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)N(C)N=C1	REAL300008200849	0	42	-1.0	-44.85	334.29	4.24	-40.61
O=C([O-])C(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C1CC2CCC1C2	REAL300008200850	0	41	-1.0	-53.24	347.99	5.14	-48.10
CN(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200851	0	47	-1.0	-58.88	368.84	6.06	-52.82
CC1=CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=C2C=C1	REAL300008200852	0	48	-1.0	-56.88	384.68	8.69	-48.19
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)SC=C1	REAL300008200853	0	40	-1.0	-45.55	328.63	3.71	-41.84
C=CCCCS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200854	0	42	-1.0	-58.26	336.98	5.57	-52.69
CN(C)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200855	0	47	-1.0	-57.44	368.80	6.07	-51.37
O=C([O-])C(NS(=O)(=O)CC1CCC1)C1CC2CCC1C2	REAL300008200856	0	42	-1.0	-58.81	329.41	5.54	-53.27
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCC2)C1CC2CCC1C2	REAL300008200857	0	44	-1.0	-49.26	342.51	6.15	-43.11
O=C([O-])C(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C1CC2CCC1C2	REAL300008200858	0	44	-1.0	-59.23	364.46	5.80	-53.43
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCOC2=C1)C1CC2CCC1C2	REAL300008200859	0	44	-1.0	-55.67	351.76	5.49	-50.18
O=C([O-])C(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C1CC2CCC1C2	REAL300008200860	0	45	-1.0	-56.91	379.32	7.78	-49.13
CN1CCCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=C21	REAL300008200861	0	51	-1.0	-56.46	391.65	6.30	-50.16
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C1CC2CCC1C2	REAL300008200862	0	41	-1.0	-49.58	352.57	4.88	-44.70
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200863	0	47	-1.0	-65.80	369.69	6.33	-59.47
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200864	0	47	-1.0	-43.41	372.92	7.76	-35.65
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1[N+](=O)[O-]	REAL300008200865	0	47	-1.0	-61.33	372.13	8.69	-52.64
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1[N+](=O)[O-]	REAL300008200866	0	47	-1.0	-43.96	379.13	7.93	-36.03
COC1=CC=C(CCS(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200867	0	49	-1.0	-58.70	393.00	6.57	-52.13
COC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200868	0	42	-1.0	-54.81	342.04	3.22	-51.59
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300008200869	0	48	-1.0	-47.11	391.59	7.38	-39.73
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C1CC2CCC1C2	REAL300008200870	0	46	-1.0	-44.08	363.70	7.76	-36.32
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CC(OC)=C1	REAL300008200871	0	47	-1.0	-59.30	376.78	4.27	-55.03
O=C([O-])C(NS(=O)(=O)CCC1CCCCC1)C1CC2CCC1C2	REAL300008200872	0	51	-1.0	-57.99	383.35	7.43	-50.56
CC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1CC3CCC1C3)OCO2	REAL300008200873	0	45	-1.0	-43.76	356.13	5.28	-38.48
O=C([O-])C(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C1CC2CCC1C2	REAL300008200874	0	42	-1.0	-49.02	333.53	6.31	-42.71
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CC=C1Cl	REAL300008200875	0	43	-1.0	-52.55	362.96	5.62	-46.93
O=C([O-])C(NS(=O)(=O)CCC1CCCC1)C1CC2CCC1C2	REAL300008200876	0	48	-1.0	-58.24	366.88	6.85	-51.39
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C2=NC=CC=C2C=C1	REAL300008200877	0	47	-1.0	-70.67	366.51	7.36	-63.31
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1CC	REAL300008200878	0	51	-1.0	-56.33	394.50	8.33	-48.00
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200879	0	47	-1.0	-48.76	371.34	7.88	-40.88
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200880	0	49	-1.0	-63.20	378.42	7.29	-55.91
CC1=C(C)SC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200881	0	42	-1.0	-46.09	350.16	6.17	-39.92
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200882	0	40	-1.0	-52.46	338.18	3.73	-48.73
CC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300008200883	0	38	-1.0	-45.15	327.14	3.57	-41.58
CCC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300008200884	0	41	-1.0	-44.88	348.62	4.32	-40.56
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(N)=NO1	REAL300008200885	0	40	-1.0	-50.38	324.57	3.07	-47.31
CN(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=N1	REAL300008200886	0	46	-1.0	-56.81	365.89	5.47	-51.34
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300008200887	0	42	-1.0	-46.60	348.21	6.37	-40.23
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C1CC2CCC1C2	REAL300008200888	0	45	-1.0	-49.89	360.99	7.57	-42.32
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCO2)C1CC2CCC1C2	REAL300008200889	0	42	-1.0	-45.32	326.09	4.18	-41.14
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CC(C)=C1F	REAL300008200890	0	45	-1.0	-52.08	362.98	6.99	-45.09
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C1CC2CCC1C2	REAL300008200891	0	46	-1.0	-65.02	373.42	5.50	-59.52
O=C([O-])C(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C1CC2CCC1C2	REAL300008200892	0	41	-1.0	-48.78	335.27	5.67	-43.11
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=N1	REAL300008200893	0	41	-1.0	-54.45	334.45	4.47	-49.98
COC(CS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1CC1	REAL300008200894	0	46	-1.0	-59.58	357.15	4.96	-54.62
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C1CC2CCC1C2	REAL300008200895	0	42	-1.0	-57.36	355.41	6.86	-50.50
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CC=C1Cl	REAL300008200896	0	42	-1.0	-53.10	353.84	6.87	-46.23
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1CC2CCC1C2	REAL300008200897	0	45	-1.0	-69.53	365.89	6.64	-62.89
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C1CC2CCC1C2	REAL300008200898	0	47	-1.0	-50.27	368.89	6.92	-43.35
O=C([O-])C(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C1CC2CCC1C2	REAL300008200899	0	46	-1.0	-63.30	382.89	3.52	-59.78
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C1CC2CCC1C2	REAL300008200900	0	48	-1.0	-53.55	367.01	6.36	-47.19
O=C([O-])C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C1CC2CCC1C2	REAL300008200901	0	42	-1.0	-57.69	360.97	7.00	-50.69
CCC1(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300008200902	0	42	-1.0	-61.37	321.68	5.58	-55.79
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200903	0	52	-1.0	-56.22	408.48	7.43	-48.79
COC(CS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1CCCC1	REAL300008200904	0	52	-1.0	-57.48	394.22	6.07	-51.41
COC(CS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1CCCCC1	REAL300008200905	0	55	-1.0	-55.41	406.92	6.56	-48.85
CCOC(CS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1CC1	REAL300008200906	0	49	-1.0	-58.70	382.56	6.07	-52.63
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CN1CC1CC1	REAL300008200907	0	52	-1.0	-57.73	410.40	8.32	-49.41
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C1CC2CCC1C2	REAL300008200908	0	42	-1.0	-43.91	354.21	5.20	-38.71
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C)=C1[N+](=O)[O-]	REAL300008200909	0	47	-1.0	-44.46	373.99	8.01	-36.45
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200910	0	46	-1.0	-43.71	360.84	5.51	-38.20
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200911	0	42	-1.0	-44.21	359.21	4.41	-39.80
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C1CC2CCC1C2	REAL300008200912	0	49	-1.0	-51.71	382.77	9.16	-42.55
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C(C)C=C1OC	REAL300008200913	0	52	-1.0	-58.64	399.68	7.31	-51.33
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300008200914	1	41	-1.0	-50.65	336.04	4.95	-45.70
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C2=CC=CC=C2C=C1	REAL300008200915	0	48	-1.0	-58.20	370.31	8.93	-49.27
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=N1	REAL300008200916	0	48	-1.0	-52.67	385.16	4.18	-48.49
COC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200917	0	43	-1.0	-48.25	351.74	5.75	-42.50
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1C(C)C	REAL300008200918	0	55	-1.0	-56.60	427.40	8.01	-48.59
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1F	REAL300008200919	0	51	-1.0	-52.48	396.62	8.03	-44.45
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200920	0	49	-1.0	-47.74	375.17	5.80	-41.94
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C(C)(C)C)=N1	REAL300008200921	0	51	-1.0	-42.69	383.45	6.03	-36.66
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C1CC2CCC1C2	REAL300008200922	0	49	-1.0	-55.35	384.22	6.01	-49.34
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200923	0	42	-1.0	-42.03	347.66	4.63	-37.40
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200924	0	46	-1.0	-60.76	376.56	5.91	-54.85
C=CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300008200925	0	49	-1.0	-56.98	394.98	8.44	-48.54
CCC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200926	0	45	-1.0	-48.08	363.03	4.83	-43.25
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C1CC2CCC1C2	REAL300008200927	0	43	-1.0	-55.73	367.64	7.41	-48.32
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1CC	REAL300008200928	0	55	-1.0	-54.32	431.98	8.27	-46.05
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200929	0	45	-1.0	-50.90	360.71	7.79	-43.11
O=C([O-])C(NS(=O)(=O)CCCC1CC1)C1CC2CCC1C2	REAL300008200930	0	45	-1.0	-57.61	353.39	6.44	-51.17
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C1CC2CCC1C2	REAL300008200931	0	43	-1.0	-56.03	363.32	7.31	-48.72
CCCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200932	0	48	-1.0	-44.36	371.02	8.30	-36.06
COC1=NC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200933	0	42	-1.0	-47.53	327.91	3.13	-44.40
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C1CC2CCC1C2	REAL300008200934	0	44	-1.0	-47.82	347.50	6.02	-41.80
CC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)N1C	REAL300008200935	0	42	-1.0	-50.88	337.98	4.71	-46.17
CC1=CSC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200936	0	42	-1.0	-53.89	339.94	6.25	-47.64
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C1CC2CCC1C2	REAL300008200937	0	46	-1.0	-56.09	366.70	5.34	-50.75
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1CCC1)C1CC2CCC1C2	REAL300008200938	0	46	-1.0	-45.48	361.98	5.59	-39.89
O=C([O-])C(NS(=O)(=O)C1=CC=NN1CC1CCC1)C1CC2CCC1C2	REAL300008200939	0	49	-1.0	-44.74	384.67	6.33	-38.41
CC1(C)COC2=C(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=NN2C1	REAL300008200940	0	50	-1.0	-46.73	378.41	3.77	-42.96
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C1CC2CCC1C2	REAL300008200941	0	45	-1.0	-46.76	381.39	6.61	-40.15
O=C([O-])C(NS(=O)(=O)C1=CN=C2CCCCN12)C1CC2CCC1C2	REAL300008200942	0	46	-1.0	-56.21	355.23	5.49	-50.72
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1C	REAL300008200943	0	55	-1.0	-46.22	416.10	7.77	-38.45
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200944	0	49	-1.0	-61.29	389.73	7.27	-54.02
CC1CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)=C2O1	REAL300008200945	0	47	-1.0	-48.58	359.73	6.72	-41.86
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300008200946	0	47	-1.0	-46.44	387.27	5.42	-41.02
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200947	0	44	-1.0	-66.44	358.42	5.23	-61.21
CCN1N=NC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200948	0	41	-1.0	-45.69	331.79	3.13	-42.56
O=C([O-])C(NS(=O)(=O)C1=CC2=NON=C2C=C1)C1CC2CCC1C2	REAL300008200949	0	40	-1.0	-47.84	330.75	4.43	-43.41
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C1CC2CCC1C2	REAL300008200950	0	42	-1.0	-48.97	356.70	7.24	-41.73
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200951	0	46	-1.0	-49.73	366.09	5.44	-44.29
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C)=C1F	REAL300008200952	0	48	-1.0	-52.16	368.98	7.97	-44.19
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1OC	REAL300008200953	0	47	-1.0	-51.24	374.71	5.56	-45.68
O=C([O-])C(NS(=O)(=O)C1=COC2=CC=CC=C21)C1CC2CCC1C2	REAL300008200954	0	42	-1.0	-46.84	333.80	5.54	-41.30
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C2CCCC2)=N1	REAL300008200955	0	52	-1.0	-48.80	403.54	6.66	-42.14
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200956	0	51	-1.0	-57.70	394.65	6.17	-51.53
CCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C)=N1	REAL300008200957	0	51	-1.0	-48.45	406.44	6.45	-42.00
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C2CC2)=N1	REAL300008200958	0	46	-1.0	-55.87	371.69	5.50	-50.37
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C1CC2CCC1C2	REAL300008200959	0	43	-1.0	-57.30	355.16	5.23	-52.07
CN1N=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=CC=C21	REAL300008200960	0	44	-1.0	-58.77	350.53	4.32	-54.45
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C2CCC2)=N1	REAL300008200961	0	49	-1.0	-48.38	388.93	6.12	-42.26
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200962	0	57	-1.0	-45.94	426.76	9.62	-36.32
O=C([O-])C(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C1CC2CCC1C2	REAL300008200963	0	49	-1.0	-53.73	392.53	6.32	-47.41
O=C([O-])C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C1CC2CCC1C2	REAL300008200964	0	43	-1.0	-58.74	354.99	6.98	-51.76
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C2=NC=CC=C2C=C1	REAL300008200965	0	48	-1.0	-71.57	381.04	7.01	-64.56
CCCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200966	0	48	-1.0	-56.51	381.84	7.97	-48.54
CN1N=C2CCCC2=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200967	0	46	-1.0	-48.43	363.25	5.32	-43.11
CC1=CC=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200968	0	45	-1.0	-57.23	344.80	7.27	-49.96
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200969	0	48	-1.0	-45.01	360.80	5.37	-39.64
CC(C)(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=N1	REAL300008200970	0	48	-1.0	-54.35	383.04	5.40	-48.95
O=C([O-])C(NS(=O)(=O)C1=CNN=C1C1CCC1)C1CC2CCC1C2	REAL300008200971	0	46	-1.0	-45.93	366.17	4.81	-41.12
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CN=C1C(F)(F)F	REAL300008200972	0	44	-1.0	-41.41	367.58	5.56	-35.85
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1CC2CCC1C2	REAL300008200973	0	42	-1.0	-50.61	361.45	6.74	-43.87
CC1=NN(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200974	0	42	-1.0	-46.91	340.77	3.96	-42.95
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1C	REAL300008200975	0	45	-1.0	-43.02	342.46	6.98	-36.04
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200976	0	50	-1.0	-61.31	402.97	7.81	-53.50
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C1CC2CCC1C2	REAL300008200977	0	50	-1.0	-58.20	382.63	8.66	-49.54
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1CC2CCC1C2	REAL300008200978	0	45	-1.0	-54.49	378.40	6.63	-47.86
O=C([O-])C(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C1CC2CCC1C2	REAL300008200979	0	39	-1.0	-41.65	330.70	5.99	-35.66
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C1CC2CCC1C2	REAL300008200980	0	46	-1.0	-58.40	367.59	7.86	-50.54
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=CS1	REAL300008200981	0	40	-1.0	-43.18	326.42	4.62	-38.56
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1CCCC1)C1CC2CCC1C2	REAL300008200982	0	49	-1.0	-45.76	378.26	6.27	-39.49
CCC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200983	0	48	-1.0	-43.68	368.42	5.43	-38.25
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)O1	REAL300008200984	0	42	-1.0	-47.87	343.95	5.41	-42.46
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C2CCOCC2)=N1	REAL300008200985	0	53	-1.0	-47.35	411.82	4.79	-42.56
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200986	0	45	-1.0	-54.02	370.66	7.29	-46.73
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C1CC2CCC1C2	REAL300008200987	0	43	-1.0	-55.50	357.64	5.35	-50.15
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300008200988	0	40	-1.0	-42.82	338.25	4.12	-38.70
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C2=NC=CC=C12	REAL300008200989	0	50	-1.0	-54.03	385.32	8.01	-46.02
O=C([O-])C(NS(=O)(=O)C1=CN(CCF)N=C1)C1CC2CCC1C2	REAL300008200990	0	42	-1.0	-52.59	349.39	4.37	-48.22
CCOCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200991	0	49	-1.0	-57.91	395.32	6.46	-51.45
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200992	0	49	-1.0	-47.86	394.14	6.82	-41.04
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C1CC2CCC1C2	REAL300008200993	0	52	-1.0	-56.49	405.01	6.61	-49.88
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1CF)C1CC2CCC1C2	REAL300008200994	0	42	-1.0	-43.21	335.62	6.77	-36.44
CC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300008200995	0	41	-1.0	-53.53	333.93	4.62	-48.91
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C2=CC=CC=C12	REAL300008200996	0	48	-1.0	-50.99	377.09	8.61	-42.38
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(C2=CC=CC=C2)=N1	REAL300008200997	0	49	-1.0	-51.40	388.50	7.15	-44.25
O=C([O-])C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C1CC2CCC1C2	REAL300008200998	0	43	-1.0	-55.35	356.98	7.05	-48.30
CCOCCCS(=O)(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300008200999	0	45	-1.0	-59.54	358.23	4.27	-55.27
O=C([O-])C(NS(=O)(=O)CCC1NC(=O)NC1=O)C1CC2CCC1C2	REAL300008201000	0	44	-1.0	-64.56	358.13	-0.43	-64.99
CN(CCOC1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008208213	0	36	-1.0	-53.86	318.49	2.69	-51.17
CN(CCOC1CC1)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300008208214	0	42	-1.0	-51.25	360.69	7.08	-44.17
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CCOC2CC2)S1	REAL300008208215	0	36	-1.0	-54.14	327.79	5.48	-48.66
CN(CCOC1CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300008208216	0	42	-1.0	-79.27	354.46	8.97	-70.30
CN(CCOC1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300008208217	0	39	-1.0	-41.77	337.15	5.98	-35.79
CN(CCOC1CC1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008208218	0	39	-1.0	-60.97	328.87	5.87	-55.10
CN(CCOC1CC1)S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300008208219	0	36	-1.0	-47.45	344.91	5.42	-42.03
CN(CCOC1CC1)S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008208220	0	39	-1.0	-69.04	340.49	3.40	-65.64
CN(CCOC1CC1)S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008208221	0	39	-1.0	-45.39	345.73	6.00	-39.39
CN(CCOC1CC1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008208222	0	41	-1.0	-50.73	323.74	4.83	-45.90
CN(CCOC1CC1)S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008208223	0	33	-1.0	-52.16	318.45	5.17	-46.99
CC1=CC(S(=O)(=O)N(C)CCOC2CC2)=CN=C1C(=O)[O-]	REAL300008208224	0	38	-1.0	-50.50	327.56	3.53	-46.97
CN(CCOC1CC1)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008208225	0	39	-1.0	-60.97	328.87	5.87	-55.10
CCOC1=CC=C(S(=O)(=O)N(C)CCOC2CC2)C=C1C(=O)[O-]	REAL300008208226	0	43	-1.0	-62.80	365.63	6.72	-56.08
CN(CCOC1CC1)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008208227	0	43	-1.0	-49.70	362.54	6.81	-42.89
CN(CCOC1CC1)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008208228	0	35	-1.0	-66.12	302.90	4.90	-61.22
CN(CCOC1CC1)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300008208229	0	41	-1.0	-55.11	361.18	5.19	-49.92
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1	REAL300008208230	0	38	-1.0	-48.87	314.79	3.04	-45.83
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208231	0	38	-1.0	-50.76	311.97	2.96	-47.80
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208232	0	41	-1.0	-57.50	321.79	3.43	-54.07
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208233	0	42	-1.0	-54.52	336.87	2.92	-51.60
CC1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1C(=O)[O-]	REAL300008208234	0	41	-1.0	-50.97	330.87	3.56	-47.41
O=C([O-])C1=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=CS1	REAL300008208235	0	35	-1.0	-58.76	287.70	2.30	-56.46
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208236	0	38	-1.0	-50.76	311.97	2.96	-47.80
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1	REAL300008208237	0	38	-1.0	-48.87	314.79	3.04	-45.83
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208238	0	38	-1.0	-64.07	293.83	3.65	-60.42
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=CN1	REAL300008208239	0	36	-1.0	-50.12	303.32	0.76	-49.36
O=C([O-])CN1C=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=N1	REAL300008208240	0	38	-1.0	-50.95	317.78	1.11	-49.84
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)S1	REAL300008208241	0	35	-1.0	-47.10	305.13	2.11	-44.99
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208242	0	35	-1.0	-51.51	283.64	-0.15	-51.66
O=C([O-])C1CCCN(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C1	REAL300008208243	0	43	-1.0	-47.63	329.10	2.02	-45.61
O=C([O-])C1CCN(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)CC1	REAL300008208244	0	43	-1.0	-46.36	332.28	2.15	-44.21
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208245	0	38	-1.0	-64.07	293.83	3.65	-60.42
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208246	0	38	-1.0	-58.11	323.51	4.62	-53.49
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)O1	REAL300008208247	0	35	-1.0	-48.54	297.54	1.36	-47.18
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)O1	REAL300008208248	0	38	-1.0	-50.91	317.39	1.90	-49.01
O=C([O-])C1CCCN1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208249	0	40	-1.0	-60.47	312.26	1.91	-58.56
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1	REAL300008208250	0	41	-1.0	-57.60	338.14	3.77	-53.83
O=C([O-])C1CCN(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)CC1	REAL300008208251	0	43	-1.0	-46.36	332.28	2.15	-44.21
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208252	0	41	-1.0	-58.78	338.31	3.77	-55.01
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)O1	REAL300008208253	0	35	-1.0	-48.54	297.54	1.36	-47.18
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1	REAL300008208254	0	42	-1.0	-48.64	345.98	3.36	-45.28
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208255	0	42	-1.0	-48.98	350.80	4.29	-44.69
O=C([O-])C1=CSC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208256	0	35	-1.0	-51.19	306.16	2.02	-49.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1C	REAL300008208257	0	44	-1.0	-49.94	348.79	4.48	-45.46
CC1=CC=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1C(=O)[O-]	REAL300008208258	0	41	-1.0	-51.41	322.03	3.85	-47.56
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208259	0	45	-1.0	-56.24	367.10	2.67	-53.57
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=CS1	REAL300008208260	0	35	-1.0	-50.17	306.45	2.07	-48.10
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208261	0	41	-1.0	-53.82	328.20	4.55	-49.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208262	0	41	-1.0	-48.26	317.58	3.33	-44.93
O=C([O-])C1=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C2=CC=CC=C2S1	REAL300008208263	0	41	-1.0	-57.61	340.86	5.26	-52.35
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1	REAL300008208264	0	41	-1.0	-49.16	337.08	3.85	-45.31
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1[N+](=O)[O-]	REAL300008208265	0	43	-1.0	-41.48	350.24	3.98	-37.50
O=C([O-])C1=COC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208266	0	35	-1.0	-48.61	299.81	1.14	-47.47
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208267	0	41	-1.0	-50.56	334.18	3.73	-46.83
CC1=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C(C(=O)[O-])O1	REAL300008208268	0	38	-1.0	-52.65	310.47	1.92	-50.73
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208269	0	37	-1.0	-47.60	310.01	1.22	-46.38
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208270	0	34	-1.0	-61.49	282.99	0.71	-60.78
O=C([O-])C1=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)SC=N1	REAL300008208271	0	34	-1.0	-53.36	291.84	0.53	-52.83
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208272	0	37	-1.0	-68.93	303.79	2.46	-66.47
O=C([O-])CCCCCS(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208273	0	43	-1.0	-52.61	341.66	3.18	-49.43
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=N1	REAL300008208274	0	37	-1.0	-51.21	310.68	1.25	-49.96
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208275	0	38	-1.0	-45.85	328.74	3.45	-42.40
COC1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1C(=O)[O-]	REAL300008208276	0	42	-1.0	-57.16	342.09	3.10	-54.06
CC1=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=CC=C1C(=O)[O-]	REAL300008208277	0	41	-1.0	-49.99	334.87	3.67	-46.32
CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208278	0	39	-1.0	-47.44	309.76	1.02	-46.42
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CCO[C@H]4COC[C@H]4C3)C=CC=C12	REAL300008208279	0	43	-1.0	-56.16	348.76	3.63	-52.53
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208280	0	45	-1.0	-56.24	367.10	2.67	-53.57
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208281	0	38	-1.0	-45.85	328.74	3.45	-42.40
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208282	0	38	-1.0	-46.07	310.42	3.36	-42.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208283	0	41	-1.0	-45.24	327.63	3.77	-41.47
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCO[C@H]4COC[C@H]4C3)C=C21	REAL300008208284	0	44	-1.0	-50.84	358.94	4.30	-46.54
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1	REAL300008208285	0	41	-1.0	-57.60	338.14	3.77	-53.83
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208286	0	42	-1.0	-54.52	336.87	2.92	-51.60
CC1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1C(=O)[O-]	REAL300008208287	0	41	-1.0	-50.97	330.87	3.56	-47.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208288	0	41	-1.0	-57.50	321.79	3.43	-54.07
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208289	0	42	-1.0	-44.18	345.69	3.54	-40.64
O=C([O-])CC1(CS(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)CC1	REAL300008208290	0	41	-1.0	-49.90	325.44	2.87	-47.03
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208291	0	41	-1.0	-50.56	334.18	3.73	-46.83
COC1=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)SC(C(=O)[O-])=C1	REAL300008208292	0	39	-1.0	-47.92	330.56	1.76	-46.16
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCO[C@H]4COC[C@H]4C3)=CC=C2O1	REAL300008208293	0	43	-1.0	-50.23	351.64	3.70	-46.53
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1C(F)(F)F	REAL300008208294	0	41	-1.0	-47.75	344.93	3.83	-43.92
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCO[C@H]4COC[C@H]4C3)C=C2)CC1	REAL300008208295	0	45	-1.0	-52.45	361.02	4.95	-47.50
CCC1=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C(C(=O)[O-])O1	REAL300008208296	0	41	-1.0	-53.79	332.42	2.65	-51.14
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208297	0	40	-1.0	-55.94	321.77	4.34	-51.60
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CCO[C@H]4COC[C@H]4C3)=CC=C2S1	REAL300008208298	0	41	-1.0	-52.27	350.06	4.45	-47.82
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208299	0	40	-1.0	-51.10	334.97	4.78	-46.32
CC1=NC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1C(=O)[O-]	REAL300008208300	0	40	-1.0	-48.41	323.47	1.66	-46.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208301	0	42	-1.0	-48.64	336.78	2.93	-45.71
COC1=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=CC=C1C(=O)[O-]	REAL300008208302	0	42	-1.0	-54.21	342.11	3.12	-51.09
COC1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C(CC(=O)[O-])=C1	REAL300008208303	0	45	-1.0	-59.87	344.80	3.31	-56.56
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1F	REAL300008208304	0	41	-1.0	-51.47	342.43	3.84	-47.63
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208305	0	41	-1.0	-44.73	350.74	3.94	-40.79
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1	REAL300008208306	0	47	-1.0	-49.66	368.07	4.70	-44.96
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208307	0	38	-1.0	-48.13	299.15	1.11	-47.02
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCO[C@H]4COC[C@H]4C3)C=CC=C12	REAL300008208308	0	44	-1.0	-53.88	351.60	5.44	-48.44
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208309	0	38	-1.0	-49.47	315.85	1.95	-47.52
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=CC=C1Cl	REAL300008208310	0	38	-1.0	-49.55	327.31	3.43	-46.12
O=C([O-])C1=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)OC=C1	REAL300008208311	0	35	-1.0	-53.74	284.46	1.64	-52.10
O=C([O-])C1(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)CCC1	REAL300008208312	0	38	-1.0	-42.16	292.20	2.01	-40.15
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208313	0	42	-1.0	-61.28	322.99	2.97	-58.31
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208314	0	35	-1.0	-51.51	283.64	-0.15	-51.66
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208315	0	38	-1.0	-48.13	299.15	1.11	-47.02
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208317	0	45	-1.0	-55.01	354.05	2.67	-52.34
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208318	0	37	-1.0	-49.49	308.13	1.07	-48.42
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208319	0	41	-1.0	-52.76	326.73	4.15	-48.61
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208320	0	35	-1.0	-47.05	312.45	1.65	-45.40
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C2=CC=CC=C12	REAL300008208321	0	44	-1.0	-51.87	351.28	5.45	-46.42
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208322	0	45	-1.0	-54.00	358.48	3.82	-50.18
COC1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C(C(=O)[O-])=C1	REAL300008208323	0	42	-1.0	-64.55	323.01	2.96	-61.59
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=CC=N1	REAL300008208324	0	37	-1.0	-55.86	310.91	1.26	-54.60
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=NN1	REAL300008208325	0	35	-1.0	-43.76	298.29	-0.71	-44.47
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208326	0	38	-1.0	-55.44	313.68	0.67	-54.77
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CCO[C@H]4COC[C@H]4C3)C=C2C=C1	REAL300008208327	0	44	-1.0	-52.31	360.70	5.31	-47.00
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C1	REAL300008208328	0	38	-1.0	-50.62	301.55	2.07	-48.55
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C1	REAL300008208329	0	41	-1.0	-53.85	320.16	2.72	-51.13
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)S1	REAL300008208330	0	38	-1.0	-48.65	325.15	2.69	-45.96
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208331	0	44	-1.0	-70.03	352.35	6.44	-63.59
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C1	REAL300008208332	0	41	-1.0	-42.49	342.49	4.45	-38.04
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208333	0	41	-1.0	-59.11	315.16	4.01	-55.10
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1CCO[C@H]3COC[C@H]3C1)=C2	REAL300008208334	0	38	-1.0	-48.37	344.79	3.59	-44.78
O=C([O-])C1=NC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=C2C=CC=CN12	REAL300008208335	0	41	-1.0	-64.85	336.58	1.51	-63.34
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCO[C@H]4COC[C@H]4C3)=C2C=C1	REAL300008208336	0	41	-1.0	-44.76	340.96	4.35	-40.41
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208337	0	38	-1.0	-54.43	311.17	2.31	-52.12
O=C([O-])C1CCCCN1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208338	0	43	-1.0	-54.29	316.94	2.91	-51.38
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=NN1	REAL300008208339	0	35	-1.0	-43.76	298.29	-0.71	-44.47
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208340	0	40	-1.0	-46.00	311.57	1.46	-44.54
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208341	0	35	-1.0	-51.51	283.64	-0.15	-51.66
O=C([O-])C1=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C(Cl)S1	REAL300008208342	0	35	-1.0	-54.12	317.35	3.35	-50.77
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208343	0	38	-1.0	-58.79	296.36	2.90	-55.89
CC1=CC(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)=CN=C1C(=O)[O-]	REAL300008208344	0	40	-1.0	-51.66	327.40	1.79	-49.87
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208345	0	41	-1.0	-59.11	315.16	4.01	-55.10
CCOC1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1C(=O)[O-]	REAL300008208346	0	45	-1.0	-57.55	363.94	4.01	-53.54
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCO[C@H]4COC[C@H]4C3)C=C2C1	REAL300008208347	0	45	-1.0	-51.80	357.47	4.84	-46.96
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCO[C@H]2COC[C@H]2C1	REAL300008208348	0	37	-1.0	-56.14	289.20	1.79	-54.35
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCO[C@H]4COC[C@H]4C3)C=C2C=C1	REAL300008208349	0	43	-1.0	-55.35	356.55	3.42	-51.93
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)C=C1	REAL300008208350	0	46	-1.0	-50.55	386.89	8.67	-41.88
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)=C1	REAL300008208351	0	46	-1.0	-56.21	386.80	8.66	-47.55
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)=C1	REAL300008208352	0	46	-1.0	-56.21	386.80	8.66	-47.55
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)C=C1	REAL300008208353	0	46	-1.0	-50.55	386.89	8.67	-41.88
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208354	0	46	-1.0	-67.34	377.45	9.65	-57.69
O=C([O-])C1=CC(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)=CN1	REAL300008208355	0	44	-1.0	-51.83	376.09	6.36	-45.47
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208356	0	43	-1.0	-55.58	360.79	5.61	-49.97
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208357	0	46	-1.0	-67.34	377.45	9.65	-57.69
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)O1	REAL300008208358	0	43	-1.0	-52.60	371.66	7.01	-45.59
O=C([O-])CCCS(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208359	0	45	-1.0	-53.38	372.91	7.29	-46.09
O=C([O-])C1CCCN1S(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208360	0	48	-1.0	-48.81	382.44	7.05	-41.76
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)O1	REAL300008208361	0	43	-1.0	-52.60	371.66	7.01	-45.59
O=C([O-])CCCS(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208362	0	45	-1.0	-53.38	372.91	7.29	-46.09
O=C([O-])C1=COC(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)=C1	REAL300008208363	0	43	-1.0	-50.50	371.90	6.77	-43.73
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)=C1	REAL300008208364	0	45	-1.0	-49.80	381.97	6.85	-42.95
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208365	0	45	-1.0	-70.70	376.07	8.07	-62.63
O=C([O-])CCCCCS(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208366	0	51	-1.0	-54.34	415.90	8.85	-45.49
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)C=N1	REAL300008208367	0	45	-1.0	-52.22	382.67	6.86	-45.36
CN(CCC(=O)[O-])S(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208368	0	47	-1.0	-51.60	386.30	6.85	-44.75
O=C([O-])CC1(CS(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)CC1	REAL300008208369	0	49	-1.0	-51.91	398.77	8.48	-43.43
O=C([O-])C1=C(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)OC=C1	REAL300008208370	0	43	-1.0	-62.51	368.19	7.08	-55.43
O=C([O-])C1(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)CCC1	REAL300008208371	0	46	-1.0	-45.02	364.86	7.46	-37.56
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208372	0	43	-1.0	-55.58	360.79	5.61	-49.97
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)=C1	REAL300008208373	0	45	-1.0	-49.09	383.12	6.78	-42.31
O=C([O-])C1=CC(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)=CC=N1	REAL300008208374	0	45	-1.0	-55.15	382.86	6.87	-48.28
O=C([O-])C1=CC(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)=NN1	REAL300008208375	0	43	-1.0	-46.31	371.03	4.88	-41.43
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)C1	REAL300008208376	0	46	-1.0	-55.29	376.58	7.74	-47.55
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)C1	REAL300008208377	0	49	-1.0	-54.57	386.50	8.07	-46.50
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208378	0	46	-1.0	-55.23	383.56	8.00	-47.23
O=C([O-])C1=CC(S(=O)(=O)N2CCOC(C3=CC=CC4=CC=CC=C43)C2)=NN1	REAL300008208379	0	43	-1.0	-46.31	371.03	4.88	-41.43
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208380	0	48	-1.0	-59.19	387.00	7.74	-51.45
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208381	0	43	-1.0	-55.58	360.79	5.61	-49.97
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208382	0	46	-1.0	-59.85	367.08	8.38	-51.47
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCOC(C2=CC=CC3=CC=CC=C32)C1	REAL300008208383	0	45	-1.0	-60.27	374.88	8.00	-52.27
CC(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208384	0	37	-1.0	-56.29	333.42	2.81	-53.48
CCC(C)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208385	0	44	-1.0	-47.36	369.32	4.92	-42.44
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(Cl)S1	REAL300008208386	0	29	-1.0	-45.51	299.61	1.95	-43.56
COC1=CC=C(C)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208387	0	39	-1.0	-49.83	332.57	2.82	-47.01
CC1=CC=C(Br)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208388	0	35	-1.0	-46.05	326.64	3.85	-42.20
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008208389	0	36	-1.0	-47.71	327.70	2.65	-45.06
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208390	0	38	-1.0	-55.90	351.33	-0.15	-56.05
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008208391	0	36	-1.0	-47.93	336.64	2.12	-45.81
COC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1OC	REAL300008208392	0	43	-1.0	-48.92	364.09	2.45	-46.47
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208393	0	35	-1.0	-45.69	322.05	3.72	-41.97
CN(C1CCCCC1)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208394	0	43	-1.0	-46.79	347.76	2.78	-44.01
CC1=NN(C)C(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208395	0	38	-1.0	-49.31	327.33	1.36	-47.95
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008208396	0	48	-1.0	-47.15	392.49	6.14	-41.01
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008208397	0	38	-1.0	-49.57	335.13	1.48	-48.09
CCC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208398	0	38	-1.0	-47.68	333.53	3.77	-43.91
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1Br	REAL300008208399	0	32	-1.0	-48.93	307.08	3.07	-45.86
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(Br)=C1	REAL300008208400	0	32	-1.0	-48.10	311.95	2.94	-45.16
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208401	0	37	-1.0	-56.57	324.31	4.67	-51.90
O=C([O-])CCOCCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008208402	0	38	-1.0	-49.92	352.62	4.33	-45.59
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208403	0	42	-1.0	-57.99	373.68	-1.13	-59.12
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208404	0	43	-1.0	-51.30	373.09	4.16	-47.14
CC1=CC(F)=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208405	0	35	-1.0	-46.81	318.46	3.06	-43.75
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008208406	0	38	-1.0	-49.99	336.34	2.84	-47.15
COCC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208407	0	39	-1.0	-48.75	345.71	2.06	-46.69
CCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300008208408	0	38	-1.0	-48.40	339.67	-0.05	-48.45
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208409	0	41	-1.0	-59.62	375.67	0.53	-59.09
CS(=O)(=O)CCCS(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208410	0	37	-1.0	-61.27	339.61	-1.65	-62.92
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1C	REAL300008208411	0	42	-1.0	-47.93	351.04	3.14	-44.79
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008208412	0	37	-1.0	-49.06	341.76	2.82	-46.24
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008208413	0	35	-1.0	-49.47	335.69	3.66	-45.81
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008208414	0	37	-1.0	-50.25	331.61	2.72	-47.53
CS(=O)(=O)N1CCN(S(=O)(=O)NCCOCCC(=O)[O-])CC1	REAL300008208415	0	42	-1.0	-55.95	361.34	-2.10	-58.05
CN(C1CCOCC1)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208416	0	41	-1.0	-46.93	338.49	0.39	-46.54
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300008208417	0	41	-1.0	-51.68	363.95	3.67	-48.01
CCN1N=C(C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1C	REAL300008208418	0	41	-1.0	-50.77	350.06	2.27	-48.50
CC(C)N1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300008208419	0	38	-1.0	-50.68	335.41	1.41	-49.27
CC(C)CN1C=NC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208420	0	41	-1.0	-51.35	355.18	3.57	-47.78
CC(C)N1C=NC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208421	0	38	-1.0	-54.03	336.08	2.70	-51.33
CC(C)C1=NC(S(=O)(=O)NCCOCCC(=O)[O-])=CN1	REAL300008208422	0	38	-1.0	-51.28	332.41	0.92	-50.36
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208423	0	44	-1.0	-47.50	342.63	4.83	-42.67
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208424	0	40	-1.0	-55.62	357.11	1.74	-53.88
COC1=CC(Cl)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1OC	REAL300008208425	0	40	-1.0	-48.19	350.97	1.59	-46.60
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Br	REAL300008208426	0	35	-1.0	-46.81	330.14	3.52	-43.29
CC1=C(F)C=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208427	0	35	-1.0	-47.71	311.39	3.15	-44.56
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008208428	0	38	-1.0	-47.55	346.06	5.11	-42.44
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008208429	0	37	-1.0	-49.46	343.76	4.56	-44.90
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008208430	0	36	-1.0	-50.04	336.11	1.97	-48.07
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008208431	0	39	-1.0	-50.66	347.90	4.01	-46.65
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208432	0	47	-1.0	-48.43	388.98	3.78	-44.65
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008208433	0	35	-1.0	-48.65	322.82	3.20	-45.45
COCC1=CC=C(OC)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208434	0	43	-1.0	-51.37	366.23	1.88	-49.49
COC1=CC=C(F)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208437	0	36	-1.0	-49.76	317.56	2.22	-47.54
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208438	0	43	-1.0	-50.69	369.99	2.49	-48.20
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C	REAL300008208439	0	43	-1.0	-53.06	382.51	-0.71	-53.77
O=C([O-])CCOCCNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008208440	0	50	-1.0	-46.25	377.78	4.01	-42.24
CC1=NC2=C(S(=O)(=O)NCCOCCC(=O)[O-])C=CC=C2C=C1	REAL300008208441	0	40	-1.0	-53.20	343.86	4.01	-49.19
O=C([O-])CCOCCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008208442	0	40	-1.0	-53.69	355.56	4.21	-49.48
O=C([O-])CCOCCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008208443	0	43	-1.0	-49.46	367.79	0.87	-48.59
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208444	0	46	-1.0	-50.62	404.90	3.47	-47.15
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208445	0	46	-1.0	-50.24	397.56	3.46	-46.78
CCCN1C=NC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208446	0	38	-1.0	-51.35	337.96	3.07	-48.28
COCCOCCOCCS(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208447	0	46	-1.0	-52.47	399.11	-0.37	-52.84
CC(COC1CCCC1)CS(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208448	0	48	-1.0	-49.02	391.45	3.68	-45.34
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208449	0	39	-1.0	-47.88	358.87	2.63	-45.25
O=C([O-])CCOCCNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008208450	0	40	-1.0	-50.23	348.68	0.07	-50.16
COC1=CC(Br)=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208451	0	36	-1.0	-47.52	341.43	2.25	-45.27
O=C([O-])CCOCCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008208452	0	36	-1.0	-49.41	327.31	2.49	-46.92
COC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008208453	0	38	-1.0	-50.55	346.16	3.07	-47.48
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208454	0	38	-1.0	-45.88	344.06	4.21	-41.67
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208455	0	38	-1.0	-46.42	344.41	4.24	-42.18
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300008208456	0	38	-1.0	-46.75	345.07	3.84	-42.91
CC(C)C1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208457	0	41	-1.0	-47.32	344.58	4.43	-42.89
O=C([O-])CCOCCNS(=O)(=O)CCCN1CCOCC1	REAL300008208458	0	44	-1.0	-50.26	364.32	-0.71	-50.97
CCOC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208459	0	39	-1.0	-50.08	342.01	2.55	-47.53
COCCN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300008208460	0	39	-1.0	-50.84	350.39	-0.07	-50.91
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008208461	0	39	-1.0	-51.80	355.01	2.87	-48.93
O=C([O-])CCOCCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008208462	0	40	-1.0	-53.69	364.11	4.49	-49.20
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008208463	0	37	-1.0	-49.91	331.84	2.70	-47.21
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008208464	0	35	-1.0	-49.67	335.69	3.65	-46.02
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300008208465	0	35	-1.0	-50.33	331.18	3.60	-46.73
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008208466	0	39	-1.0	-62.75	355.26	0.19	-62.56
CC1=CC(Br)=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208467	0	35	-1.0	-46.39	333.35	3.61	-42.78
CC1=C(Br)C=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208468	0	35	-1.0	-46.99	324.10	3.62	-43.37
COCC1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208469	0	39	-1.0	-47.43	336.96	2.46	-44.97
COC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1Br	REAL300008208470	0	36	-1.0	-47.51	340.57	2.30	-45.21
COC1=CC(OC)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Cl	REAL300008208471	0	40	-1.0	-50.40	356.71	2.04	-48.36
O=C([O-])CCOCCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008208472	0	35	-1.0	-54.50	334.59	1.39	-53.11
O=C([O-])CCOCCNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008208473	0	35	-1.0	-53.88	328.56	1.21	-52.67
CC1(C)CC2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C2O1	REAL300008208474	0	43	-1.0	-48.81	368.10	3.58	-45.23
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008208475	0	35	-1.0	-49.19	324.63	1.32	-47.87
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208476	0	43	-1.0	-52.60	356.66	0.33	-52.27
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208477	0	44	-1.0	-54.58	394.30	1.54	-53.04
CSC1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208478	0	36	-1.0	-49.37	314.97	2.50	-46.87
CCC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208479	0	38	-1.0	-47.93	333.53	3.76	-44.17
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1F	REAL300008208480	0	40	-1.0	-52.60	369.60	-0.90	-53.50
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208481	0	46	-1.0	-52.53	409.77	0.12	-52.41
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208482	0	43	-1.0	-57.08	370.55	2.33	-54.75
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1F	REAL300008208483	0	43	-1.0	-51.70	391.06	0.00	-51.70
CCC1=CC=C(CS(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208484	0	41	-1.0	-49.86	357.28	4.47	-45.39
O=C([O-])CCOCCNS(=O)(=O)CCC1=CC=CS1	REAL300008208485	0	35	-1.0	-48.62	326.12	2.91	-45.71
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008208486	0	47	-1.0	-49.81	404.39	2.77	-47.04
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008208487	0	44	-1.0	-53.55	357.60	1.25	-52.30
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208488	0	41	-1.0	-54.31	372.81	0.75	-53.56
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208489	0	42	-1.0	-56.76	371.85	-0.32	-57.08
CC1=CC=C(CS(=O)(=O)NCCOCCC(=O)[O-])C=C1C	REAL300008208490	0	41	-1.0	-50.37	352.81	4.24	-46.13
CCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Br	REAL300008208491	0	39	-1.0	-49.39	362.40	3.22	-46.17
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300008208492	0	46	-1.0	-49.17	398.82	5.39	-43.78
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008208493	0	36	-1.0	-49.06	337.63	2.94	-46.12
COC1=CC=C(Br)C(CS(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208494	0	39	-1.0	-50.26	360.58	2.89	-47.37
CC1(C)CN(S(=O)(=O)NCCOCCC(=O)[O-])CCO1	REAL300008208495	0	41	-1.0	-46.62	336.82	0.53	-46.09
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C2S1	REAL300008208496	0	46	-1.0	-49.22	403.64	4.28	-44.94
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208497	0	39	-1.0	-49.36	350.61	3.34	-46.02
CC(C)N1N=CC2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C21	REAL300008208498	0	44	-1.0	-50.47	381.36	3.86	-46.61
CCS(=O)(=O)NCCS(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208499	0	39	-1.0	-57.53	354.48	-2.93	-60.46
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300008208500	0	38	-1.0	-47.82	344.40	3.60	-44.22
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008208501	0	35	-1.0	-46.98	346.27	4.26	-42.72
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008208502	0	38	-1.0	-48.99	354.48	5.08	-43.91
O=C([O-])CCOCCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300008208503	0	35	-1.0	-47.38	333.39	3.73	-43.65
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008208504	0	38	-1.0	-52.14	348.31	5.19	-46.95
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008208505	0	38	-1.0	-49.29	351.65	4.12	-45.17
O=C([O-])CCOCCNS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008208506	0	43	-1.0	-51.48	371.79	3.66	-47.82
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008208507	0	46	-1.0	-48.44	397.52	5.71	-42.73
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208508	0	45	-1.0	-54.76	398.05	3.90	-50.86
O=C([O-])CCOCCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008208509	0	43	-1.0	-56.25	390.65	-0.61	-56.86
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008208510	0	41	-1.0	-47.51	361.70	5.31	-42.20
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1N(C)C	REAL300008208511	0	43	-1.0	-48.08	365.24	2.98	-45.10
O=C([O-])CCOCCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300008208512	0	38	-1.0	-48.76	352.08	4.26	-44.50
O=C([O-])CCOCCNS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008208513	0	37	-1.0	-51.99	323.49	-0.73	-52.72
O=C([O-])CCOCCNS(=O)(=O)CCOCC1CCCC1	REAL300008208514	0	45	-1.0	-48.22	375.38	2.78	-45.44
COC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Cl	REAL300008208515	0	39	-1.0	-46.94	351.72	2.96	-43.98
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208516	0	41	-1.0	-59.60	375.08	0.54	-59.06
CSC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Cl	REAL300008208517	0	36	-1.0	-49.27	345.85	3.80	-45.47
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208518	0	44	-1.0	-50.15	364.46	2.80	-47.35
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008208519	0	40	-1.0	-50.69	361.79	0.88	-49.81
CCC1=NOC2=NC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C12	REAL300008208520	0	39	-1.0	-50.62	351.87	0.04	-50.58
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008208521	0	43	-1.0	-51.82	387.15	2.15	-49.67
CN1N=CC2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CN=C21	REAL300008208522	0	37	-1.0	-51.63	334.98	1.46	-50.17
CCC1=CC(CC)=C(S(=O)(=O)NCCOCCC(=O)[O-])C(CC)=C1	REAL300008208523	0	50	-1.0	-45.88	390.48	7.09	-38.79
O=C([O-])CCOCCNS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008208524	0	39	-1.0	-52.33	336.42	2.36	-49.97
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008208525	0	38	-1.0	-48.24	359.25	0.42	-47.82
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008208526	0	41	-1.0	-53.91	357.12	6.10	-47.81
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1F	REAL300008208527	0	39	-1.0	-49.67	339.81	2.56	-47.11
CC1(CS(=O)(=O)NCCOCCC(=O)[O-])CCCCC1	REAL300008208528	0	44	-1.0	-47.75	340.47	3.83	-43.92
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008208529	0	41	-1.0	-48.75	352.68	3.75	-45.00
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008208531	0	40	-1.0	-49.92	360.08	3.59	-46.33
COCC1=CC(Cl)=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208532	0	39	-1.0	-47.49	362.43	2.56	-44.93
CC1=CC=C(CS(=O)(=O)NCCOCCC(=O)[O-])C(F)=C1	REAL300008208533	0	38	-1.0	-52.01	341.12	3.74	-48.27
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008208535	0	32	-1.0	-45.78	323.21	2.52	-43.26
O=C([O-])CCOCCNS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008208536	0	45	-1.0	-50.47	379.38	5.61	-44.86
CC(C)(C)C1=CC(CS(=O)(=O)NCCOCCC(=O)[O-])=NO1	REAL300008208537	0	43	-1.0	-53.01	372.52	3.04	-49.97
O=C([O-])CCOCCNS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008208538	0	41	-1.0	-57.02	351.77	-0.50	-57.52
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008208539	0	35	-1.0	-48.16	326.81	2.78	-45.38
CC1=C(CCS(=O)(=O)NCCOCCC(=O)[O-])SC=N1	REAL300008208540	0	37	-1.0	-50.37	339.42	1.55	-48.82
O=C([O-])CCOCCNS(=O)(=O)CC12CCC(CC1)C2	REAL300008208541	0	42	-1.0	-48.10	335.31	3.77	-44.33
O=C([O-])CCOCCNS(=O)(=O)CC1CC(F)(F)C1	REAL300008208542	0	35	-1.0	-50.53	315.92	2.28	-48.25
COC1=CC=C2C=C(S(=O)(=O)NCCOCCC(=O)[O-])CCC2=C1	REAL300008208543	0	44	-1.0	-49.25	374.56	4.03	-45.22
O=C([O-])CCOCCNS(=O)(=O)CC12CCC(CC1)CC2	REAL300008208544	0	45	-1.0	-47.97	348.06	4.34	-43.63
CC(C)(CCS(=O)(=O)NCCOCCC(=O)[O-])S(C)(=O)=O	REAL300008208545	0	43	-1.0	-59.56	363.87	-0.57	-60.13
O=C([O-])CCOCCNS(=O)(=O)CC1CCCCC1(F)F	REAL300008208546	0	41	-1.0	-48.38	343.68	3.47	-44.91
O=C([O-])CCOCCNS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008208547	0	39	-1.0	-49.23	341.33	4.44	-44.79
CCC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008208548	0	40	-1.0	-52.99	353.09	4.15	-48.84
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008208549	0	32	-1.0	-46.66	307.35	2.85	-43.81
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008208550	0	32	-1.0	-46.58	311.92	2.95	-43.63
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008208551	0	34	-1.0	-48.54	318.86	3.00	-45.54
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008208552	0	38	-1.0	-49.10	336.59	4.61	-44.49
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008208553	0	34	-1.0	-52.90	318.86	3.00	-49.90
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208554	0	37	-1.0	-48.60	333.57	3.90	-44.70
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208555	0	36	-1.0	-48.61	320.11	1.63	-46.98
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008208556	0	34	-1.0	-56.59	308.04	3.81	-52.78
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208557	0	39	-1.0	-48.64	354.31	3.70	-44.94
CCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208558	0	39	-1.0	-48.39	341.98	2.55	-45.84
CC1=CC(C)=C(C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1C	REAL300008208559	0	44	-1.0	-46.84	351.22	4.91	-41.93
CC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1	REAL300008208560	0	41	-1.0	-46.56	338.72	4.50	-42.06
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208561	0	47	-1.0	-46.79	381.59	5.54	-41.25
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008208562	0	35	-1.0	-49.07	329.71	3.34	-45.73
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008208563	0	35	-1.0	-50.93	315.55	3.90	-47.03
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008208564	0	32	-1.0	-48.23	307.38	2.84	-45.39
CC(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208565	0	37	-1.0	-50.12	331.12	2.72	-47.40
CC1=CC=C(C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208566	0	38	-1.0	-47.27	326.77	3.90	-43.37
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C	REAL300008208567	0	38	-1.0	-48.10	329.05	3.53	-44.57
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1	REAL300008208568	0	38	-1.0	-47.22	326.74	3.88	-43.34
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008208569	0	38	-1.0	-51.53	346.15	3.07	-48.46
CC(C)(C)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208570	0	44	-1.0	-47.36	366.84	4.65	-42.71
CC(C)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208571	0	41	-1.0	-47.42	350.87	4.26	-43.16
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208572	0	43	-1.0	-52.55	385.38	0.37	-52.18
CCCC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208573	0	41	-1.0	-47.53	355.03	4.55	-42.98
COC1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208574	0	36	-1.0	-49.82	311.20	2.16	-47.66
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Br	REAL300008208575	0	36	-1.0	-49.65	340.55	2.30	-47.35
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1Br	REAL300008208576	0	35	-1.0	-46.59	330.14	3.51	-43.08
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C2)=C1	REAL300008208577	0	46	-1.0	-48.86	400.73	5.85	-43.01
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008208578	0	36	-1.0	-46.44	336.61	2.12	-44.32
CC1=C(C)C(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1C	REAL300008208579	0	47	-1.0	-47.30	364.50	5.35	-41.95
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008208580	0	41	-1.0	-49.99	353.47	2.27	-47.72
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208581	0	48	-1.0	-49.57	387.27	4.46	-45.11
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008208582	0	37	-1.0	-52.93	334.86	3.52	-49.41
COC1=CC=C(Br)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208583	0	36	-1.0	-49.10	332.45	2.78	-46.32
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208584	0	50	-1.0	-46.48	392.96	6.14	-40.34
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008208585	0	35	-1.0	-46.90	329.39	3.32	-43.58
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008208586	0	42	-1.0	-47.78	353.35	4.82	-42.96
COC1=CC=C(OC)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208587	0	40	-1.0	-51.43	340.62	1.44	-49.99
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1OC	REAL300008208588	0	40	-1.0	-50.49	349.37	1.53	-48.96
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008208589	0	39	-1.0	-47.97	336.15	4.24	-43.73
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008208590	0	40	-1.0	-48.06	345.11	4.73	-43.33
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008208591	0	37	-1.0	-48.59	326.55	2.19	-46.40
CC(C)CCC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208592	0	47	-1.0	-47.36	394.10	5.84	-41.52
CCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1OCC	REAL300008208593	0	46	-1.0	-49.39	393.08	3.37	-46.02
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208594	0	37	-1.0	-53.99	344.82	-2.71	-56.70
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300008208595	0	40	-1.0	-51.88	355.04	4.17	-47.71
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1C	REAL300008208596	0	40	-1.0	-47.89	350.54	4.42	-43.47
CC1=CC2=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C2N=C1	REAL300008208597	0	40	-1.0	-52.56	344.21	4.09	-48.47
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300008208598	0	38	-1.0	-55.24	337.62	3.11	-52.13
COC1=CC(Cl)=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208599	0	36	-1.0	-47.70	327.89	2.67	-45.03
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208600	0	37	-1.0	-56.17	344.82	-2.71	-58.88
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008208601	0	44	-1.0	-55.41	399.65	0.18	-55.23
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208602	0	40	-1.0	-49.43	358.43	3.90	-45.53
O=C([O-])CCOCCNS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008208603	0	41	-1.0	-47.70	343.28	3.48	-44.22
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=CC=CN=C12	REAL300008208604	0	40	-1.0	-49.87	346.86	3.63	-46.24
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C	REAL300008208605	0	40	-1.0	-55.03	346.56	5.01	-50.02
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208606	0	43	-1.0	-54.83	385.38	0.37	-54.46
O=C([O-])CCOCCNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008208607	0	44	-1.0	-54.89	376.58	1.67	-53.22
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208608	0	38	-1.0	-57.49	351.33	-0.15	-57.64
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008208609	0	42	-1.0	-47.30	346.38	5.44	-41.86
CC1CC(C)CN(S(=O)(=O)NCCOCCC(=O)[O-])C1	REAL300008208610	0	43	-1.0	-46.14	339.79	2.61	-43.53
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008208611	0	38	-1.0	-50.21	331.69	4.69	-45.52
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008208612	0	42	-1.0	-48.98	364.82	5.74	-43.24
CC1=CC=C(F)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208613	0	35	-1.0	-46.57	311.74	3.29	-43.28
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCOCCC(=O)[O-])C=CC=C12	REAL300008208614	0	46	-1.0	-48.77	385.04	4.54	-44.23
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008208615	0	33	-1.0	-50.62	308.98	0.71	-49.91
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208616	0	36	-1.0	-49.21	327.89	2.67	-46.54
COC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208617	0	36	-1.0	-50.16	320.14	1.63	-48.53
CCC(C)(C)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208618	0	47	-1.0	-47.29	381.07	5.12	-42.17
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Cl	REAL300008208619	0	35	-1.0	-46.83	326.11	3.43	-43.40
CC(C)OC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208620	0	42	-1.0	-48.28	359.89	3.17	-45.11
CCC1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208621	0	38	-1.0	-46.94	322.10	4.11	-42.83
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008208622	0	35	-1.0	-49.68	331.13	3.54	-46.14
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008208623	0	33	-1.0	-50.66	301.44	1.04	-49.62
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008208624	0	37	-1.0	-52.78	346.90	4.81	-47.97
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008208625	0	37	-1.0	-53.14	322.85	3.44	-49.70
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008208626	0	43	-1.0	-50.40	396.14	5.72	-44.68
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208627	0	38	-1.0	-48.40	339.38	2.82	-45.58
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1F	REAL300008208628	0	36	-1.0	-50.60	326.35	1.70	-48.90
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1F	REAL300008208629	0	35	-1.0	-47.20	317.36	3.04	-44.16
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008208630	0	43	-1.0	-47.71	396.03	5.69	-42.02
CC1=CC=C(CS(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208631	0	38	-1.0	-50.07	335.80	3.71	-46.36
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C2)C=C1	REAL300008208632	0	47	-1.0	-49.19	408.80	4.47	-44.72
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C(C)C)=C1	REAL300008208633	0	59	-1.0	-45.95	448.90	8.19	-37.76
CC(C)OC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=CC=CC=C12	REAL300008208634	0	48	-1.0	-49.50	399.75	5.59	-43.91
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008208635	0	35	-1.0	-49.62	346.31	4.00	-45.62
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=CC=CC=C12	REAL300008208636	0	42	-1.0	-50.04	360.01	4.04	-46.00
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208637	0	37	-1.0	-47.14	333.55	3.88	-43.26
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208638	0	37	-1.0	-51.15	328.67	3.65	-47.50
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208639	0	40	-1.0	-48.09	350.51	4.77	-43.32
CC(C)CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208640	0	44	-1.0	-47.43	371.79	5.01	-42.42
COCCC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208641	0	42	-1.0	-48.30	367.19	2.84	-45.46
COCCN(CCOC)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208642	0	44	-1.0	-46.77	364.55	-0.48	-47.25
CC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208643	0	35	-1.0	-46.12	322.07	3.75	-42.37
COC1=C(C)C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C	REAL300008208644	0	42	-1.0	-48.15	364.21	3.21	-44.94
CC(C)CCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208645	0	48	-1.0	-47.57	402.56	4.66	-42.91
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008208646	0	46	-1.0	-47.93	385.28	4.55	-43.38
CC(C)COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208647	0	45	-1.0	-47.60	383.60	4.05	-43.55
CCCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208648	0	42	-1.0	-47.67	363.50	3.35	-44.32
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Cl	REAL300008208649	0	36	-1.0	-49.67	336.16	2.19	-47.48
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008208650	0	36	-1.0	-49.46	345.92	2.46	-47.00
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C	REAL300008208651	0	39	-1.0	-48.19	340.21	2.37	-45.82
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1OC(C)C	REAL300008208652	0	45	-1.0	-47.82	380.00	3.92	-43.90
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1	REAL300008208653	0	39	-1.0	-47.86	334.82	2.53	-45.33
COCCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208654	0	43	-1.0	-50.10	375.62	1.82	-48.28
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=CC=C1F	REAL300008208655	0	35	-1.0	-52.16	319.70	3.06	-49.10
CC1=CC(Br)=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208656	0	35	-1.0	-45.64	326.62	3.83	-41.81
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCOCCC(=O)[O-])=C1C	REAL300008208657	0	40	-1.0	-55.76	341.82	5.07	-50.69
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208658	0	41	-1.0	-54.53	366.06	0.75	-53.78
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008208659	0	44	-1.0	-52.76	399.66	0.17	-52.59
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208660	0	40	-1.0	-53.26	367.24	-1.50	-54.76
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208661	0	40	-1.0	-57.82	330.89	0.07	-57.75
CC1=NC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300008208662	0	34	-1.0	-47.74	315.87	0.89	-46.85
O=C([O-])CCOCCNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008208663	0	35	-1.0	-48.29	316.61	3.21	-45.08
COC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1F	REAL300008208664	0	36	-1.0	-48.10	326.37	1.70	-46.40
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008208665	0	42	-1.0	-48.95	364.84	5.74	-43.21
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CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300008208674	0	40	-1.0	-48.92	336.57	3.51	-45.41
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CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C2	REAL300008208676	0	45	-1.0	-51.17	390.46	6.16	-45.01
CCN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300008208677	0	37	-1.0	-58.18	340.65	3.21	-54.97
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CCC(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208680	0	40	-1.0	-56.10	353.72	3.60	-52.50
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CC(C)CCN(CCC(C)C)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208683	0	54	-1.0	-46.09	425.12	5.19	-40.90
CC1=CC=CC(CS(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208684	0	38	-1.0	-50.06	335.80	3.70	-46.36
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208685	0	40	-1.0	-56.17	367.71	-1.05	-57.22
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008208686	0	35	-1.0	-50.18	320.80	3.10	-47.08
CC1=CC=CC=C1CS(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208687	0	38	-1.0	-49.45	330.19	3.61	-45.84
CCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=CC=CC=C12	REAL300008208688	0	45	-1.0	-49.70	381.80	4.97	-44.73
CCOC1=CC=C(C)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208689	0	42	-1.0	-49.46	354.42	3.74	-45.72
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O=C([O-])CCOCCNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008208691	0	39	-1.0	-50.60	351.20	3.45	-47.15
CCOCCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208692	0	46	-1.0	-50.45	397.47	2.79	-47.66
CCCCCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208693	0	48	-1.0	-47.51	406.49	4.91	-42.60
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CCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1	REAL300008208701	0	42	-1.0	-47.72	356.67	3.45	-44.27
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208702	0	40	-1.0	-52.57	367.26	-1.51	-54.08
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008208703	0	36	-1.0	-50.30	320.92	2.42	-47.88
CSC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208704	0	36	-1.0	-48.25	330.82	3.35	-44.90
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CCN(CC1=CC=CC=C1)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208706	0	43	-1.0	-48.69	360.55	4.10	-44.59
CCN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])N=C1C	REAL300008208707	0	38	-1.0	-55.20	336.18	2.11	-53.09
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008208708	0	38	-1.0	-50.37	325.08	1.88	-48.49
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O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008208710	0	44	-1.0	-50.37	384.36	4.31	-46.06
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(F)(F)F	REAL300008208711	0	38	-1.0	-47.05	345.06	3.85	-43.20
O=C([O-])CCOCCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008208712	0	38	-1.0	-48.34	363.46	3.06	-45.28
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008208713	0	41	-1.0	-49.62	355.45	3.92	-45.70
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C12	REAL300008208714	0	40	-1.0	-51.59	356.95	2.05	-49.54
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208715	0	39	-1.0	-50.69	359.30	2.92	-47.77
COCC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208716	0	39	-1.0	-49.42	345.70	2.05	-47.37
CC1(C)CC2=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C2O1	REAL300008208717	0	43	-1.0	-50.18	361.88	3.59	-46.59
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CC1CC2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C2O1	REAL300008208723	0	40	-1.0	-48.55	347.69	2.93	-45.62
CCC1=CC=CC(CC)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208724	0	44	-1.0	-45.97	347.64	5.49	-40.48
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208725	0	44	-1.0	-52.72	378.56	1.33	-51.39
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008208726	0	43	-1.0	-49.02	396.03	5.68	-43.34
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CC1=NC(C2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C2)=CO1	REAL300008208729	0	41	-1.0	-53.33	367.03	1.40	-51.93
CN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300008208730	0	35	-1.0	-53.72	330.11	1.28	-52.44
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008208731	0	35	-1.0	-49.73	320.40	2.71	-47.02
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008208732	0	35	-1.0	-50.12	316.69	0.99	-49.13
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300008208733	0	35	-1.0	-47.80	317.82	-0.99	-48.79
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C2CCCN12	REAL300008208734	0	36	-1.0	-53.39	312.61	1.52	-51.87
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008208735	0	40	-1.0	-48.43	344.34	2.96	-45.47
O=C([O-])CCOCCNS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300008208736	0	39	-1.0	-48.89	329.69	3.88	-45.01
CC1=CC=C(N2C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N2)C=C1	REAL300008208737	0	42	-1.0	-51.78	372.60	4.11	-47.67
CC1CC2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC(Cl)=C2O1	REAL300008208738	0	40	-1.0	-49.57	364.42	3.44	-46.13
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008208739	0	37	-1.0	-48.17	334.86	3.50	-44.67
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300008208740	0	43	-1.0	-53.27	378.37	3.08	-50.19
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CN(C)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208742	0	40	-1.0	-48.90	341.73	2.72	-46.18
CC1=CC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C2C=C1	REAL300008208743	0	41	-1.0	-48.96	357.93	5.26	-43.70
COC1=C(S(=O)(=O)NCCOCCC(=O)[O-])SC=C1	REAL300008208744	0	33	-1.0	-51.93	308.65	0.47	-51.46
CN(C)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208745	0	40	-1.0	-48.96	342.16	2.73	-46.23
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O=C([O-])CCOCCNS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008208749	0	38	-1.0	-49.34	352.62	4.34	-45.00
CN1CCCC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C21	REAL300008208750	0	44	-1.0	-49.49	364.85	2.88	-46.61
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COC1=CC=CC(OC)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208752	0	40	-1.0	-52.77	344.62	2.84	-49.93
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208753	0	40	-1.0	-49.96	349.26	4.40	-45.56
CC1=CC=C(C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300008208754	0	40	-1.0	-57.02	346.81	5.30	-51.72
CC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008208755	0	40	-1.0	-48.65	349.31	4.41	-44.24
COC1=CC=C(CCS(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208756	0	42	-1.0	-50.83	365.40	3.12	-47.71
COC1=CN=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208757	0	35	-1.0	-48.87	315.21	-0.20	-49.07
CC(C)(C)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300008208758	0	41	-1.0	-46.82	363.63	3.98	-42.84
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COC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC(OC)=C1	REAL300008208760	0	40	-1.0	-50.03	349.62	0.93	-49.10
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CC1=CC=C(CCS(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208762	0	41	-1.0	-49.27	357.30	4.50	-44.77
CC1=CC2=C(C=C1S(=O)(=O)NCCOCCC(=O)[O-])OCO2	REAL300008208763	0	38	-1.0	-47.87	331.41	1.90	-45.97
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COC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1Cl	REAL300008208765	0	36	-1.0	-47.58	336.17	2.19	-45.39
CN1C=NC2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C21	REAL300008208766	0	38	-1.0	-55.68	338.91	3.67	-52.01
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300008208767	0	40	-1.0	-55.49	339.04	3.85	-51.64
CC1=NC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C2O1	REAL300008208768	0	37	-1.0	-51.25	334.28	-0.01	-51.26
CCC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1CC	REAL300008208769	0	44	-1.0	-47.80	367.71	4.89	-42.91
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208770	0	40	-1.0	-46.70	341.56	4.34	-42.36
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208771	0	42	-1.0	-50.35	349.61	3.89	-46.46
CC1=C(C)SC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208772	0	35	-1.0	-47.39	324.29	2.74	-44.65
NC1=NC=C(Cl)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208773	0	33	-1.0	-46.25	312.84	0.21	-46.04
CCC1=NC=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300008208774	0	34	-1.0	-47.87	320.65	0.91	-46.96
CN(C)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300008208775	0	39	-1.0	-49.10	339.03	2.19	-46.91
CC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300008208776	0	35	-1.0	-46.86	320.24	2.95	-43.91
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O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008208778	0	35	-1.0	-49.78	310.98	0.89	-48.89
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC(C)=C1F	REAL300008208779	0	38	-1.0	-46.92	337.67	3.67	-43.25
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008208780	0	39	-1.0	-51.25	346.64	2.08	-49.17
O=C([O-])CCOCCNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008208781	0	45	-1.0	-51.66	391.42	3.88	-47.78
O=C([O-])CCOCCNS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300008208782	0	36	-1.0	-56.13	329.06	2.39	-53.74
O=C([O-])CCOCCNS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008208783	0	34	-1.0	-51.34	314.97	2.09	-49.25
CC1=NC(CS(=O)(=O)NCCOCCC(=O)[O-])=CS1	REAL300008208784	0	34	-1.0	-51.42	320.98	0.72	-50.70
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008208785	0	35	-1.0	-49.47	331.13	3.55	-45.92
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1Cl	REAL300008208786	0	35	-1.0	-46.60	326.11	3.42	-43.18
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008208787	0	38	-1.0	-52.49	338.75	3.31	-49.18
CC1=CSC(C2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C2)=N1	REAL300008208788	0	41	-1.0	-49.10	376.88	3.80	-45.30
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008208789	0	40	-1.0	-50.11	333.99	3.52	-46.59
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008208790	0	39	-1.0	-55.20	355.75	0.19	-55.01
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008208791	0	41	-1.0	-51.29	352.41	2.68	-48.61
O=C([O-])CCOCCNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008208792	0	35	-1.0	-48.86	334.27	3.54	-45.32
CCC(C)OC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208793	0	45	-1.0	-50.00	380.67	3.99	-46.01
COC(CS(=O)(=O)NCCOCCC(=O)[O-])C1CCCC1	REAL300008208794	0	45	-1.0	-49.06	367.99	2.64	-46.42
COC(CS(=O)(=O)NCCOCCC(=O)[O-])C1CCCCC1	REAL300008208795	0	48	-1.0	-49.63	382.32	3.34	-46.29
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008208796	0	46	-1.0	-51.66	408.12	5.68	-45.98
CCOC(CS(=O)(=O)NCCOCCC(=O)[O-])C1CC1	REAL300008208797	0	42	-1.0	-48.73	354.72	2.63	-46.10
CCCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(C)C	REAL300008208798	0	51	-1.0	-47.37	422.10	5.38	-41.99
CCC1=NC(S(=O)(=O)NCCOCCC(=O)[O-])=CN1CC1CC1	REAL300008208799	0	45	-1.0	-54.76	384.75	4.10	-50.66
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008208800	0	35	-1.0	-47.97	330.38	1.83	-46.14
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008208801	0	40	-1.0	-51.23	353.75	4.79	-46.44
CN1N=CC(C2CC2)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208802	0	39	-1.0	-47.44	337.20	2.21	-45.23
O=C([O-])CCOCCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008208803	0	45	-1.0	-48.28	391.60	4.65	-43.63
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208804	0	35	-1.0	-46.84	332.25	0.94	-45.90
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008208805	0	43	-1.0	-48.59	391.27	6.43	-42.16
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008208806	0	42	-1.0	-51.36	356.72	5.74	-45.62
CCC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C(C)C=C1OC	REAL300008208807	0	45	-1.0	-47.35	376.49	4.00	-43.35
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008208808	0	38	-1.0	-46.72	361.86	4.20	-42.52
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCCOCCC(=O)[O-])=N1	REAL300008208809	1	34	-1.0	-55.83	317.74	1.32	-54.51
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300008208810	0	41	-1.0	-48.74	341.37	5.39	-43.35
CC(C)OC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300008208811	0	41	-1.0	-48.30	359.81	0.88	-47.42
COC1=C(F)C=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208812	0	36	-1.0	-47.63	315.27	2.43	-45.20
CCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(C)C	REAL300008208813	0	48	-1.0	-47.62	400.60	4.58	-43.04
CC(C)(C)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1F	REAL300008208814	0	44	-1.0	-46.69	368.87	4.59	-42.10
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008208815	0	51	-1.0	-49.44	416.25	6.84	-42.60
CN1N=C2CCCCC2=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208816	0	42	-1.0	-48.21	349.61	2.36	-45.85
CN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C(C)(C)C)=N1	REAL300008208817	0	44	-1.0	-49.45	361.27	2.60	-46.85
O=C([O-])CCOCCNS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008208818	0	42	-1.0	-48.63	358.03	2.68	-45.95
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208819	0	35	-1.0	-45.77	316.87	0.91	-44.86
COC1=CC=C(F)C=C1CS(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208820	0	39	-1.0	-51.18	348.97	2.47	-48.71
C=CCCC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208821	0	42	-1.0	-47.68	367.83	5.11	-42.57
CCC1=NN(C)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208822	0	38	-1.0	-50.44	334.90	1.44	-49.00
CCCCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(C)C	REAL300008208823	0	54	-1.0	-47.81	443.60	6.16	-41.65
O=C([O-])CCOCCNS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008208824	0	36	-1.0	-48.13	339.27	4.03	-44.10
CCCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(C)(C)C	REAL300008208825	0	54	-1.0	-47.19	434.65	6.05	-41.14
CCCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1CC	REAL300008208826	0	48	-1.0	-47.96	405.18	4.84	-43.12
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208827	0	38	-1.0	-45.37	333.47	4.33	-41.04
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208828	0	38	-1.0	-48.81	351.48	4.22	-44.59
O=C([O-])CCOCCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008208829	0	36	-1.0	-49.42	336.78	3.94	-45.48
CCCC1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208830	0	41	-1.0	-46.81	343.47	4.87	-41.94
COC1=NC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208831	0	35	-1.0	-49.63	308.91	-0.46	-50.09
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208832	0	48	-1.0	-51.43	405.19	5.09	-46.34
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008208833	0	37	-1.0	-53.63	326.78	2.88	-50.75
CC1=CSC(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208834	0	35	-1.0	-46.20	313.33	3.00	-43.20
O=C([O-])CCOCCNS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008208835	0	39	-1.0	-49.04	340.53	2.01	-47.03
O=C([O-])CCOCCNS(=O)(=O)C1=CC=NN1C1CCC1	REAL300008208836	0	39	-1.0	-48.79	332.97	1.92	-46.87
O=C([O-])CCOCCNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008208837	0	42	-1.0	-48.08	350.07	2.67	-45.41
CC1(C)COC2=C(S(=O)(=O)NCCOCCC(=O)[O-])C=NN2C1	REAL300008208838	0	43	-1.0	-51.08	361.55	0.38	-50.70
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008208839	0	38	-1.0	-49.10	357.48	3.23	-45.87
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C2CCCCN12	REAL300008208840	0	39	-1.0	-50.77	331.59	2.29	-48.48
COC1=CC(C(C)C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C	REAL300008208841	0	48	-1.0	-47.27	394.09	4.45	-42.82
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208842	0	42	-1.0	-48.99	355.46	3.67	-45.32
CC1CC2=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C2O1	REAL300008208843	0	40	-1.0	-50.19	337.88	2.83	-47.36
CC(C)(C)C1=NC=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300008208844	0	40	-1.0	-47.75	359.30	1.99	-45.76
O=C([O-])CCOCCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008208845	0	38	-1.0	-50.46	344.31	2.96	-47.50
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208846	0	37	-1.0	-56.44	331.33	1.93	-54.51
O=C([O-])CCOCCNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008208847	0	41	-1.0	-46.73	336.41	2.30	-44.43
O=C([O-])CCOCCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300008208848	0	36	-1.0	-49.59	338.62	2.58	-47.01
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008208849	0	33	-1.0	-46.91	305.52	1.11	-45.80
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008208850	0	35	-1.0	-48.44	329.49	3.75	-44.69
CN1N=C(C2CC2)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208851	0	39	-1.0	-48.36	341.56	2.10	-46.26
CC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1F	REAL300008208852	0	41	-1.0	-46.10	338.77	4.35	-41.75
COC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1OC	REAL300008208853	0	40	-1.0	-49.03	338.28	2.12	-46.91
O=C([O-])CCOCCNS(=O)(=O)C1=COC2=CC=CC=C12	REAL300008208854	0	35	-1.0	-49.68	313.58	2.28	-47.40
CN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C2CCCC2)=N1	REAL300008208855	0	45	-1.0	-49.88	364.97	2.60	-47.28
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208856	0	44	-1.0	-50.68	369.81	2.93	-47.75
CCCCN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=N1	REAL300008208857	0	44	-1.0	-50.47	380.16	3.01	-47.46
CN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C2CC2)=N1	REAL300008208858	0	39	-1.0	-50.56	334.27	1.70	-48.86
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008208859	0	36	-1.0	-49.56	329.89	1.91	-47.65
CN1N=NC2=C(S(=O)(=O)NCCOCCC(=O)[O-])C=CC=C21	REAL300008208860	0	37	-1.0	-55.38	328.99	0.75	-54.63
CC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Br	REAL300008208861	0	38	-1.0	-46.17	344.84	4.41	-41.76
CC1(C)CCCN(S(=O)(=O)NCCOCCC(=O)[O-])C1	REAL300008208862	0	43	-1.0	-46.51	345.13	2.72	-43.79
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008208863	0	38	-1.0	-48.40	358.85	3.46	-44.94
CN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C2CCC2)=N1	REAL300008208864	0	42	-1.0	-50.43	362.46	2.70	-47.73
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208865	0	50	-1.0	-46.77	404.77	6.34	-40.43
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008208866	0	38	-1.0	-48.87	361.85	4.20	-44.67
O=C([O-])CCOCCNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008208867	0	42	-1.0	-51.49	364.61	2.96	-48.53
O=C([O-])CCOCCNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008208868	0	36	-1.0	-48.34	322.22	3.30	-45.04
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008208869	0	43	-1.0	-48.64	380.40	5.14	-43.50
COC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300008208870	0	41	-1.0	-56.96	356.07	3.54	-53.42
CCCC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208871	0	41	-1.0	-47.83	355.03	4.54	-43.29
CN1N=C2CCCC2=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208872	0	39	-1.0	-49.35	335.33	1.88	-47.47
CC1=CC=CC(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208873	0	38	-1.0	-46.56	317.32	3.85	-42.71
CC(C)(C)N1N=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208874	0	41	-1.0	-47.79	339.29	1.99	-45.80
CC(C)(C)N1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300008208875	0	41	-1.0	-50.79	355.13	2.03	-48.76
O=C([O-])CCOCCNS(=O)(=O)C1=CNN=C1C1CCC1	REAL300008208876	0	39	-1.0	-49.62	340.10	1.38	-48.24
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CN=C1C(F)(F)F	REAL300008208877	0	37	-1.0	-48.83	341.56	2.14	-46.69
O=C([O-])CCOCCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008208878	0	35	-1.0	-46.32	335.78	3.40	-42.92
CC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1C	REAL300008208879	0	38	-1.0	-47.20	323.19	3.67	-43.53
CCCC(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208880	0	43	-1.0	-55.90	375.22	4.36	-51.54
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008208881	0	43	-1.0	-47.99	359.31	5.40	-42.59
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008208882	0	38	-1.0	-47.99	353.05	3.37	-44.62
O=C([O-])CCOCCNS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008208883	0	38	-1.0	-47.67	333.08	2.77	-44.90
O=C([O-])CCOCCNS(=O)(=O)CC1=NOC2=C1COCC2	REAL300008208884	0	39	-1.0	-54.10	343.68	0.66	-53.44
O=C([O-])CCOCCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008208885	0	32	-1.0	-49.70	309.91	2.72	-46.98
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008208886	0	39	-1.0	-48.16	339.84	4.43	-43.73
COC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C=CS1	REAL300008208887	0	33	-1.0	-48.77	306.45	0.84	-47.93
O=C([O-])CCOCCNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008208888	0	42	-1.0	-49.48	356.62	2.74	-46.74
CCC(C)N1N=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208889	0	41	-1.0	-47.51	350.59	2.22	-45.29
CN(C1CCCCCC1)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208890	0	46	-1.0	-46.86	361.28	3.32	-43.54
CN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C2CCOCC2)=N1	REAL300008208891	0	46	-1.0	-50.87	389.14	1.45	-49.42
CC(F)(F)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208892	0	38	-1.0	-49.85	343.85	3.86	-45.99
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008208893	0	36	-1.0	-50.18	329.89	1.91	-48.27
O=C([O-])CCOCCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008208894	0	47	-1.0	-47.65	386.15	4.99	-42.66
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300008208895	0	33	-1.0	-47.43	314.42	0.78	-46.65
CC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=NC=CC=C12	REAL300008208896	0	43	-1.0	-53.05	362.09	4.68	-48.37
O=C([O-])CCOCCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008208897	0	40	-1.0	-48.52	344.26	2.32	-46.20
O=C([O-])CCOCCNS(=O)(=O)C1=CN(CCF)N=C1	REAL300008208898	0	35	-1.0	-49.29	323.30	1.03	-48.26
CCOCC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208899	0	42	-1.0	-49.42	367.56	3.02	-46.40
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208900	0	42	-1.0	-49.63	370.32	3.51	-46.12
O=C([O-])CCOCCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008208901	0	45	-1.0	-48.40	377.02	3.28	-45.12
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008208902	0	43	-1.0	-48.36	379.33	5.17	-43.19
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1CF	REAL300008208903	0	35	-1.0	-49.66	310.47	3.40	-46.26
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC(C)=C1Br	REAL300008208904	0	38	-1.0	-46.70	348.33	4.07	-42.63
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=CC=CC=C12	REAL300008208905	0	41	-1.0	-50.21	349.37	5.22	-44.99
CN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008208906	0	42	-1.0	-50.26	357.88	3.24	-47.02
O=C([O-])CCOCCNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008208907	0	36	-1.0	-48.18	328.95	3.58	-44.60
O=C([O-])CCOCCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008208908	0	36	-1.0	-48.09	343.83	4.12	-43.97
O=C([O-])CCOCCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008208909	0	36	-1.0	-47.75	343.83	4.13	-43.62
O=C([O-])CCOCCNS(=O)(=O)CCC1NC(=O)NC1=O	REAL300008208910	0	37	-1.0	-56.60	333.83	-3.73	-60.33
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008208911	0	35	-1.0	-54.15	318.45	2.64	-51.51
O=C([O-])CCOCCNS(=O)(=O)C1CCC(F)(F)CC1	REAL300008208912	0	38	-1.0	-50.63	327.22	2.82	-47.81
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008208913	0	34	-1.0	-51.40	321.59	1.72	-49.68
O=C([O-])CCOCCNS(=O)(=O)CCOC1CCOC1	REAL300008208914	0	40	-1.0	-50.92	345.46	-0.49	-51.41
CC1=NC(S(=O)(=O)NCCOCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008208915	0	41	-1.0	-50.92	364.50	1.51	-49.41
O=C([O-])CCOCCNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008208916	0	49	-1.0	-48.08	367.63	5.21	-42.87
CC1(C)COC(CS(=O)(=O)NCCOCCC(=O)[O-])C1	REAL300008208917	0	42	-1.0	-50.18	351.21	1.50	-48.68
O=C([O-])CCOCCNS(=O)(=O)CC1CS(=O)(=O)C1	REAL300008208918	0	35	-1.0	-56.70	321.62	-2.00	-58.70
CC(C)(CS(=O)(=O)NCCOCCC(=O)[O-])C(C)(F)F	REAL300008208919	0	40	-1.0	-48.19	329.63	2.78	-45.41
CS(=O)(=O)CCCCS(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208920	0	40	-1.0	-59.66	361.12	-0.88	-60.54
CC1(C)CCC(CS(=O)(=O)NCCOCCC(=O)[O-])OC1	REAL300008208921	0	45	-1.0	-50.65	364.90	2.68	-47.97
O=C([O-])CCOCCNS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008208922	0	42	-1.0	-48.42	361.16	4.61	-43.81
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008208923	0	36	-1.0	-52.98	338.61	1.35	-51.63
O=C([O-])CCOCCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008208924	0	42	-1.0	-52.09	373.93	5.22	-46.87
O=C([O-])CCOCCNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008208925	0	41	-1.0	-51.64	344.68	-0.24	-51.88
O=C([O-])CCOCCNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008208926	0	45	-1.0	-48.17	358.20	4.32	-43.85
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008208927	0	36	-1.0	-47.18	334.45	3.63	-43.55
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C21	REAL300008208928	0	54	-1.0	-47.41	420.22	6.50	-40.91
COC1=CC=C(C=C(C)S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208929	0	43	-1.0	-48.66	363.97	3.20	-45.46
COC1=CSC(S(=O)(=O)NCCOCCC(=O)[O-])=C1OC	REAL300008208930	0	37	-1.0	-50.11	339.41	0.19	-49.92
O=C([O-])CCOCCNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008208931	0	44	-1.0	-46.66	351.09	2.78	-43.88
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208932	0	43	-1.0	-48.71	370.91	4.23	-44.48
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008208933	0	36	-1.0	-49.87	339.33	3.12	-46.75
COC1=CC(F)=C(S(=O)(=O)NCCOCCC(=O)[O-])C(F)=C1	REAL300008208934	0	36	-1.0	-49.10	328.63	1.89	-47.21
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008208935	0	36	-1.0	-49.31	336.13	1.97	-47.34
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208936	0	38	-1.0	-49.68	335.05	2.27	-47.41
CN1C=CC2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C21	REAL300008208937	0	39	-1.0	-50.97	344.35	4.09	-46.88
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008208938	0	41	-1.0	-48.17	369.51	2.81	-45.36
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208939	0	45	-1.0	-50.38	384.42	4.74	-45.64
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008208940	0	43	-1.0	-49.03	381.06	5.24	-43.79
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208941	0	38	-1.0	-52.69	327.46	4.34	-48.35
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008208942	0	33	-1.0	-49.13	325.80	1.20	-47.93
C=C(C)COC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208943	0	43	-1.0	-50.56	374.31	3.95	-46.61
CCN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C2CC2)=N1	REAL300008208944	0	42	-1.0	-50.24	355.80	2.57	-47.67
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=NSN=C2C=C1	REAL300008208945	0	36	-1.0	-50.65	328.65	1.72	-48.93
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008208946	0	38	-1.0	-47.77	353.27	5.10	-42.67
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008208947	0	42	-1.0	-47.61	381.56	6.26	-41.35
O=C([O-])CCOCCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008208948	0	31	-1.0	-51.71	317.97	0.30	-51.41
CCC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1Br	REAL300008208949	0	38	-1.0	-46.37	349.68	4.19	-42.18
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208950	0	45	-1.0	-47.71	377.41	3.51	-44.20
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=CS1	REAL300008208951	0	29	-1.0	-46.42	299.44	1.84	-44.58
COCCC1=CC=C(OC)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208952	0	46	-1.0	-50.26	387.73	2.66	-47.60
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008208953	0	38	-1.0	-48.42	337.99	4.64	-43.78
CN1N=C2CCOCC2=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208954	0	40	-1.0	-48.58	341.28	-0.01	-48.59
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008208955	0	39	-1.0	-47.78	333.55	4.56	-43.22
CC1(C)CCN(S(=O)(=O)NCCOCCC(=O)[O-])CC1	REAL300008208956	0	43	-1.0	-46.23	341.14	2.30	-43.93
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008208957	0	47	-1.0	-49.05	392.52	2.71	-46.34
COC1=NC=C(Cl)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208958	0	35	-1.0	-47.23	325.72	0.01	-47.22
COC1=NC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C	REAL300008208959	0	38	-1.0	-48.58	337.95	-0.25	-48.83
CC(C)CN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300008208960	0	41	-1.0	-50.84	353.57	2.47	-48.37
CC1=NN(C(C)C)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208961	0	41	-1.0	-49.93	354.26	2.03	-47.90
O=C([O-])CCOCCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008208962	0	42	-1.0	-49.09	352.86	0.10	-48.99
COCC1=CC(CS(=O)(=O)NCCOCCC(=O)[O-])=NO1	REAL300008208963	0	38	-1.0	-54.30	344.98	0.20	-54.10
O=C([O-])CCOCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008208964	0	37	-1.0	-48.60	343.78	4.57	-44.03
CC(C)(C)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])N=C1	REAL300008208965	0	43	-1.0	-48.51	360.29	2.92	-45.59
CC(C)N1N=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208966	0	38	-1.0	-47.58	332.35	1.58	-46.00
O=C([O-])CCOCCNS(=O)(=O)C1=CC=NN1CC1CC1	REAL300008208967	0	39	-1.0	-47.21	339.24	2.50	-44.71
O=C([O-])CCOCCNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008208968	0	39	-1.0	-48.83	345.87	3.59	-45.24
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008208969	0	34	-1.0	-49.83	316.08	1.46	-48.37
O=C([O-])CCOCCNS(=O)(=O)N1CCC2=CC=CN=C21	REAL300008208970	0	37	-1.0	-50.99	325.77	2.71	-48.28
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C=NN1C(C)C	REAL300008208971	0	41	-1.0	-48.52	353.91	2.13	-46.39
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300008208972	0	46	-1.0	-48.85	399.43	5.89	-42.96
O=C([O-])CCOCCNS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008208973	0	37	-1.0	-52.05	324.50	3.00	-49.05
CC1=CN=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1	REAL300008208974	0	37	-1.0	-48.96	323.13	1.91	-47.05
O=C([O-])CCOCCNS(=O)(=O)N1CC=C(Br)CC1	REAL300008208975	0	35	-1.0	-46.97	322.08	2.05	-44.92
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208976	0	40	-1.0	-56.84	348.90	-1.87	-58.71
O=C([O-])CCOCCNS(=O)(=O)N1CC2CCC(C1)O2	REAL300008208977	0	39	-1.0	-46.91	321.87	0.44	-46.47
N#CC1CCN(S(=O)(=O)NCCOCCC(=O)[O-])CC1	REAL300008208978	0	38	-1.0	-51.54	328.93	1.81	-49.73
COC1=CC=NC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208979	0	35	-1.0	-50.51	317.00	-0.32	-50.83
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C(F)F)=C1	REAL300008208980	0	39	-1.0	-49.25	342.22	2.97	-46.28
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])N=C1	REAL300008208981	0	35	-1.0	-49.03	313.30	-0.10	-49.13
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208982	0	38	-1.0	-47.31	347.86	0.47	-46.84
O=C([O-])CCOCCNS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008208983	0	37	-1.0	-49.51	327.23	2.76	-46.75
CCOC1=CC=CN=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300008208984	0	38	-1.0	-53.55	332.98	1.71	-51.84
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=NC=CC=C12	REAL300008208985	0	40	-1.0	-53.16	340.59	3.98	-49.18
O=C([O-])CCOCCNS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300008208986	0	36	-1.0	-50.76	317.20	1.97	-48.79
O=C([O-])CCOCCNS(=O)(=O)N1CCC(F)(F)C1	REAL300008208987	0	34	-1.0	-48.42	307.63	0.82	-47.60
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008208988	0	34	-1.0	-53.09	321.63	1.30	-51.79
O=C([O-])CCOCCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300008208989	0	39	-1.0	-50.03	356.27	2.96	-47.07
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300008208990	0	45	-1.0	-49.24	372.28	4.36	-44.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H]1OCC[C@H]1C	REAL300008208991	0	39	-1.0	-53.83	320.71	3.63	-50.20
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H]1OCC[C@H]1C	REAL300008208992	0	40	-1.0	-57.02	323.20	2.49	-54.53
CC1=CC=C(S(=O)(=O)NC[C@H]2OCC[C@H]2C)C=C1C(=O)[O-]	REAL300008208993	0	39	-1.0	-54.86	322.04	3.26	-51.60
C[C@@H]1CCO[C@@H]1CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008208994	0	33	-1.0	-51.16	289.21	2.50	-48.66
C[C@@H]1CCO[C@@H]1CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008208995	0	36	-1.0	-51.21	310.60	0.85	-50.36
C[C@@H]1CCO[C@@H]1CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008208996	0	33	-1.0	-47.58	298.32	1.86	-45.72
C[C@@H]1CCO[C@@H]1CNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008208997	0	41	-1.0	-50.29	322.96	1.74	-48.55
C[C@@H]1CCO[C@@H]1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008208998	0	41	-1.0	-51.10	324.64	1.85	-49.25
C[C@@H]1CCO[C@@H]1CNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008208999	0	36	-1.0	-48.23	311.99	4.10	-44.13
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC[C@H]2OCC[C@H]2C)O1	REAL300008209000	0	36	-1.0	-50.98	310.66	1.61	-49.37
COC1=CC=C(F)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210627	0	38	-1.0	-51.65	326.91	5.59	-46.06
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210628	0	45	-1.0	-50.72	371.84	5.64	-45.08
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300008210629	0	45	-1.0	-54.23	387.21	2.65	-51.58
CN(CCCCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008210630	0	52	-1.0	-49.69	385.05	7.33	-42.36
CC1=NC2=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=CC=C2C=C1	REAL300008210631	0	42	-1.0	-57.45	352.54	7.24	-50.21
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008210632	0	42	-1.0	-53.65	360.64	7.50	-46.15
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008210633	0	45	-1.0	-53.21	375.17	4.18	-49.03
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210634	0	48	-1.0	-56.36	414.11	6.83	-49.53
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210635	0	48	-1.0	-52.19	402.36	6.78	-45.41
CCCN1C=NC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210636	0	40	-1.0	-55.71	345.50	6.40	-49.31
CC(COC1CCCC1)CS(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210637	0	50	-1.0	-50.39	396.54	6.96	-43.43
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210638	0	41	-1.0	-50.14	366.23	5.95	-44.19
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008210639	0	42	-1.0	-51.42	356.05	3.40	-48.02
COC1=CC(Br)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210640	0	38	-1.0	-50.43	348.81	5.57	-44.86
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008210641	0	38	-1.0	-49.60	336.66	5.86	-43.74
COC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008210642	0	40	-1.0	-51.63	351.40	6.31	-45.32
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210643	0	40	-1.0	-49.77	343.86	7.14	-42.63
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210644	0	40	-1.0	-52.88	343.84	7.14	-45.74
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300008210645	0	40	-1.0	-48.44	350.31	7.08	-41.36
CC(C)C1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210646	0	43	-1.0	-51.54	342.77	7.20	-44.34
CCOC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210647	0	41	-1.0	-52.71	347.24	5.79	-46.92
COCCN1C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=N1	REAL300008210648	0	41	-1.0	-53.51	357.76	3.25	-50.26
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008210649	0	41	-1.0	-56.26	362.97	6.15	-50.11
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008210650	0	42	-1.0	-54.82	369.19	7.77	-47.05
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008210651	0	39	-1.0	-54.41	339.19	6.02	-48.39
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008210652	0	37	-1.0	-50.71	340.78	6.93	-43.78
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300008210653	0	37	-1.0	-52.67	336.27	6.89	-45.78
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008210654	0	41	-1.0	-58.99	360.57	3.44	-55.55
CC1=CC(Br)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210655	0	37	-1.0	-50.72	340.71	6.93	-43.79
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210656	0	37	-1.0	-50.60	330.50	6.96	-43.64
COCC1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210657	0	41	-1.0	-52.72	346.40	5.90	-46.82
COC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1Br	REAL300008210658	0	38	-1.0	-48.97	345.80	5.54	-43.43
COC1=CC(OC)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Cl	REAL300008210659	0	42	-1.0	-53.40	365.88	5.41	-47.99
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008210660	0	37	-1.0	-53.88	341.97	4.71	-49.17
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008210661	0	37	-1.0	-53.47	335.94	4.54	-48.93
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008210662	0	45	-1.0	-51.02	375.47	6.91	-44.11
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008210663	0	37	-1.0	-55.92	334.38	4.75	-51.17
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210664	0	46	-1.0	-56.61	402.28	4.82	-51.79
CSC1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210665	0	38	-1.0	-53.17	324.35	6.28	-46.89
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008210666	0	42	-1.0	-54.50	374.82	2.34	-52.16
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210667	0	45	-1.0	-66.92	382.29	5.55	-61.37
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1F	REAL300008210668	0	45	-1.0	-53.66	396.29	3.23	-50.43
CCC1=CC=C(CS(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210669	0	43	-1.0	-52.99	364.15	7.83	-45.16
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=CS1	REAL300008210670	0	37	-1.0	-51.93	333.00	6.26	-45.67
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008210671	0	49	-1.0	-49.46	409.61	6.01	-43.45
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008210672	0	46	-1.0	-57.15	392.52	5.52	-51.63
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210673	0	43	-1.0	-55.52	378.04	3.99	-51.53
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210674	0	44	-1.0	-60.98	381.21	3.04	-57.94
CC1=CC=C(CS(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300008210675	0	43	-1.0	-52.02	357.91	7.52	-44.50
CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Br	REAL300008210676	0	41	-1.0	-52.33	367.65	6.45	-45.88
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300008210677	0	48	-1.0	-50.15	404.04	8.64	-41.51
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008210678	0	38	-1.0	-49.47	346.99	6.31	-43.16
COC1=CC=C(Br)C(CS(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210679	0	41	-1.0	-52.33	365.68	6.18	-46.15
CN(CCCCC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1	REAL300008210680	0	43	-1.0	-49.75	344.82	3.83	-45.92
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008210681	0	48	-1.0	-50.65	408.91	7.53	-43.12
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210682	0	41	-1.0	-51.44	360.00	6.71	-44.73
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C21	REAL300008210683	0	46	-1.0	-52.58	388.73	7.18	-45.40
CCS(=O)(=O)NCCS(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210684	0	41	-1.0	-59.88	359.57	0.34	-59.54
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300008210685	0	40	-1.0	-52.73	350.73	6.96	-45.77
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008210686	0	37	-1.0	-50.67	353.65	7.58	-43.09
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008210687	0	40	-1.0	-52.90	361.50	8.38	-44.52
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008210688	0	37	-1.0	-48.24	344.57	7.33	-40.91
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008210689	0	40	-1.0	-52.98	349.25	8.15	-44.83
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008210690	0	40	-1.0	-52.86	359.61	7.39	-45.47
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008210691	0	45	-1.0	-53.74	378.66	7.01	-46.73
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008210692	0	48	-1.0	-52.95	406.07	9.04	-43.91
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008210693	0	47	-1.0	-56.96	403.30	7.14	-49.82
CN(CCCCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008210694	0	45	-1.0	-58.48	395.73	2.66	-55.82
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008210695	0	43	-1.0	-52.07	365.06	8.48	-43.59
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1N(C)C	REAL300008210696	0	45	-1.0	-49.48	370.48	6.22	-43.26
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008210697	0	40	-1.0	-49.66	357.17	7.54	-42.12
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008210698	0	39	-1.0	-54.50	332.70	2.61	-51.89
CN(CCCCC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300008210699	0	47	-1.0	-49.91	380.47	6.06	-43.85
COC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Cl	REAL300008210700	0	41	-1.0	-53.46	350.29	5.97	-47.49
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008210701	0	43	-1.0	-60.57	380.18	3.83	-56.74
CSC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Cl	REAL300008210702	0	38	-1.0	-52.17	351.08	7.03	-45.14
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210703	0	46	-1.0	-51.05	367.26	5.95	-45.10
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008210704	0	42	-1.0	-54.43	369.17	4.21	-50.22
CCC1=NOC2=NC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C12	REAL300008210705	0	41	-1.0	-54.78	359.85	3.32	-51.46
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008210706	0	45	-1.0	-51.32	394.51	5.47	-45.85
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008210707	0	39	-1.0	-52.40	342.38	4.77	-47.63
CCC1=CC(CC)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(CC)=C1	REAL300008210708	0	52	-1.0	-47.48	399.07	9.96	-37.52
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008210709	0	41	-1.0	-59.18	343.80	5.69	-53.49
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008210710	0	40	-1.0	-50.09	366.62	3.72	-46.37
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008210711	0	43	-1.0	-60.20	364.10	9.45	-50.75
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1F	REAL300008210712	0	41	-1.0	-52.24	339.08	5.40	-46.84
CN(CCCCC(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300008210713	0	46	-1.0	-51.20	347.35	7.18	-44.02
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008210714	0	43	-1.0	-52.23	357.44	6.99	-45.24
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008210716	0	42	-1.0	-51.98	367.45	6.94	-45.04
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210717	0	41	-1.0	-51.74	370.42	5.84	-45.90
CC1=CC=C(CS(=O)(=O)N(C)CCCCC(=O)[O-])C(F)=C1	REAL300008210718	0	40	-1.0	-51.56	346.24	7.03	-44.53
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008210720	0	34	-1.0	-50.00	330.58	5.84	-44.16
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008210721	0	47	-1.0	-53.18	386.26	8.97	-44.21
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008210722	0	45	-1.0	-55.61	377.61	6.32	-49.29
CN(CCCCC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008210723	0	43	-1.0	-61.99	358.65	2.85	-59.14
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008210724	0	37	-1.0	-52.17	334.18	6.11	-46.06
CC1=C(CCS(=O)(=O)N(C)CCCCC(=O)[O-])SC=N1	REAL300008210725	0	39	-1.0	-51.99	344.50	4.82	-47.17
CN(CCCCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300008210726	0	44	-1.0	-51.64	342.16	7.14	-44.50
COC1=CC=C2C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])CCC2=C1	REAL300008210727	0	46	-1.0	-51.43	375.73	7.14	-44.29
CN(CCCCC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008210728	0	45	-1.0	-62.72	368.98	2.71	-60.01
CN(CCCCC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300008210729	0	43	-1.0	-51.03	351.24	6.81	-44.22
CN(CCCCC(=O)[O-])S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008210730	0	41	-1.0	-51.66	348.89	7.77	-43.89
CCC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008210731	0	42	-1.0	-57.85	358.33	7.40	-50.45
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008210732	0	34	-1.0	-49.40	315.34	6.12	-43.28
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008210733	0	34	-1.0	-49.32	319.91	6.23	-43.09
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008210734	0	36	-1.0	-50.16	324.09	6.24	-43.92
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008210735	0	40	-1.0	-50.65	341.78	7.83	-42.82
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008210736	0	36	-1.0	-57.44	324.10	6.24	-51.20
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210737	0	39	-1.0	-52.32	333.08	6.73	-45.59
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210738	0	38	-1.0	-51.68	328.10	4.90	-46.78
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008210739	0	36	-1.0	-65.34	317.41	7.54	-57.80
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210740	0	41	-1.0	-51.30	363.50	7.06	-44.24
CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210741	0	41	-1.0	-51.43	349.96	5.83	-45.60
CC1=CC(C)=C(C)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1C	REAL300008210742	0	46	-1.0	-47.94	346.21	7.72	-40.22
CC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1	REAL300008210743	0	43	-1.0	-48.30	337.53	7.52	-40.78
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210744	0	49	-1.0	-50.58	381.07	8.38	-42.20
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008210745	0	37	-1.0	-52.12	334.94	6.59	-45.53
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008210746	0	37	-1.0	-56.30	326.28	7.16	-49.14
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008210747	0	34	-1.0	-50.58	312.63	6.08	-44.50
CC(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210748	0	39	-1.0	-55.32	339.86	6.02	-49.30
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008210749	0	40	-1.0	-50.76	351.38	6.31	-44.45
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300008210750	0	46	-1.0	-50.50	374.82	7.93	-42.57
CC(C)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210751	0	43	-1.0	-49.06	356.09	7.50	-41.56
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210752	0	45	-1.0	-54.66	393.36	3.65	-51.01
CCCC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210753	0	43	-1.0	-50.71	363.01	7.83	-42.88
COC1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210754	0	38	-1.0	-53.03	320.51	5.52	-47.51
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Br	REAL300008210755	0	38	-1.0	-52.41	345.78	5.53	-46.88
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1Br	REAL300008210756	0	37	-1.0	-47.93	335.38	6.75	-41.18
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C2)=C1	REAL300008210757	0	48	-1.0	-51.34	408.72	9.13	-42.21
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008210758	0	38	-1.0	-48.98	344.60	5.40	-43.58
CC1=C(C)C(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1C	REAL300008210759	0	49	-1.0	-50.67	365.84	8.45	-42.22
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008210760	0	43	-1.0	-52.23	360.82	5.59	-46.64
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210761	0	50	-1.0	-52.51	396.66	7.84	-44.67
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008210762	0	39	-1.0	-57.78	340.10	6.76	-51.02
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210763	0	38	-1.0	-51.27	341.80	6.14	-45.13
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210764	0	52	-1.0	-48.04	392.32	9.17	-38.87
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008210765	0	37	-1.0	-49.52	337.35	6.61	-42.91
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008210766	0	44	-1.0	-49.39	358.61	8.06	-41.33
COC1=CC=C(OC)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210767	0	42	-1.0	-53.80	349.97	4.81	-48.99
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1OC	REAL300008210768	0	42	-1.0	-52.16	354.60	4.77	-47.39
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008210769	0	41	-1.0	-51.40	343.53	7.56	-43.84
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008210770	0	42	-1.0	-49.90	346.23	7.84	-42.06
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008210771	0	39	-1.0	-51.24	333.93	5.50	-45.74
CC(C)CCC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210772	0	49	-1.0	-50.68	402.07	9.11	-41.57
CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1OCC	REAL300008210773	0	48	-1.0	-50.34	398.31	6.61	-43.73
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008210774	0	39	-1.0	-56.18	352.80	0.57	-55.61
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1C	REAL300008210775	0	42	-1.0	-51.40	349.41	7.25	-44.15
CC1=CC2=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C2N=C1	REAL300008210776	0	42	-1.0	-53.84	353.52	7.38	-46.46
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300008210777	0	40	-1.0	-60.86	346.72	6.64	-54.22
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210778	0	38	-1.0	-50.39	337.24	6.04	-44.35
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008210779	0	39	-1.0	-60.41	350.07	0.53	-59.88
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008210780	0	46	-1.0	-52.66	404.04	3.38	-49.28
CN(CCCCC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300008210781	0	42	-1.0	-51.53	361.03	7.05	-44.48
CN(CCCCC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008210782	0	43	-1.0	-49.67	355.10	6.95	-42.72
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC=CN=C12	REAL300008210783	0	42	-1.0	-55.06	352.53	6.98	-48.08
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300008210784	0	42	-1.0	-62.68	356.48	8.75	-53.93
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210785	0	45	-1.0	-52.93	391.48	3.57	-49.36
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008210786	0	46	-1.0	-54.07	382.41	4.89	-49.18
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008210787	0	40	-1.0	-61.66	356.58	3.08	-58.58
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008210788	0	44	-1.0	-53.52	363.86	9.32	-44.20
CC1CC(C)CN(S(=O)(=O)N(C)CCCCC(=O)[O-])C1	REAL300008210789	0	45	-1.0	-49.50	351.45	6.07	-43.43
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008210790	0	40	-1.0	-55.31	337.31	8.03	-47.28
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008210791	0	44	-1.0	-50.75	370.04	8.98	-41.77
CC1=CC=C(F)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210792	0	37	-1.0	-52.61	311.18	6.18	-46.43
CN(C)C1=CC=CC2=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=CC=C12	REAL300008210793	0	48	-1.0	-51.90	386.17	7.51	-44.39
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008210794	0	35	-1.0	-55.77	318.88	4.11	-51.66
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210795	0	38	-1.0	-51.36	337.24	6.04	-45.32
COC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210796	0	38	-1.0	-52.55	325.38	4.87	-47.68
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210797	0	49	-1.0	-48.96	386.30	8.36	-40.60
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Cl	REAL300008210798	0	37	-1.0	-47.63	331.34	6.67	-40.96
CC(C)OC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210799	0	44	-1.0	-50.65	367.88	6.45	-44.20
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NON=C21	REAL300008210800	0	35	-1.0	-57.69	311.35	4.46	-53.23
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008210801	0	39	-1.0	-58.17	355.99	8.35	-49.82
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008210802	0	39	-1.0	-57.26	332.24	6.71	-50.55
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008210803	0	45	-1.0	-52.58	401.36	8.96	-43.62
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210804	0	40	-1.0	-50.65	348.73	6.19	-44.46
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1F	REAL300008210805	0	38	-1.0	-53.74	331.59	4.94	-48.80
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1F	REAL300008210806	0	37	-1.0	-47.79	322.60	6.28	-41.51
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008210807	0	45	-1.0	-49.39	401.27	8.93	-40.46
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C2)C=C1	REAL300008210808	0	49	-1.0	-51.00	414.07	7.71	-43.29
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C(C)C)=C1	REAL300008210809	0	61	-1.0	-47.53	453.06	11.41	-36.12
CC(C)OC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC=CC=C12	REAL300008210810	0	50	-1.0	-54.45	406.09	8.97	-45.48
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008210811	0	37	-1.0	-50.51	351.40	7.29	-43.22
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC=CC=C12	REAL300008210812	0	44	-1.0	-55.00	365.63	7.37	-47.63
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210813	0	39	-1.0	-50.76	333.01	6.79	-43.97
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210814	0	39	-1.0	-53.60	335.11	6.96	-46.64
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210815	0	42	-1.0	-53.34	358.93	8.15	-45.19
CC(C)CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210816	0	46	-1.0	-48.98	377.08	8.25	-40.73
COCCC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210817	0	44	-1.0	-51.37	375.18	6.12	-45.25
COCCN(CCOC)S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210818	0	46	-1.0	-48.62	371.17	2.78	-45.84
CC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210819	0	37	-1.0	-51.93	321.51	6.64	-45.29
COC1=C(C)C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300008210820	0	44	-1.0	-50.70	369.24	6.45	-44.25
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210821	0	50	-1.0	-50.86	410.53	7.93	-42.93
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008210822	0	48	-1.0	-50.20	392.05	7.84	-42.36
CC(C)COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210823	0	47	-1.0	-51.05	391.56	7.33	-43.72
CCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210824	0	44	-1.0	-51.09	371.46	6.63	-44.46
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Cl	REAL300008210825	0	38	-1.0	-52.46	341.39	5.41	-47.05
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008210826	0	38	-1.0	-51.58	351.15	5.69	-45.89
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300008210827	0	41	-1.0	-50.50	345.45	5.61	-44.89
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1OC(C)C	REAL300008210828	0	47	-1.0	-48.95	385.23	7.16	-41.79
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1	REAL300008210829	0	41	-1.0	-51.07	334.32	5.36	-45.71
COCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210830	0	45	-1.0	-53.68	383.59	5.10	-48.58
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300008210831	0	37	-1.0	-54.74	324.79	6.35	-48.39
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210832	0	37	-1.0	-48.70	325.77	6.67	-42.03
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1C	REAL300008210833	0	42	-1.0	-63.34	336.61	8.35	-54.99
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210834	0	43	-1.0	-59.42	365.56	3.58	-55.84
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008210835	0	46	-1.0	-54.85	407.02	3.50	-51.35
CC1=NC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])S1	REAL300008210836	0	36	-1.0	-51.86	324.52	4.14	-47.72
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008210837	0	37	-1.0	-51.31	329.78	6.83	-44.48
COC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1F	REAL300008210838	0	38	-1.0	-49.54	331.61	4.94	-44.60
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008210839	0	44	-1.0	-50.18	370.08	8.98	-41.20
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008210840	0	37	-1.0	-52.23	354.68	7.41	-44.82
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])S2)=CS1	REAL300008210841	0	40	-1.0	-52.26	377.46	6.20	-46.06
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008210842	0	54	-1.0	-50.90	433.19	9.22	-41.68
CNC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CN1C	REAL300008210843	0	42	-1.0	-53.30	360.41	3.21	-50.09
COC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1	REAL300008210844	0	44	-1.0	-48.21	345.60	6.15	-42.06
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008210845	0	45	-1.0	-52.48	382.23	9.76	-42.72
COC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300008210846	0	44	-1.0	-52.30	354.34	6.16	-46.14
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300008210847	0	42	-1.0	-50.70	335.67	6.53	-44.17
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008210848	0	39	-1.0	-56.09	332.50	6.27	-49.82
CCN1C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300008210849	0	39	-1.0	-54.02	341.81	6.18	-47.84
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008210850	0	41	-1.0	-52.37	366.80	6.26	-46.11
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CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300008210856	0	42	-1.0	-56.28	372.18	2.32	-53.96
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300008210857	0	37	-1.0	-51.14	325.89	6.39	-44.75
CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC=CC=C12	REAL300008210858	0	47	-1.0	-54.61	387.48	8.29	-46.32
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210859	0	44	-1.0	-52.98	363.63	7.10	-45.88
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008210860	0	39	-1.0	-59.17	346.29	5.83	-53.34
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008210861	0	41	-1.0	-54.42	358.58	6.75	-47.67
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CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008210870	0	38	-1.0	-51.81	330.27	5.79	-46.02
CSC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210871	0	38	-1.0	-51.33	338.81	6.63	-44.70
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CN(CCCCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008210879	0	40	-1.0	-54.43	370.85	6.41	-48.02
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CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300008210883	0	45	-1.0	-53.37	374.66	6.89	-46.48
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CC1CC2=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C2O1	REAL300008210887	0	42	-1.0	-51.48	355.06	6.25	-45.23
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210888	0	46	-1.0	-48.61	348.86	8.42	-40.19
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CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008210894	0	37	-1.0	-59.59	339.95	4.41	-55.18
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CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008210904	0	36	-1.0	-52.51	330.01	5.13	-47.38
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CC1=CC2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C2C=C1	REAL300008210906	0	43	-1.0	-50.51	363.12	8.49	-42.02
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CN(CCCCC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008210910	0	39	-1.0	-59.37	342.84	5.66	-53.71
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CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008210912	0	40	-1.0	-50.66	357.71	7.62	-43.04
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300008210913	0	46	-1.0	-52.44	372.23	6.20	-46.24
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008210914	0	36	-1.0	-51.23	332.74	4.88	-46.35
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CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210916	0	42	-1.0	-52.33	349.95	7.28	-45.05
CC1=CC=C(C)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300008210917	0	42	-1.0	-59.34	343.77	8.26	-51.08
CC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008210918	0	42	-1.0	-53.16	353.72	7.59	-45.57
COC1=CC=C(CCS(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210919	0	44	-1.0	-52.39	370.49	6.40	-45.99
COC1=CN=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210920	0	37	-1.0	-50.38	320.49	3.03	-47.35
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300008210921	0	43	-1.0	-51.10	371.00	7.29	-43.81
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008210922	0	41	-1.0	-50.78	347.84	7.71	-43.07
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CN(CCCCC(=O)[O-])S(=O)(=O)CCC1CCCCC1	REAL300008210924	0	46	-1.0	-51.28	363.55	7.35	-43.93
CC1=CC2=C(C=C1S(=O)(=O)N(C)CCCCC(=O)[O-])OCO2	REAL300008210925	0	40	-1.0	-50.93	330.68	4.72	-46.21
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008210926	0	37	-1.0	-54.78	322.56	5.96	-48.82
COC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1Cl	REAL300008210927	0	38	-1.0	-49.01	341.41	5.43	-43.58
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300008210928	0	42	-1.0	-54.45	343.22	7.12	-47.33
CCC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1CC	REAL300008210929	0	46	-1.0	-49.50	372.94	8.13	-41.37
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210930	0	42	-1.0	-48.53	344.35	7.51	-41.02
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210931	0	44	-1.0	-52.98	355.54	7.17	-45.81
CC1=C(C)SC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210932	0	37	-1.0	-51.44	330.97	6.03	-45.41
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300008210933	0	35	-1.0	-49.72	318.50	3.50	-46.22
CCC1=NC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])S1	REAL300008210934	0	36	-1.0	-50.28	328.02	4.23	-46.05
CN(C)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=N1	REAL300008210935	0	41	-1.0	-52.95	346.41	5.52	-47.43
CC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])S1	REAL300008210936	0	37	-1.0	-47.82	322.89	6.15	-41.67
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008210937	0	40	-1.0	-57.49	348.32	7.09	-50.40
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008210938	0	37	-1.0	-52.65	323.83	4.28	-48.37
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC(C)=C1F	REAL300008210939	0	40	-1.0	-49.31	345.05	6.99	-42.32
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008210940	0	41	-1.0	-57.69	354.01	5.40	-52.29
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008210941	0	36	-1.0	-55.58	324.90	5.41	-50.17
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008210942	0	37	-1.0	-52.56	337.99	6.91	-45.65
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1Cl	REAL300008210943	0	37	-1.0	-47.97	331.35	6.66	-41.31
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008210944	0	40	-1.0	-52.60	344.00	6.56	-46.04
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C2)=N1	REAL300008210945	0	43	-1.0	-50.20	382.10	7.05	-43.15
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008210946	0	42	-1.0	-52.04	343.94	6.92	-45.12
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008210947	0	41	-1.0	-58.79	363.12	3.50	-55.29
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008210948	0	43	-1.0	-52.56	353.95	6.03	-46.53
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008210949	0	37	-1.0	-50.65	339.36	6.83	-43.82
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210950	0	59	-1.0	-50.92	478.95	10.53	-40.39
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300008210951	0	47	-1.0	-52.83	385.90	7.23	-45.60
COC(CS(=O)(=O)N(C)CCCCC(=O)[O-])C1CCCC1	REAL300008210952	0	47	-1.0	-51.34	374.87	5.99	-45.35
COC(CS(=O)(=O)N(C)CCCCC(=O)[O-])C1CCCCC1	REAL300008210953	0	50	-1.0	-51.80	389.18	6.69	-45.11
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008210954	0	48	-1.0	-54.80	413.34	8.92	-45.88
CCOC(CS(=O)(=O)N(C)CCCCC(=O)[O-])C1CC1	REAL300008210955	0	44	-1.0	-53.10	361.59	5.97	-47.13
CCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(C)C	REAL300008210956	0	53	-1.0	-48.66	427.33	8.62	-40.04
CCC1=NC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CN1CC1CC1	REAL300008210957	0	47	-1.0	-55.23	392.13	7.44	-47.79
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008210958	0	37	-1.0	-50.44	337.75	5.15	-45.29
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008210959	0	42	-1.0	-53.46	353.10	7.64	-45.82
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300008210960	0	41	-1.0	-50.05	340.69	5.42	-44.63
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008210961	0	47	-1.0	-49.48	393.59	7.79	-41.69
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300008210962	0	37	-1.0	-50.34	340.98	4.23	-46.11
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008210963	0	45	-1.0	-49.69	396.51	9.67	-40.02
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008210964	0	44	-1.0	-54.36	357.58	8.78	-45.58
CCC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C(C)C=C1OC	REAL300008210965	0	47	-1.0	-50.63	375.88	6.85	-43.78
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008210966	0	40	-1.0	-49.33	369.82	7.48	-41.85
CN(CCCCC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008210967	0	36	-1.0	-58.23	326.45	4.54	-53.69
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300008210968	0	43	-1.0	-49.85	342.59	8.49	-41.36
CC(C)OC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=N1	REAL300008210969	0	43	-1.0	-49.99	367.18	4.19	-45.80
COC1=C(F)C=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210970	0	38	-1.0	-51.74	328.66	5.72	-46.02
CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(C)C	REAL300008210971	0	50	-1.0	-48.86	405.83	7.82	-41.04
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300008210972	0	46	-1.0	-47.40	374.11	7.82	-39.58
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008210973	0	53	-1.0	-52.68	423.12	10.20	-42.48
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300008210974	0	44	-1.0	-50.62	352.14	5.50	-45.12
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300008210975	0	46	-1.0	-53.57	370.60	6.03	-47.54
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008210976	0	44	-1.0	-50.75	365.44	6.00	-44.75
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300008210977	0	37	-1.0	-48.29	325.34	4.38	-43.91
COC1=CC=C(F)C=C1CS(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210978	0	41	-1.0	-53.40	354.06	5.75	-47.65
C=CCCC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300008210979	0	44	-1.0	-50.94	375.82	8.39	-42.55
CCC1=NN(C)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210980	0	40	-1.0	-56.45	342.81	4.78	-51.67
CCCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(C)C	REAL300008210981	0	56	-1.0	-49.77	448.83	9.40	-40.37
CN(CCCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008210982	0	38	-1.0	-49.91	346.74	7.35	-42.56
CCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(C)(C)C	REAL300008210983	0	56	-1.0	-50.81	442.03	9.36	-41.45
CCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1CC	REAL300008210984	0	50	-1.0	-49.86	410.42	8.08	-41.78
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210985	0	40	-1.0	-46.85	332.85	7.36	-39.49
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210986	0	40	-1.0	-50.05	356.57	7.51	-42.54
CN(CCCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008210987	0	38	-1.0	-51.59	344.25	7.26	-44.33
CCCC1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210988	0	43	-1.0	-52.97	353.04	8.33	-44.64
COC1=NC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210989	0	37	-1.0	-52.28	321.05	2.88	-49.40
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210990	0	50	-1.0	-51.89	412.15	8.42	-43.47
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008210991	0	39	-1.0	-56.97	332.56	6.25	-50.72
CC1=CSC(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300008210992	0	37	-1.0	-46.66	310.12	5.97	-40.69
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008210993	0	41	-1.0	-53.19	347.91	5.32	-47.87
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300008210994	0	41	-1.0	-49.44	343.59	5.47	-43.97
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008210995	0	44	-1.0	-52.32	368.82	6.20	-46.12
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300008210996	0	45	-1.0	-53.78	370.76	3.72	-50.06
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008210997	0	40	-1.0	-51.50	363.28	6.45	-45.05
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300008210998	0	41	-1.0	-48.36	336.25	5.57	-42.79
CCCCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(C)C	REAL300008210999	0	59	-1.0	-48.51	470.33	10.18	-38.33
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300008211000	0	50	-1.0	-52.21	392.50	7.27	-44.94
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC	REAL300008216894	0	36	-1.0	-45.60	309.97	2.16	-43.44
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300008216895	0	43	-1.0	-48.48	360.73	2.33	-46.15
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1C	REAL300008216896	0	43	-1.0	-45.80	372.99	-0.99	-46.79
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008216897	0	50	-1.0	-53.96	361.89	4.17	-49.79
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300008216898	0	40	-1.0	-51.78	336.59	3.71	-48.07
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008216899	0	40	-1.0	-48.90	344.26	3.83	-45.07
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008216900	0	43	-1.0	-44.34	359.66	0.47	-43.87
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300008216901	0	46	-1.0	-45.93	397.06	3.39	-42.54
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300008216902	0	46	-1.0	-60.49	396.48	3.78	-56.71
CCCN1C=NC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300008216903	0	38	-1.0	-51.09	330.42	2.75	-48.34
COCCOCCOCCS(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300008216904	0	46	-1.0	-48.86	388.02	-0.77	-49.63
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC(C)COC1CCCC1	REAL300008216905	0	48	-1.0	-41.03	380.75	3.25	-37.78
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300008216906	0	39	-1.0	-42.61	349.87	2.23	-40.38
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008216907	0	40	-1.0	-45.99	340.39	-0.31	-46.30
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300008216908	0	36	-1.0	-43.00	332.55	1.86	-41.14
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008216909	0	36	-1.0	-45.70	319.45	2.43	-43.27
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300008216910	0	38	-1.0	-43.49	337.21	2.70	-40.79
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300008216911	0	38	-1.0	-51.56	336.39	4.53	-47.03
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300008216912	0	38	-1.0	-55.55	336.36	4.53	-51.02
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300008216913	0	38	-1.0	-41.19	336.11	3.48	-37.71
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)C	REAL300008216914	0	41	-1.0	-57.62	328.22	4.70	-52.92
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCN1CCOCC1	REAL300008216915	0	44	-1.0	-42.53	353.53	-1.08	-43.61
CCOC1=CC=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300008216916	0	39	-1.0	-47.31	333.04	2.19	-45.12
COCCN1C=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=N1	REAL300008216917	0	39	-1.0	-46.60	342.09	-0.44	-47.04
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008216918	0	39	-1.0	-48.67	345.72	2.46	-46.21
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008216919	0	40	-1.0	-43.90	353.58	4.10	-39.80
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008216920	0	37	-1.0	-49.78	322.89	2.26	-47.52
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008216921	0	35	-1.0	-42.24	324.90	3.27	-38.97
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300008216922	0	35	-1.0	-45.94	320.49	3.23	-42.71
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008216923	0	39	-1.0	-59.03	345.99	-0.20	-59.23
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300008216924	0	35	-1.0	-43.11	324.04	3.19	-39.92
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1C	REAL300008216925	0	35	-1.0	-53.02	314.90	4.17	-48.85
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300008216926	0	39	-1.0	-54.43	328.63	2.94	-51.49
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300008216927	0	36	-1.0	-42.41	331.60	1.92	-40.49
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300008216928	0	40	-1.0	-46.97	348.89	1.94	-45.03
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008216929	0	35	-1.0	-43.18	326.27	1.01	-42.17
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008216930	0	35	-1.0	-44.28	320.24	0.84	-43.44
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008216931	0	43	-1.0	-45.91	359.15	3.21	-42.70
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008216932	0	35	-1.0	-44.49	314.87	1.09	-43.40
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300008216933	0	43	-1.0	-52.90	351.75	0.83	-52.07
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1	REAL300008216934	0	44	-1.0	-52.58	385.02	1.14	-51.44
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1SC	REAL300008216935	0	36	-1.0	-59.71	318.33	3.90	-55.81
CCC1=CC=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300008216936	0	38	-1.0	-44.14	324.58	3.39	-40.75
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008216937	0	40	-1.0	-48.12	359.65	-1.28	-49.40
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1	REAL300008216938	0	46	-1.0	-48.93	400.86	-0.28	-49.21
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300008216939	0	43	-1.0	-58.89	357.39	1.79	-57.10
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1F	REAL300008216940	0	43	-1.0	-47.36	381.10	-0.38	-47.74
CCC1=CC=C(CS(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1	REAL300008216941	0	41	-1.0	-44.26	346.19	4.07	-40.19
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CS1	REAL300008216942	0	35	-1.0	-42.65	315.03	2.50	-40.15
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008216943	0	47	-1.0	-48.33	395.44	2.39	-45.94
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008216944	0	44	-1.0	-41.92	367.00	1.78	-40.14
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300008216945	0	41	-1.0	-56.52	363.86	0.38	-56.14
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300008216946	0	42	-1.0	-57.62	364.31	-0.39	-58.01
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C)C(C)=C1	REAL300008216947	0	41	-1.0	-45.36	342.02	3.86	-41.50
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1Br	REAL300008216948	0	39	-1.0	-42.25	353.44	2.85	-39.40
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300008216949	0	46	-1.0	-49.35	389.94	4.99	-44.36
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008216950	0	36	-1.0	-45.32	329.77	2.88	-42.44
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300008216951	0	39	-1.0	-46.09	350.09	2.52	-43.57
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCOC(C)(C)C1	REAL300008216952	0	41	-1.0	-42.67	327.83	0.40	-42.27
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008216953	0	46	-1.0	-46.71	394.31	3.86	-42.85
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300008216954	0	39	-1.0	-45.88	342.79	3.25	-42.63
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300008216955	0	44	-1.0	-46.47	372.40	3.46	-43.01
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300008216956	0	39	-1.0	-49.47	343.40	-3.34	-52.81
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300008216957	0	38	-1.0	-47.43	336.12	3.67	-43.76
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008216958	0	35	-1.0	-42.57	338.02	3.93	-38.64
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300008216959	0	38	-1.0	-44.96	346.72	4.75	-40.21
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008216960	0	35	-1.0	-54.49	336.06	4.69	-49.80
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008216961	0	38	-1.0	-59.34	341.27	5.57	-53.77
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008216962	0	38	-1.0	-43.01	342.73	3.72	-39.29
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008216963	0	43	-1.0	-44.80	361.27	3.28	-41.52
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008216964	0	46	-1.0	-44.88	390.42	5.66	-39.22
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008216965	0	45	-1.0	-50.44	388.24	3.45	-46.99
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008216966	0	43	-1.0	-47.74	379.54	-1.02	-48.76
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300008216967	0	41	-1.0	-44.74	351.85	4.92	-39.82
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300008216968	0	43	-1.0	-44.81	356.60	2.63	-42.18
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300008216969	0	38	-1.0	-43.53	340.99	3.86	-39.67
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008216970	0	37	-1.0	-59.99	319.27	-0.27	-60.26
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCOCC1CCCC1	REAL300008216971	0	45	-1.0	-44.01	364.85	2.40	-41.61
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300008216972	0	39	-1.0	-55.96	342.52	3.53	-52.43
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008216973	0	41	-1.0	-51.41	364.30	0.17	-51.24
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300008216974	0	36	-1.0	-41.94	336.88	3.43	-38.51
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300008216975	0	44	-1.0	-53.65	358.88	2.60	-51.05
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008216976	0	40	-1.0	-45.01	352.88	0.52	-44.49
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C12	REAL300008216977	0	39	-1.0	-48.12	342.96	-0.36	-48.48
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008216978	0	43	-1.0	-46.48	378.30	1.78	-44.70
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008216979	0	37	-1.0	-47.81	326.04	1.06	-46.75
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C(CC)=C1	REAL300008216980	0	50	-1.0	-52.68	382.67	7.59	-45.09
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008216981	0	39	-1.0	-50.06	329.10	1.96	-48.10
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008216982	0	38	-1.0	-41.22	350.33	0.04	-41.18
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008216983	0	41	-1.0	-50.72	337.47	5.88	-44.84
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300008216984	0	39	-1.0	-53.13	332.13	2.93	-50.20
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C)CCCCC1	REAL300008216985	0	44	-1.0	-42.31	329.55	3.44	-38.87
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008216986	0	41	-1.0	-44.53	343.83	3.43	-41.10
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008216988	0	40	-1.0	-47.34	351.26	3.15	-44.19
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300008216989	0	39	-1.0	-42.99	353.13	2.14	-40.85
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C)C=C1F	REAL300008216990	0	38	-1.0	-45.58	330.60	3.36	-42.22
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008216992	0	32	-1.0	-39.13	314.37	2.18	-36.95
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008216993	0	45	-1.0	-43.92	368.86	5.23	-38.69
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008216994	0	43	-1.0	-47.53	361.72	2.68	-44.85
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008216995	0	41	-1.0	-47.80	341.30	-0.95	-48.75
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008216996	0	35	-1.0	-44.39	318.53	2.49	-41.90
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=C(C)N=CS1	REAL300008216997	0	37	-1.0	-44.12	328.78	1.15	-42.97
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300008216998	0	42	-1.0	-42.71	328.46	3.32	-39.39
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CC(F)(F)C1	REAL300008216999	0	35	-1.0	-40.21	304.87	1.87	-38.34
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300008217000	0	44	-1.0	-45.90	363.76	3.65	-42.25
COC1=CC=C(F)C=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231913	0	36	-1.0	-53.55	312.05	4.07	-49.48
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231914	0	43	-1.0	-59.82	374.84	4.25	-55.57
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1C	REAL300008231915	0	43	-1.0	-55.30	376.74	1.17	-54.13
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CC1=NC2=C(S(=O)(=O)NCC3(CC(=O)[O-])CC3)C=CC=C2C=C1	REAL300008231917	0	40	-1.0	-55.02	334.67	5.99	-49.03
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COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231921	0	46	-1.0	-48.58	384.72	5.31	-43.27
CCCN1C=NC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231922	0	38	-1.0	-59.64	330.45	5.07	-54.57
COCCOCCOCCS(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231923	0	46	-1.0	-56.00	392.97	1.50	-54.50
CC(COC1CCCC1)CS(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231924	0	48	-1.0	-54.24	385.06	5.56	-48.68
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231925	0	39	-1.0	-52.07	353.05	4.51	-47.56
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COC1=CC(Br)=CC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231927	0	36	-1.0	-51.79	335.30	4.12	-47.67
O=C([O-])CC1(CNS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CC1	REAL300008231928	0	36	-1.0	-48.72	321.81	4.34	-44.38
COC1=CC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300008231929	0	38	-1.0	-51.07	340.03	4.94	-46.13
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231930	0	38	-1.0	-51.08	338.36	6.10	-44.98
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231931	0	38	-1.0	-55.53	338.36	6.11	-49.42
CC1=CC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300008231932	0	38	-1.0	-49.72	338.93	5.71	-44.01
CC(C)C1=CC=CC=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231933	0	41	-1.0	-54.28	338.12	6.27	-48.01
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CCOC1=CC=CC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231935	0	39	-1.0	-53.19	336.52	4.39	-48.80
COCCN1C=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=N1	REAL300008231936	0	39	-1.0	-51.25	344.25	1.80	-49.45
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CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1C	REAL300008231938	0	59	-1.0	-49.62	472.90	8.78	-40.84
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O=C([O-])CC1(CNS(=O)(=O)CC2=CC=CC(Br)=C2)CC1	REAL300008231941	0	35	-1.0	-56.04	329.59	5.51	-50.53
O=C([O-])CC1(CNS(=O)(=O)CC2=CC=CC=C2Br)CC1	REAL300008231942	0	35	-1.0	-54.65	325.61	5.45	-49.20
O=C([O-])CC1(CNS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CC1	REAL300008231943	0	39	-1.0	-72.02	349.77	2.03	-69.99
CC1=CC(Br)=CC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231944	0	35	-1.0	-49.75	327.21	5.48	-44.27
CC1=C(Br)C=CC=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231945	0	35	-1.0	-51.75	318.16	5.47	-46.28
COCC1=CC=CC=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231946	0	39	-1.0	-52.58	330.99	4.33	-48.25
COC1=CC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=CC=C1Br	REAL300008231947	0	36	-1.0	-50.31	334.43	4.17	-46.14
COC1=CC(OC)=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1Cl	REAL300008231948	0	40	-1.0	-52.27	350.38	3.90	-48.37
O=C([O-])CC1(CNS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CC1	REAL300008231949	0	35	-1.0	-52.91	328.45	3.25	-49.66
O=C([O-])CC1(CNS(=O)(=O)C2=CN(CC(F)F)N=C2)CC1	REAL300008231950	0	35	-1.0	-55.54	323.56	3.05	-52.49
CC1(C)CC2=CC(S(=O)(=O)NCC3(CC(=O)[O-])CC3)=CC=C2O1	REAL300008231951	0	43	-1.0	-52.91	361.93	5.45	-47.46
O=C([O-])CC1(CNS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CC1	REAL300008231952	0	35	-1.0	-60.09	318.34	3.19	-56.90
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231953	0	43	-1.0	-58.50	346.48	2.36	-56.14
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1	REAL300008231954	0	44	-1.0	-57.83	388.84	3.37	-54.46
CSC1=CC=CC=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231955	0	36	-1.0	-55.64	309.42	4.39	-51.25
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1F	REAL300008231956	0	40	-1.0	-56.75	363.80	0.96	-55.79
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1	REAL300008231957	0	46	-1.0	-55.65	404.33	1.95	-53.70
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231958	0	43	-1.0	-70.61	358.83	4.20	-66.41
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1F	REAL300008231959	0	43	-1.0	-55.73	385.27	1.85	-53.88
CCC1=CC=C(CS(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1	REAL300008231960	0	41	-1.0	-55.19	351.14	6.34	-48.85
O=C([O-])CC1(CNS(=O)(=O)CCC2=CC=CS2)CC1	REAL300008231961	0	35	-1.0	-54.09	319.98	4.78	-49.31
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O=C([O-])CC1(CNS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CC1	REAL300008231963	0	44	-1.0	-62.27	348.80	2.84	-59.43
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231964	0	41	-1.0	-63.11	367.35	2.58	-60.53
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231965	0	42	-1.0	-61.06	366.34	1.52	-59.54
CC1=CC=C(CS(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1C	REAL300008231966	0	41	-1.0	-55.72	346.67	6.10	-49.62
CCOC1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1Br	REAL300008231967	0	39	-1.0	-54.16	356.26	5.09	-49.07
COC1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300008231968	0	46	-1.0	-56.03	392.69	7.26	-48.77
O=C([O-])CC1(CNS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CC1	REAL300008231969	0	36	-1.0	-48.70	332.14	4.79	-43.91
COC1=CC=C(Br)C(CS(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231970	0	39	-1.0	-55.93	354.43	4.76	-51.17
CC1(C)CN(S(=O)(=O)NCC2(CC(=O)[O-])CC2)CCO1	REAL300008231971	0	41	-1.0	-51.36	331.34	2.37	-48.99
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCC3(CC(=O)[O-])CC3)C=C2S1	REAL300008231972	0	46	-1.0	-53.21	398.15	6.11	-47.10
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231973	0	39	-1.0	-53.36	345.14	5.19	-48.17
CC(C)N1N=CC2=CC(S(=O)(=O)NCC3(CC(=O)[O-])CC3)=CC=C21	REAL300008231974	0	44	-1.0	-54.02	375.23	5.73	-48.29
CCS(=O)(=O)NCCS(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231975	0	39	-1.0	-58.94	348.35	-1.07	-60.01
CC1=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300008231976	0	38	-1.0	-52.28	340.15	5.29	-46.99
O=C([O-])CC1(CNS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CC1	REAL300008231977	0	35	-1.0	-52.25	340.13	6.13	-46.12
CC1=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C2=CC(Cl)=CC=C2S1	REAL300008231978	0	38	-1.0	-49.74	349.05	6.92	-42.82
O=C([O-])CC1(CNS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CC1	REAL300008231979	0	35	-1.0	-54.77	327.27	5.59	-49.18
O=C([O-])CC1(CNS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CC1	REAL300008231980	0	38	-1.0	-54.98	342.32	7.05	-47.93
O=C([O-])CC1(CNS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CC1	REAL300008231981	0	38	-1.0	-54.79	346.17	5.94	-48.85
O=C([O-])CC1(CNS(=O)(=O)CCC2=CC=C3OCCC3=C2)CC1	REAL300008231982	0	43	-1.0	-55.95	365.65	5.53	-50.42
O=C([O-])CC1(CNS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CC1	REAL300008231983	0	46	-1.0	-47.25	387.38	7.65	-39.60
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1	REAL300008231984	0	45	-1.0	-59.56	392.60	5.73	-53.83
O=C([O-])CC1(CNS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)CC1	REAL300008231985	0	43	-1.0	-58.85	384.49	1.25	-57.60
CC1=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C2=CC=CC(C)=C2S1	REAL300008231986	0	41	-1.0	-51.09	352.39	7.03	-44.06
CC1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1N(C)C	REAL300008231987	0	43	-1.0	-51.50	359.11	4.85	-46.65
O=C([O-])CC1(CNS(=O)(=O)CCC2=CC=CC=C2Br)CC1	REAL300008231988	0	38	-1.0	-55.91	345.84	6.12	-49.79
O=C([O-])CC1(CNS(=O)(=O)C2=C3OCCCN3N=C2)CC1	REAL300008231989	0	37	-1.0	-56.87	318.05	1.09	-55.78
O=C([O-])CC1(CNS(=O)(=O)CCOCC2CCCC2)CC1	REAL300008231990	0	45	-1.0	-52.66	369.23	4.65	-48.01
COC1=CC(C)=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1Cl	REAL300008231991	0	39	-1.0	-56.23	346.08	4.83	-51.40
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCC2(CC(=O)[O-])CC2)=C1	REAL300008231992	0	41	-1.0	-67.78	368.95	2.41	-65.37
CSC1=CC=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C=C1Cl	REAL300008231993	0	36	-1.0	-54.06	339.72	5.67	-48.39
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC1(CC(=O)[O-])CC1	REAL300008231994	0	44	-1.0	-51.31	362.35	4.67	-46.64
O=C([O-])CC1(CNS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CC1	REAL300008231995	0	40	-1.0	-50.16	356.31	2.73	-47.43
CCC1=NOC2=NC=C(S(=O)(=O)NCC3(CC(=O)[O-])CC3)C=C12	REAL300008231996	0	39	-1.0	-54.62	346.40	1.87	-52.75
O=C([O-])CC1(CNS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)CC1	REAL300008231997	0	43	-1.0	-50.67	381.69	3.99	-46.68
CN1N=CC2=CC(S(=O)(=O)NCC3(CC(=O)[O-])CC3)=CN=C21	REAL300008231998	0	37	-1.0	-51.71	328.86	3.32	-48.39
O=C([O-])CC1(CNS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)CC1	REAL300008231999	0	38	-1.0	-52.01	351.70	7.08	-44.93
CCC1=CC(CC)=C(S(=O)(=O)NCC2(CC(=O)[O-])CC2)C(CC)=C1	REAL300008232000	0	50	-1.0	-51.56	384.90	8.77	-42.79
COC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233063	0	33	-1.0	-61.98	293.21	5.02	-56.96
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233064	0	40	-1.0	-52.74	347.41	4.44	-48.30
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300008233065	0	40	-1.0	-58.92	353.71	2.04	-56.88
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008233066	0	47	-1.0	-56.81	350.56	6.56	-50.25
CC1=NC2=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300008233067	0	37	-1.0	-66.48	317.03	6.61	-59.87
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008233068	0	37	-1.0	-64.38	326.30	7.02	-57.36
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008233069	0	40	-1.0	-45.85	332.96	2.56	-43.29
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233070	0	43	-1.0	-50.44	379.30	5.47	-44.97
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233071	0	43	-1.0	-50.98	373.55	5.56	-45.42
CCCN1C=NC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233072	0	35	-1.0	-60.18	309.35	5.85	-54.33
CC(COC1CCCC1)CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233073	0	45	-1.0	-62.91	364.03	6.35	-56.56
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233074	0	36	-1.0	-44.13	323.96	4.43	-39.70
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008233075	0	37	-1.0	-55.30	320.05	2.85	-52.45
COC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233076	0	33	-1.0	-43.48	306.11	4.04	-39.44
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008233077	0	33	-1.0	-58.42	303.15	5.27	-53.15
COC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008233078	0	35	-1.0	-53.33	317.39	5.82	-47.51
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233079	0	35	-1.0	-54.43	307.85	6.62	-47.81
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233080	0	35	-1.0	-46.09	308.01	5.82	-40.27
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300008233081	0	35	-1.0	-53.49	316.28	6.59	-46.90
CC(C)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233082	0	38	-1.0	-60.79	307.73	6.55	-54.24
CCOC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233083	0	36	-1.0	-52.63	310.51	4.45	-48.18
COCCN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300008233084	0	36	-1.0	-48.27	315.59	1.63	-46.64
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008233085	0	36	-1.0	-62.09	326.21	5.62	-56.47
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008233086	0	37	-1.0	-62.14	335.00	7.29	-54.85
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008233087	0	34	-1.0	-47.56	300.35	4.60	-42.96
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008233088	0	32	-1.0	-60.40	306.60	6.46	-53.94
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300008233089	0	32	-1.0	-60.96	303.23	6.31	-54.65
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008233090	0	36	-1.0	-68.94	326.44	2.95	-65.99
CC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233091	0	32	-1.0	-44.78	298.12	5.40	-39.38
CC1=C(Br)C=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233092	0	32	-1.0	-55.08	287.59	6.09	-48.99
COCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233093	0	36	-1.0	-45.50	301.21	4.03	-41.47
COC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1Br	REAL300008233094	0	33	-1.0	-53.99	311.75	5.04	-48.95
COC1=CC(OC)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300008233095	0	37	-1.0	-61.56	332.17	4.83	-56.73
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008233096	0	32	-1.0	-57.58	305.81	4.16	-53.42
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008233097	0	32	-1.0	-47.19	295.00	2.88	-44.31
CC1(C)CC2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=C2O1	REAL300008233098	0	40	-1.0	-56.89	339.26	6.31	-50.58
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008233099	0	32	-1.0	-56.78	299.72	4.08	-52.70
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233100	0	41	-1.0	-60.61	365.52	4.30	-56.31
CSC1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233101	0	33	-1.0	-61.24	290.24	5.81	-55.43
CCC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233102	0	35	-1.0	-58.83	304.75	6.50	-52.33
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1F	REAL300008233103	0	37	-1.0	-58.43	340.79	1.85	-56.58
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233104	0	40	-1.0	-63.08	339.55	3.92	-59.16
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1F	REAL300008233105	0	40	-1.0	-57.34	362.25	2.74	-54.60
CCC1=CC=C(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233106	0	38	-1.0	-63.08	329.40	7.21	-55.87
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1=CC=CS1	REAL300008233107	0	32	-1.0	-60.00	298.20	5.63	-54.37
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008233108	0	44	-1.0	-60.33	375.58	5.51	-54.82
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008233109	0	41	-1.0	-46.69	349.96	3.89	-42.80
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233110	0	38	-1.0	-58.96	337.57	2.54	-56.42
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233111	0	39	-1.0	-70.56	346.01	2.47	-68.09
CC1=CC=C(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300008233112	0	38	-1.0	-62.50	323.71	7.04	-55.46
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Br	REAL300008233113	0	36	-1.0	-54.42	333.59	5.97	-48.45
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300008233114	0	43	-1.0	-57.50	369.99	8.13	-49.37
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008233115	0	33	-1.0	-57.88	313.48	5.72	-52.16
COC1=CC=C(Br)C(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233116	0	36	-1.0	-61.59	331.49	5.70	-55.89
CC1(C)CN(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCO1	REAL300008233117	0	38	-1.0	-55.73	308.00	3.28	-52.45
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2S1	REAL300008233118	0	43	-1.0	-55.80	374.81	7.02	-48.78
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233119	0	36	-1.0	-61.39	326.49	6.14	-55.25
CC(C)N1N=CC2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=C21	REAL300008233120	0	41	-1.0	-58.15	352.56	6.62	-51.53
CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233121	0	36	-1.0	-67.58	325.38	-0.13	-67.71
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008233122	0	35	-1.0	-51.92	314.61	6.18	-45.74
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008233123	0	32	-1.0	-43.11	310.48	6.10	-37.01
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008233124	0	35	-1.0	-49.49	321.95	6.89	-42.60
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008233125	0	32	-1.0	-59.82	310.64	6.71	-53.11
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008233126	0	35	-1.0	-65.64	313.96	7.51	-58.13
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008233127	0	35	-1.0	-59.55	322.88	6.87	-52.68
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008233128	0	40	-1.0	-62.80	343.86	6.38	-56.42
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008233129	0	43	-1.0	-48.89	372.35	7.69	-41.20
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233130	0	42	-1.0	-45.78	361.92	5.66	-40.12
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008233131	0	40	-1.0	-66.68	361.53	2.19	-64.49
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008233132	0	38	-1.0	-59.67	327.96	7.94	-51.73
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1N(C)C	REAL300008233133	0	40	-1.0	-44.32	329.93	4.77	-39.55
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008233134	0	35	-1.0	-61.58	324.02	7.11	-54.47
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008233135	0	34	-1.0	-62.00	297.13	2.06	-59.94
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCOCC1CCCC1	REAL300008233136	0	42	-1.0	-58.40	347.45	5.50	-52.90
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300008233137	0	36	-1.0	-59.99	315.01	5.43	-54.56
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233138	0	38	-1.0	-75.56	346.00	3.35	-72.21
CSC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300008233139	0	33	-1.0	-54.24	317.04	6.55	-47.69
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233140	0	41	-1.0	-45.72	333.92	4.56	-41.16
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008233141	0	37	-1.0	-55.08	332.95	3.63	-51.45
CCC1=NOC2=NC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C12	REAL300008233142	0	36	-1.0	-48.12	316.61	1.72	-46.40
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008233143	0	40	-1.0	-53.87	358.38	4.90	-48.97
CN1N=CC2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CN=C21	REAL300008233144	0	34	-1.0	-50.17	303.48	3.27	-46.90
CCC1=CC(CC)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(CC)=C1	REAL300008233145	0	47	-1.0	-55.52	365.90	9.45	-46.07
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008233146	0	36	-1.0	-50.63	305.32	4.16	-46.47
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008233147	0	35	-1.0	-53.99	330.46	3.15	-50.84
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008233148	0	38	-1.0	-69.19	327.98	8.76	-60.43
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1F	REAL300008233149	0	36	-1.0	-55.03	304.11	4.91	-50.12
CC1(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCCCC1	REAL300008233150	0	41	-1.0	-61.00	311.38	6.61	-54.39
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008233151	0	38	-1.0	-48.63	322.85	5.74	-42.89
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008233153	0	37	-1.0	-54.28	331.28	6.37	-47.91
COCC1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233154	0	36	-1.0	-57.21	333.64	5.30	-51.91
CC1=CC=C(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(F)=C1	REAL300008233155	0	35	-1.0	-61.50	312.02	6.56	-54.94
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008233157	0	29	-1.0	-42.63	291.20	4.47	-38.16
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008233158	0	42	-1.0	-61.56	350.17	8.41	-53.15
CC(C)(C)C1=CC(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=NO1	REAL300008233159	0	40	-1.0	-51.16	341.32	5.03	-46.13
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008233160	0	38	-1.0	-77.13	322.85	2.30	-74.83
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008233161	0	32	-1.0	-50.05	296.83	5.38	-44.67
CC1=C(CCS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])SC=N1	REAL300008233162	0	34	-1.0	-59.64	310.75	4.37	-55.27
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC12CCC(CC1)C2	REAL300008233163	0	39	-1.0	-63.76	311.56	6.41	-57.35
COC1=CC=C2C=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CCC2=C1	REAL300008233164	0	41	-1.0	-46.65	341.63	5.91	-40.74
CC(C)(CCS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300008233165	0	40	-1.0	-67.24	334.78	2.24	-65.00
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1CCCCC1(F)F	REAL300008233166	0	38	-1.0	-58.69	315.67	6.17	-52.52
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008233167	0	36	-1.0	-61.55	312.21	7.25	-54.30
CCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008233168	0	37	-1.0	-53.52	317.74	5.94	-47.58
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008233169	0	29	-1.0	-54.32	278.58	5.59	-48.73
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008233170	0	29	-1.0	-54.14	283.15	5.70	-48.44
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008233171	0	31	-1.0	-52.77	290.07	5.74	-47.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008233172	0	35	-1.0	-50.33	304.97	6.51	-43.82
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008233173	0	31	-1.0	-54.85	290.07	5.74	-49.11
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233174	0	34	-1.0	-64.33	297.82	6.26	-58.07
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233175	0	33	-1.0	-57.51	291.34	4.37	-53.14
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008233176	0	31	-1.0	-77.95	283.24	6.73	-71.22
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233177	0	36	-1.0	-49.02	328.69	5.70	-43.32
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233178	0	36	-1.0	-57.17	313.20	5.30	-51.87
CC1=CC(C)=C(C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1C	REAL300008233179	0	41	-1.0	-45.55	313.56	6.61	-38.94
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300008233180	0	38	-1.0	-46.24	300.25	6.19	-40.05
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233181	0	44	-1.0	-48.23	345.24	7.13	-41.10
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008233182	0	32	-1.0	-48.07	298.21	5.25	-42.82
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008233183	0	32	-1.0	-67.36	291.81	6.11	-61.25
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008233184	0	29	-1.0	-47.06	275.88	4.74	-42.32
CC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233185	0	34	-1.0	-57.15	302.34	5.47	-51.68
CC1=CC=C(C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233186	0	35	-1.0	-47.08	290.34	5.46	-41.62
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300008233187	0	35	-1.0	-58.77	300.27	6.28	-52.49
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300008233188	0	35	-1.0	-59.06	290.19	6.28	-52.78
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008233189	0	35	-1.0	-54.64	310.91	4.87	-49.77
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233190	0	41	-1.0	-45.82	331.59	6.44	-39.38
CC(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233191	0	38	-1.0	-57.24	322.09	7.00	-50.24
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233192	0	40	-1.0	-59.44	359.56	2.76	-56.68
CCCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233193	0	38	-1.0	-57.47	326.26	7.29	-50.18
COC1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233194	0	33	-1.0	-62.29	285.29	4.95	-57.34
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Br	REAL300008233195	0	33	-1.0	-54.82	311.74	5.04	-49.78
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1Br	REAL300008233196	0	32	-1.0	-54.35	301.35	6.26	-48.09
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)=C1	REAL300008233197	0	43	-1.0	-57.49	375.77	8.35	-49.14
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008233198	0	33	-1.0	-53.24	307.84	4.86	-48.38
CC1=C(C)C(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1C	REAL300008233199	0	44	-1.0	-57.31	332.46	7.95	-49.36
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008233200	0	38	-1.0	-55.70	324.69	5.01	-50.69
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233201	0	45	-1.0	-63.34	363.00	7.27	-56.07
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008233202	0	34	-1.0	-39.11	299.62	5.31	-33.80
COC1=CC=C(Br)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233203	0	33	-1.0	-60.98	308.10	5.57	-55.41
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233204	0	47	-1.0	-55.97	361.23	8.70	-47.27
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008233205	0	32	-1.0	-40.87	294.01	5.12	-35.75
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008233206	0	39	-1.0	-48.16	321.85	6.72	-41.44
COC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233207	0	37	-1.0	-65.01	316.27	4.24	-60.77
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1OC	REAL300008233208	0	37	-1.0	-58.36	320.61	4.28	-54.08
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008233209	0	36	-1.0	-57.88	307.38	6.98	-50.90
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008233210	0	37	-1.0	-58.03	316.31	7.47	-50.56
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008233211	0	34	-1.0	-57.12	297.76	4.93	-52.19
CC(C)CCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233212	0	44	-1.0	-57.48	365.32	8.58	-48.90
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1OCC	REAL300008233213	0	43	-1.0	-58.07	364.27	6.12	-51.95
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233214	0	34	-1.0	-60.10	316.04	0.03	-60.07
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1C	REAL300008233215	0	37	-1.0	-63.40	314.76	6.79	-56.61
CC1=CC2=CC=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2N=C1	REAL300008233216	0	37	-1.0	-65.02	319.84	6.64	-58.38
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008233217	0	35	-1.0	-74.54	310.74	5.80	-68.74
COC1=CC(Cl)=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233218	0	33	-1.0	-57.42	302.01	5.47	-51.95
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233219	0	34	-1.0	-55.85	309.53	-0.93	-56.78
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008233220	0	41	-1.0	-55.45	364.30	1.97	-53.48
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233221	0	37	-1.0	-59.96	330.60	6.28	-53.68
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008233222	0	38	-1.0	-57.46	318.56	6.37	-51.09
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300008233223	0	37	-1.0	-59.00	312.33	5.95	-53.05
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300008233224	0	37	-1.0	-54.41	313.47	7.05	-47.36
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233225	0	40	-1.0	-56.34	351.02	2.12	-54.22
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008233226	0	41	-1.0	-69.86	347.81	4.43	-65.43
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233227	0	35	-1.0	-51.02	316.03	1.64	-49.38
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008233228	0	39	-1.0	-60.52	321.41	8.42	-52.10
CC1CC(C)CN(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300008233229	0	40	-1.0	-56.65	312.03	5.46	-51.19
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008233230	0	35	-1.0	-63.32	297.27	7.00	-56.32
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008233231	0	39	-1.0	-47.30	329.46	7.53	-39.77
CC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233232	0	32	-1.0	-60.25	275.89	5.65	-54.60
CN(C)C1=CC=CC2=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=CC=C12	REAL300008233233	0	43	-1.0	-58.34	350.35	7.01	-51.33
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008233234	0	30	-1.0	-59.81	284.05	3.44	-56.37
COC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233235	0	33	-1.0	-61.13	303.54	5.47	-55.66
COC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233236	0	33	-1.0	-52.25	288.65	3.53	-48.72
CCC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233237	0	44	-1.0	-56.97	352.29	7.86	-49.11
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300008233238	0	32	-1.0	-57.59	297.30	6.18	-51.41
CC(C)OC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233239	0	39	-1.0	-56.40	331.12	5.92	-50.48
CCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233240	0	35	-1.0	-46.15	287.28	5.61	-40.54
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300008233241	0	30	-1.0	-56.98	275.73	3.89	-53.09
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008233242	0	34	-1.0	-69.82	320.35	7.53	-62.29
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008233243	0	34	-1.0	-65.82	298.45	6.00	-59.82
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008233244	0	40	-1.0	-48.07	360.85	7.51	-40.56
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233245	0	35	-1.0	-54.76	313.50	5.62	-49.14
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1F	REAL300008233246	0	33	-1.0	-54.93	297.55	4.45	-50.48
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1F	REAL300008233247	0	32	-1.0	-58.19	288.56	5.78	-52.41
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008233248	0	40	-1.0	-55.90	367.27	8.44	-47.46
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300008233249	0	44	-1.0	-57.18	382.13	6.90	-50.28
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C(C)C)=C1	REAL300008233250	0	56	-1.0	-42.54	402.76	9.74	-32.80
CC(C)OC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008233251	0	45	-1.0	-59.10	365.21	8.07	-51.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008233252	0	32	-1.0	-61.47	317.20	6.82	-54.65
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008233253	0	39	-1.0	-59.63	325.16	6.52	-53.11
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233254	0	34	-1.0	-54.08	299.15	6.07	-48.01
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233255	0	34	-1.0	-53.10	291.68	6.12	-46.98
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233256	0	37	-1.0	-49.63	315.46	6.27	-43.36
CC(C)CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233257	0	41	-1.0	-57.66	343.02	7.76	-49.90
COCCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233258	0	39	-1.0	-45.12	331.86	4.63	-40.49
COCCN(CCOC)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233259	0	41	-1.0	-47.17	334.01	2.04	-45.13
CC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233260	0	32	-1.0	-59.24	286.22	6.10	-53.14
COC1=C(C)C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300008233261	0	39	-1.0	-56.23	333.10	5.87	-50.36
CC(C)CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233262	0	45	-1.0	-56.60	373.76	7.40	-49.20
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008233263	0	43	-1.0	-55.98	355.88	7.27	-48.71
CC(C)COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233264	0	42	-1.0	-56.79	354.80	6.79	-50.00
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233265	0	39	-1.0	-56.80	334.70	6.10	-50.70
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Cl	REAL300008233266	0	33	-1.0	-54.80	307.35	4.93	-49.87
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008233267	0	33	-1.0	-55.64	317.10	5.20	-50.44
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300008233268	0	36	-1.0	-57.79	311.41	5.11	-52.68
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300008233269	0	42	-1.0	-57.34	351.21	6.66	-50.68
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300008233270	0	36	-1.0	-58.43	300.38	4.71	-53.72
COCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233271	0	40	-1.0	-59.67	346.83	4.57	-55.10
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC=C1F	REAL300008233272	0	32	-1.0	-63.11	291.84	5.78	-57.33
CC1=CC(Br)=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233273	0	32	-1.0	-55.86	292.21	6.03	-49.83
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1C	REAL300008233274	0	37	-1.0	-78.65	302.27	7.22	-71.43
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233275	0	38	-1.0	-69.42	330.30	3.11	-66.31
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008233276	0	41	-1.0	-59.82	372.97	2.61	-57.21
CC1=NC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300008233277	0	31	-1.0	-54.70	285.96	3.59	-51.11
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008233278	0	32	-1.0	-56.78	293.19	6.27	-50.51
COC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1F	REAL300008233279	0	33	-1.0	-54.52	297.55	4.45	-50.07
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008233280	0	39	-1.0	-53.30	333.35	7.64	-45.66
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008233281	0	32	-1.0	-42.08	316.71	6.04	-36.04
CC1=NC(C2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])S2)=CS1	REAL300008233282	0	35	-1.0	-45.70	334.45	4.73	-40.97
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008233283	0	49	-1.0	-56.72	396.44	8.69	-48.03
CNC(=O)C1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CN1C	REAL300008233284	0	37	-1.0	-59.54	325.74	2.75	-56.79
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300008233285	0	39	-1.0	-55.68	313.78	5.69	-49.99
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008233286	0	40	-1.0	-58.26	346.07	9.19	-49.07
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300008233287	0	39	-1.0	-59.54	319.09	5.61	-53.93
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008233288	0	37	-1.0	-48.26	301.89	5.21	-43.05
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008233289	0	34	-1.0	-59.98	292.11	5.40	-54.58
CCN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008233290	0	34	-1.0	-55.68	307.74	5.69	-49.99
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008233291	0	36	-1.0	-59.01	332.77	5.76	-53.25
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008233292	0	43	-1.0	-58.19	373.10	8.36	-49.83
CCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233293	0	37	-1.0	-61.19	322.23	5.50	-55.69
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008233294	0	39	-1.0	-59.97	347.83	6.67	-53.30
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008233295	0	32	-1.0	-70.68	289.65	4.27	-66.41
CC(C)CCN(CCC(C)C)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233296	0	51	-1.0	-59.05	399.09	7.90	-51.15
CC1=CC=CC(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233297	0	35	-1.0	-62.16	306.69	6.52	-55.64
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233298	0	37	-1.0	-61.62	339.15	1.68	-59.94
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300008233299	0	32	-1.0	-60.73	291.71	5.91	-54.82
CC1=CC=CC=C1CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233300	0	35	-1.0	-61.12	299.57	6.48	-54.64
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008233301	0	42	-1.0	-59.19	347.02	7.44	-51.75
CCOC1=CC=C(C)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233302	0	39	-1.0	-62.56	330.09	6.55	-56.01
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008233303	0	34	-1.0	-73.05	310.14	5.25	-67.80
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008233304	0	36	-1.0	-50.90	316.37	5.13	-45.77
CCOCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233305	0	43	-1.0	-59.67	368.68	5.53	-54.14
CCCCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233306	0	45	-1.0	-56.68	377.69	7.66	-49.02
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008233307	0	39	-1.0	-46.56	306.97	6.50	-40.06
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008233308	0	33	-1.0	-53.33	318.23	6.54	-46.79
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300008233309	0	34	-1.0	-48.45	295.08	3.53	-44.92
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008233310	0	37	-1.0	-69.42	325.19	6.38	-63.04
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008233311	0	34	-1.0	-41.64	303.63	4.30	-37.34
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300008233312	0	39	-1.0	-58.08	322.23	5.63	-52.45
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008233313	0	33	-1.0	-59.67	295.05	5.22	-54.45
CSC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233314	0	33	-1.0	-57.09	302.05	6.09	-51.00
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008233315	0	35	-1.0	-60.76	324.03	6.83	-53.93
CCN(CC1=CC=CC=C1)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233316	0	40	-1.0	-60.88	334.74	6.79	-54.09
CCN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])N=C1C	REAL300008233317	0	35	-1.0	-67.43	307.41	4.88	-62.55
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008233318	0	35	-1.0	-50.21	300.21	3.95	-46.26
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008233319	0	34	-1.0	-58.79	292.33	5.12	-53.67
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008233320	0	41	-1.0	-49.29	351.33	6.18	-43.11
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300008233321	0	35	-1.0	-58.28	316.28	6.60	-51.68
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008233322	0	35	-1.0	-62.43	336.68	5.55	-56.88
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008233323	0	38	-1.0	-56.86	326.71	6.67	-50.19
CC1=NN(C)C2=NC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C12	REAL300008233324	0	37	-1.0	-56.35	328.14	4.81	-51.54
COCC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233325	0	36	-1.0	-60.61	316.94	4.79	-55.82
CC1(C)CC2=CC=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2O1	REAL300008233326	0	40	-1.0	-62.82	336.27	6.38	-56.44
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300008233327	0	32	-1.0	-61.47	299.99	6.20	-55.27
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008233328	0	37	-1.0	-69.61	326.54	5.89	-63.72
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008233329	0	32	-1.0	-60.04	312.25	6.74	-53.30
CC1CC2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=C2O1	REAL300008233330	0	37	-1.0	-47.29	316.08	4.84	-42.45
CCC1=CC=CC(CC)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233331	0	41	-1.0	-57.32	319.70	7.83	-49.49
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233332	0	41	-1.0	-65.49	341.82	3.54	-61.95
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008233333	0	40	-1.0	-56.99	369.01	8.52	-48.47
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008233334	0	35	-1.0	-56.45	328.70	5.72	-50.73
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008233335	0	35	-1.0	-62.17	347.00	6.00	-56.17
CC1=NC(C2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)=CO1	REAL300008233336	0	38	-1.0	-46.97	331.80	3.20	-43.77
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300008233337	0	32	-1.0	-47.26	299.51	2.88	-44.38
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008233338	0	32	-1.0	-53.87	287.30	5.36	-48.51
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008233339	0	32	-1.0	-54.77	287.86	3.73	-51.04
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300008233340	0	32	-1.0	-43.70	286.30	0.91	-42.79
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2CCCN12	REAL300008233341	0	33	-1.0	-60.28	289.85	4.53	-55.75
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008233342	0	37	-1.0	-47.30	309.00	4.75	-42.55
CC1=CC=C(N2C=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=N2)C=C1	REAL300008233343	0	39	-1.0	-55.78	343.82	6.89	-48.89
CC1CC2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300008233344	0	37	-1.0	-54.52	335.44	6.19	-48.33
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008233345	0	34	-1.0	-52.46	308.74	6.38	-46.08
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300008233346	0	40	-1.0	-61.97	349.60	5.85	-56.12
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008233347	0	31	-1.0	-56.36	293.85	4.55	-51.81
CN(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233348	0	37	-1.0	-59.48	314.37	5.50	-53.98
CC1=CC2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2C=C1	REAL300008233349	0	38	-1.0	-58.62	329.10	8.01	-50.61
COC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])SC=C1	REAL300008233350	0	30	-1.0	-65.44	284.00	3.44	-62.00
CN(C)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233351	0	37	-1.0	-58.68	313.36	5.47	-53.21
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008233352	0	34	-1.0	-63.17	295.72	4.94	-58.23
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008233353	0	34	-1.0	-64.63	309.79	5.10	-59.53
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008233354	0	34	-1.0	-51.71	291.18	3.99	-47.72
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008233355	0	35	-1.0	-59.27	323.52	7.14	-52.13
CN1CCCC2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C21	REAL300008233356	0	41	-1.0	-60.42	336.42	5.64	-54.78
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008233357	0	31	-1.0	-39.79	294.62	3.54	-36.25
COC1=CC=CC(OC)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233358	0	37	-1.0	-49.13	306.78	5.05	-44.08
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233359	0	37	-1.0	-52.70	314.08	6.72	-45.98
CC1=CC=C(C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300008233360	0	37	-1.0	-63.34	315.08	8.20	-55.14
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008233361	0	37	-1.0	-64.98	314.61	6.76	-58.22
COC1=CC=C(CCS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233362	0	39	-1.0	-61.01	336.29	5.93	-55.08
COC1=CN=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233363	0	32	-1.0	-55.67	286.45	2.54	-53.13
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300008233364	0	38	-1.0	-47.15	331.62	5.92	-41.23
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008233365	0	36	-1.0	-57.21	311.08	7.18	-50.03
COC1=CC(OC)=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233366	0	37	-1.0	-49.36	314.37	2.73	-46.63
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1CCCCC1	REAL300008233367	0	41	-1.0	-61.09	329.46	6.60	-54.49
CC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])OCO2	REAL300008233368	0	35	-1.0	-59.38	294.77	4.27	-55.11
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008233369	0	32	-1.0	-61.30	286.99	5.39	-55.91
COC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300008233370	0	33	-1.0	-54.26	307.36	4.93	-49.33
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008233371	0	37	-1.0	-58.41	308.46	5.88	-52.53
CCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1CC	REAL300008233372	0	41	-1.0	-46.10	332.31	6.68	-39.42
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233373	0	37	-1.0	-40.93	308.59	6.20	-34.73
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233374	0	39	-1.0	-62.58	321.26	6.50	-56.08
CC1=C(C)SC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233375	0	32	-1.0	-44.73	287.96	4.56	-40.17
NC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233376	0	30	-1.0	-50.90	279.25	2.88	-48.02
CCC1=NC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300008233377	0	31	-1.0	-41.72	285.14	2.77	-38.95
CN(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300008233378	0	36	-1.0	-46.69	307.51	4.09	-42.60
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300008233379	0	32	-1.0	-58.86	294.05	5.50	-53.36
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008233380	0	35	-1.0	-67.00	299.00	6.63	-60.37
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008233381	0	32	-1.0	-58.48	285.31	3.71	-54.77
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300008233382	0	35	-1.0	-42.68	302.46	5.46	-37.22
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008233383	0	36	-1.0	-57.78	315.14	3.98	-53.80
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008233384	0	31	-1.0	-62.76	290.40	4.72	-58.04
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008233385	0	32	-1.0	-61.84	303.24	6.28	-55.56
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300008233386	0	32	-1.0	-54.37	297.31	6.18	-48.19
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008233387	0	35	-1.0	-61.87	309.95	6.06	-55.81
CC1=CSC(C2=CC=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)=N1	REAL300008233388	0	38	-1.0	-48.30	341.52	5.59	-42.71
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008233389	0	37	-1.0	-51.75	309.37	5.55	-46.20
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008233390	0	36	-1.0	-64.64	326.94	2.94	-61.70
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008233391	0	38	-1.0	-57.77	320.17	5.48	-52.29
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008233392	0	32	-1.0	-59.61	305.18	6.36	-53.25
CCC(C)OC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233393	0	42	-1.0	-45.87	349.18	5.90	-39.97
COC(CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCC1	REAL300008233394	0	42	-1.0	-60.88	337.34	5.28	-55.60
COC(CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300008233395	0	45	-1.0	-63.60	354.87	5.73	-57.87
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008233396	0	43	-1.0	-55.59	379.31	8.43	-47.16
CCOC(CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC1	REAL300008233397	0	39	-1.0	-62.31	329.02	5.41	-56.90
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008233398	0	48	-1.0	-45.63	386.46	7.17	-38.46
CCC1=NC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300008233399	0	42	-1.0	-60.48	360.54	7.05	-53.43
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008233400	0	32	-1.0	-44.55	298.27	3.78	-40.77
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008233401	0	37	-1.0	-53.30	317.98	7.14	-46.16
CN1N=CC(C2CC2)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233402	0	36	-1.0	-52.92	307.78	4.92	-48.00
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008233403	0	42	-1.0	-44.77	356.92	6.44	-38.33
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233404	0	32	-1.0	-43.53	297.54	2.73	-40.80
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008233405	0	40	-1.0	-51.85	359.73	8.33	-43.52
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008233406	0	39	-1.0	-64.31	322.02	8.13	-56.18
CCC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C(C)C=C1OC	REAL300008233407	0	42	-1.0	-59.70	340.71	6.36	-53.34
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008233408	0	35	-1.0	-53.49	333.06	6.95	-46.54
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1	REAL300008233409	0	31	-1.0	-68.35	288.95	3.84	-64.51
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008233410	0	38	-1.0	-59.25	312.49	8.12	-51.13
CC(C)OC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300008233411	0	38	-1.0	-44.18	328.29	2.77	-41.41
COC1=C(F)C=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233412	0	33	-1.0	-45.82	291.43	4.39	-41.43
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008233413	0	45	-1.0	-46.02	364.96	6.37	-39.65
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1F	REAL300008233414	0	41	-1.0	-57.36	340.06	7.33	-50.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008233415	0	48	-1.0	-62.94	388.36	9.57	-53.37
CN1N=C2CCCCC2=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233416	0	39	-1.0	-52.88	319.64	5.13	-47.75
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300008233417	0	41	-1.0	-48.25	328.79	4.45	-43.80
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008233418	0	39	-1.0	-43.46	323.57	4.34	-39.12
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233419	0	32	-1.0	-48.79	288.83	3.73	-45.06
COC1=CC=C(F)C=C1CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233420	0	36	-1.0	-63.40	319.87	5.29	-58.11
C=CCCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233421	0	39	-1.0	-58.56	341.16	7.54	-51.02
CCC1=NN(C)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233422	0	35	-1.0	-47.76	300.68	3.05	-44.71
CCCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008233423	0	51	-1.0	-45.42	407.96	7.95	-37.47
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008233424	0	33	-1.0	-56.99	310.49	6.77	-50.22
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300008233425	0	51	-1.0	-45.06	399.34	7.84	-37.22
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1CC	REAL300008233426	0	45	-1.0	-46.23	369.92	6.64	-39.59
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233427	0	35	-1.0	-53.25	304.81	6.72	-46.53
CC1=CC(Br)=CC=C1CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233428	0	35	-1.0	-59.43	322.39	7.03	-52.40
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008233429	0	33	-1.0	-46.47	304.50	5.89	-40.58
CCCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233430	0	38	-1.0	-46.06	308.86	6.33	-39.73
COC1=NC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233431	0	32	-1.0	-58.75	283.08	2.35	-56.40
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233432	0	45	-1.0	-55.87	379.28	7.95	-47.92
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008233433	0	34	-1.0	-66.17	292.40	5.19	-60.98
CC1=CSC(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233434	0	32	-1.0	-53.83	282.00	5.64	-48.19
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008233435	0	36	-1.0	-43.60	305.83	3.71	-39.89
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300008233436	0	36	-1.0	-53.17	308.87	4.98	-48.19
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008233437	0	39	-1.0	-45.69	321.04	4.61	-41.08
CC1(C)COC2=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=NN2C1	REAL300008233438	0	40	-1.0	-61.34	335.15	3.16	-58.18
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008233439	0	35	-1.0	-56.08	328.70	5.99	-50.09
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300008233440	0	36	-1.0	-54.68	303.33	5.18	-49.50
COC1=CC(C(C)C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300008233441	0	45	-1.0	-59.16	357.49	6.62	-52.54
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233442	0	39	-1.0	-50.50	330.37	5.74	-44.76
CC1CC2=CC=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2O1	REAL300008233443	0	37	-1.0	-61.96	315.86	5.75	-56.21
CC(C)(C)C1=NC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300008233444	0	37	-1.0	-55.22	330.54	4.74	-50.48
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008233445	0	35	-1.0	-60.39	314.04	5.45	-54.94
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233446	0	34	-1.0	-66.42	303.06	4.62	-61.80
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008233447	0	38	-1.0	-57.64	308.83	4.91	-52.73
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008233448	0	30	-1.0	-43.23	270.16	2.92	-40.31
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008233449	0	32	-1.0	-47.75	293.71	5.59	-42.16
CN1N=C(C2CC2)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233450	0	36	-1.0	-51.42	312.80	4.81	-46.61
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1F	REAL300008233451	0	38	-1.0	-56.10	310.63	7.07	-49.03
COC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1OC	REAL300008233452	0	37	-1.0	-49.53	314.27	4.12	-45.41
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=COC2=CC=CC=C12	REAL300008233453	0	32	-1.0	-56.81	287.43	5.23	-51.58
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300008233454	0	42	-1.0	-47.87	341.18	4.85	-43.02
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233455	0	41	-1.0	-55.17	340.39	5.65	-49.52
CCCCN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=N1	REAL300008233456	0	41	-1.0	-56.41	344.10	5.68	-50.73
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300008233457	0	36	-1.0	-48.56	311.00	3.88	-44.68
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008233458	0	33	-1.0	-57.46	301.10	4.65	-52.81
CN1N=NC2=C(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=CC=C21	REAL300008233459	0	34	-1.0	-65.17	303.32	3.58	-61.59
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1Br	REAL300008233460	0	35	-1.0	-59.63	309.15	6.77	-52.86
CC1(C)CCCN(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300008233461	0	40	-1.0	-58.21	316.41	5.47	-52.74
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008233462	0	35	-1.0	-55.69	330.08	6.21	-49.48
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300008233463	0	39	-1.0	-56.86	325.27	5.20	-51.66
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233464	0	47	-1.0	-60.05	368.65	8.51	-51.54
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008233465	0	35	-1.0	-58.22	333.07	6.95	-51.27
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008233466	0	39	-1.0	-55.77	335.86	5.74	-50.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008233467	0	33	-1.0	-61.79	301.58	6.19	-55.60
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008233468	0	40	-1.0	-61.02	353.57	7.89	-53.13
COC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008233469	0	38	-1.0	-53.88	318.24	5.75	-48.13
CCCC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233470	0	38	-1.0	-58.84	326.26	7.28	-51.56
CN1N=C2CCCC2=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233471	0	36	-1.0	-54.45	306.90	4.57	-49.88
CC1=CC=CC(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233472	0	35	-1.0	-44.97	280.12	5.54	-39.43
CC(C)(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233473	0	38	-1.0	-53.46	303.71	4.66	-48.80
CC(C)(C)N1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300008233474	0	38	-1.0	-50.02	320.32	3.74	-46.28
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300008233475	0	36	-1.0	-45.75	304.13	3.09	-42.66
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300008233476	0	34	-1.0	-40.35	310.11	4.06	-36.29
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008233477	0	32	-1.0	-39.90	300.55	5.19	-34.71
CC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1C	REAL300008233478	0	35	-1.0	-59.69	287.25	6.13	-53.56
CCCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233479	0	40	-1.0	-61.04	343.73	6.26	-54.78
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008233480	0	40	-1.0	-48.23	327.15	7.21	-41.02
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008233481	0	35	-1.0	-56.04	324.27	6.11	-49.93
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008233482	0	35	-1.0	-56.53	305.46	5.37	-51.16
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008233483	0	29	-1.0	-45.32	278.70	4.42	-40.90
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008233484	0	36	-1.0	-46.94	304.56	6.21	-40.73
COC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=CS1	REAL300008233485	0	30	-1.0	-60.31	280.71	3.60	-56.71
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008233486	0	39	-1.0	-57.01	327.85	5.62	-51.39
CCC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233487	0	38	-1.0	-52.41	321.07	4.92	-47.49
CN(C1CCCCCC1)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233488	0	43	-1.0	-58.50	331.97	5.99	-52.51
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300008233489	0	43	-1.0	-59.74	354.11	3.92	-55.82
CC(F)(F)C1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233490	0	35	-1.0	-59.02	315.08	6.60	-52.42
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008233491	0	33	-1.0	-50.16	298.40	3.81	-46.35
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008233492	0	44	-1.0	-57.43	359.01	7.55	-49.88
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300008233493	0	30	-1.0	-55.47	285.63	3.54	-51.93
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300008233494	0	40	-1.0	-70.36	328.12	7.15	-63.21
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008233495	0	37	-1.0	-56.57	319.03	5.00	-51.57
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300008233496	0	32	-1.0	-47.47	288.60	2.72	-44.75
CCOCC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233497	0	39	-1.0	-60.71	338.79	5.76	-54.95
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233498	0	39	-1.0	-50.83	339.20	5.42	-45.41
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008233499	0	42	-1.0	-43.85	342.29	4.98	-38.87
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008233500	0	40	-1.0	-46.39	345.81	7.05	-39.34
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1CF	REAL300008233501	0	32	-1.0	-57.21	271.99	5.55	-51.66
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300008233502	0	35	-1.0	-43.12	313.12	5.86	-37.26
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008233503	0	38	-1.0	-61.47	314.55	7.70	-53.77
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008233504	0	39	-1.0	-57.36	333.70	6.25	-51.11
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008233505	0	33	-1.0	-48.17	299.32	5.60	-42.57
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008233506	0	33	-1.0	-56.94	315.05	6.86	-50.08
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008233507	0	33	-1.0	-47.72	314.20	6.15	-41.57
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300008233508	0	34	-1.0	-67.72	304.73	-0.92	-68.64
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008233509	0	32	-1.0	-46.60	282.11	4.71	-41.89
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300008233510	0	35	-1.0	-63.47	294.31	5.54	-57.93
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008233511	0	31	-1.0	-60.72	292.81	4.47	-56.25
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CCOC1CCOC1	REAL300008233512	0	37	-1.0	-47.61	314.16	1.53	-46.08
CC1=NC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008233513	0	38	-1.0	-47.24	327.52	3.21	-44.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008233514	0	46	-1.0	-64.18	339.82	7.86	-56.32
CC1(C)COC(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300008233515	0	39	-1.0	-63.51	321.96	4.38	-59.13
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300008233516	0	32	-1.0	-68.98	291.65	0.83	-68.15
CC(C)(CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C(C)(F)F	REAL300008233517	0	37	-1.0	-58.69	301.81	5.45	-53.24
CS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233518	0	37	-1.0	-69.51	332.02	1.94	-67.57
CC1(C)CCC(CS(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])OC1	REAL300008233519	0	42	-1.0	-62.45	336.26	5.26	-57.19
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008233520	0	39	-1.0	-60.30	332.18	7.42	-52.88
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008233521	0	33	-1.0	-69.24	310.68	4.09	-65.15
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008233522	0	39	-1.0	-65.04	343.48	7.99	-57.05
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008233523	0	38	-1.0	-66.87	314.26	2.50	-64.37
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008233524	0	42	-1.0	-62.21	330.30	7.03	-55.18
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008233525	0	33	-1.0	-44.75	298.77	5.50	-39.25
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=C21	REAL300008233526	0	51	-1.0	-47.24	384.93	8.29	-38.95
COC1=CC=C(C=C(C)S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233527	0	40	-1.0	-58.32	338.33	6.15	-52.17
COC1=CSC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1OC	REAL300008233528	0	34	-1.0	-62.83	316.52	3.04	-59.79
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008233529	0	41	-1.0	-57.69	323.75	5.24	-52.45
CN(CCC1=CC=CC=C1)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233530	0	40	-1.0	-57.09	339.11	6.80	-50.29
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008233531	0	33	-1.0	-46.95	306.04	5.18	-41.77
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(F)=C1	REAL300008233532	0	33	-1.0	-60.12	299.82	4.64	-55.48
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008233533	0	33	-1.0	-59.95	307.31	4.72	-55.23
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233534	0	35	-1.0	-47.15	297.33	3.90	-43.25
CN1C=CC2=CC(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=C21	REAL300008233535	0	36	-1.0	-52.67	309.05	5.89	-46.78
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008233536	0	38	-1.0	-43.61	334.20	4.61	-39.00
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233537	0	42	-1.0	-58.49	354.43	7.49	-51.00
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008233538	0	40	-1.0	-54.44	347.84	7.08	-47.36
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233539	0	35	-1.0	-62.86	290.92	6.83	-56.03
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008233540	0	30	-1.0	-56.42	302.04	3.71	-52.71
C=C(C)COC1=CC=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233541	0	40	-1.0	-53.87	342.49	5.84	-48.03
CCN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300008233542	0	39	-1.0	-48.81	332.59	4.75	-44.06
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300008233543	0	33	-1.0	-59.93	293.34	4.11	-55.82
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008233544	0	35	-1.0	-56.62	324.45	7.86	-48.76
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008233545	0	39	-1.0	-45.24	346.29	8.05	-37.19
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008233546	0	28	-1.0	-50.21	284.51	2.70	-47.51
CCC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=C1Br	REAL300008233547	0	35	-1.0	-42.43	314.43	5.99	-36.44
CC1=NN(C2CCCC2)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233548	0	42	-1.0	-54.03	350.57	5.98	-48.05
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300008233549	0	26	-1.0	-54.42	270.68	4.60	-49.82
COCCC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233550	0	43	-1.0	-63.60	361.89	5.45	-58.15
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008233551	0	35	-1.0	-57.71	314.10	7.66	-50.05
CN1N=C2CCOCC2=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233552	0	37	-1.0	-48.34	303.96	1.73	-46.61
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008233553	0	36	-1.0	-47.33	297.53	6.04	-41.29
CC1(C)CCN(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300008233554	0	40	-1.0	-56.82	315.93	4.98	-51.84
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008233555	0	44	-1.0	-57.85	363.73	5.45	-52.40
COC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233556	0	32	-1.0	-55.31	299.86	2.83	-52.48
COC1=NC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1C	REAL300008233557	0	35	-1.0	-44.43	306.49	1.64	-42.79
CC(C)CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=N1	REAL300008233558	0	38	-1.0	-49.03	318.86	4.17	-44.86
CC1=NN(C(C)C)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233559	0	38	-1.0	-57.24	321.93	4.34	-52.90
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008233560	0	39	-1.0	-57.46	318.49	2.35	-55.11
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008233561	0	34	-1.0	-57.58	307.61	7.04	-50.54
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])N=C1	REAL300008233562	0	40	-1.0	-58.02	336.40	5.34	-52.68
CC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233563	0	35	-1.0	-44.83	297.55	3.38	-41.45
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300008233564	0	36	-1.0	-46.26	306.43	4.47	-41.79
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008233565	0	36	-1.0	-46.08	308.24	5.39	-40.69
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008233566	0	31	-1.0	-59.41	294.07	3.97	-55.44
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300008233567	0	34	-1.0	-51.89	289.09	4.47	-47.42
CC1=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300008233568	0	38	-1.0	-61.70	320.84	4.77	-56.93
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300008233569	0	43	-1.0	-46.38	364.17	7.67	-38.71
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008233570	0	34	-1.0	-65.71	301.38	5.32	-60.39
CC1=CN=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C)=C1	REAL300008233571	0	34	-1.0	-49.39	292.02	4.02	-45.37
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CC=C(Br)CC1	REAL300008233572	0	32	-1.0	-40.95	288.44	4.06	-36.89
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233573	0	37	-1.0	-66.65	319.22	0.90	-65.75
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300008233574	0	36	-1.0	-56.20	284.20	2.73	-53.47
N#CC1CCN(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300008233575	0	35	-1.0	-63.15	301.37	4.40	-58.75
COC1=CC=NC(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233576	0	32	-1.0	-60.88	289.59	2.38	-58.50
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C(F)F)=C1	REAL300008233577	0	36	-1.0	-59.70	303.63	5.60	-54.10
COC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])N=C1	REAL300008233578	0	32	-1.0	-58.41	289.43	2.33	-56.08
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233579	0	35	-1.0	-55.33	321.99	3.29	-52.04
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008233580	0	34	-1.0	-56.80	292.50	5.25	-51.55
CCOC1=CC=CN=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300008233581	0	35	-1.0	-48.43	298.58	3.75	-44.68
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300008233582	0	37	-1.0	-66.27	314.79	6.62	-59.65
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300008233583	0	33	-1.0	-59.31	291.23	4.90	-54.41
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCC(F)(F)C1	REAL300008233584	0	31	-1.0	-54.87	278.70	3.55	-51.32
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008233585	0	31	-1.0	-65.04	292.02	4.13	-60.91
O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300008233586	0	36	-1.0	-56.53	329.81	5.89	-50.64
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300008233587	0	42	-1.0	-51.09	345.40	6.32	-44.77
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300008233588	0	37	-1.0	-57.20	337.05	0.17	-57.03
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300008233589	0	37	-1.0	-58.87	336.66	0.18	-58.69
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233590	0	40	-1.0	-65.90	343.47	0.70	-65.20
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233591	0	41	-1.0	-61.10	360.31	0.06	-61.04
CC1=CC=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)C=C1C(=O)[O-]	REAL300008233592	0	40	-1.0	-60.99	352.46	0.71	-60.28
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=C(C(=O)[O-])SC=C2)C1	REAL300008233593	0	34	-1.0	-53.91	315.12	-0.43	-54.34
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300008233594	0	37	-1.0	-58.87	336.66	0.18	-58.69
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300008233595	0	37	-1.0	-57.20	337.05	0.17	-57.03
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1	REAL300008233596	0	37	-1.0	-70.90	323.34	1.31	-69.59
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CNC(C(=O)[O-])=C2)C1	REAL300008233597	0	35	-1.0	-60.14	325.22	-2.09	-62.23
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C1	REAL300008233598	0	37	-1.0	-59.21	340.68	-1.68	-60.89
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300008233599	0	34	-1.0	-54.13	328.37	-0.68	-54.81
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300008233600	0	34	-1.0	-56.40	312.19	-2.77	-59.17
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300008233601	0	42	-1.0	-55.84	352.03	-0.67	-56.51
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300008233602	0	42	-1.0	-52.48	355.20	-0.62	-53.10
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=CC=C2C(=O)[O-])C1	REAL300008233603	0	37	-1.0	-70.90	323.34	1.31	-69.59
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C1	REAL300008233604	0	37	-1.0	-62.32	343.35	1.75	-60.57
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300008233605	0	34	-1.0	-64.37	321.46	-1.46	-65.83
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)O1	REAL300008233606	0	37	-1.0	-56.63	340.75	-0.90	-57.53
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1	REAL300008233607	0	36	-1.0	-60.71	322.22	-1.16	-61.87
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)N2CCCC2C(=O)[O-])C1	REAL300008233608	0	39	-1.0	-63.75	337.43	-0.82	-64.57
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300008233609	0	40	-1.0	-64.32	360.19	0.92	-63.40
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300008233610	0	42	-1.0	-52.48	355.20	-0.62	-53.10
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300008233611	0	40	-1.0	-67.11	360.89	0.89	-66.22
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300008233612	0	34	-1.0	-64.37	321.46	-1.46	-65.83
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300008233613	0	41	-1.0	-56.92	368.13	0.44	-56.48
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1	REAL300008233614	0	36	-1.0	-60.71	322.22	-1.16	-61.87
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300008233615	0	34	-1.0	-58.99	329.88	-0.80	-59.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)=C1C	REAL300008233616	0	43	-1.0	-70.49	358.02	1.34	-69.15
CC1=CC=CC(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)=C1C(=O)[O-]	REAL300008233617	0	40	-1.0	-75.06	349.04	1.27	-73.79
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)=C1	REAL300008233618	0	44	-1.0	-62.06	391.18	-0.11	-62.17
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300008233619	0	34	-1.0	-59.76	328.10	-0.78	-60.54
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233620	0	40	-1.0	-53.54	338.02	0.53	-53.01
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300008233621	0	40	-1.0	-57.62	359.22	0.94	-56.68
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CO2)C1	REAL300008233622	0	34	-1.0	-59.99	321.71	-1.72	-61.71
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300008233623	0	40	-1.0	-58.11	358.83	0.95	-57.16
CC1=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)C=C(C(=O)[O-])O1	REAL300008233624	0	37	-1.0	-60.20	334.15	-0.84	-61.04
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C1	REAL300008233625	0	36	-1.0	-55.52	331.65	-1.63	-57.15
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CSN=C2C(=O)[O-])C1	REAL300008233626	0	33	-1.0	-57.93	309.61	-2.00	-59.93
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=C(C(=O)[O-])N=CS2)C1	REAL300008233627	0	33	-1.0	-73.22	317.52	-2.10	-75.32
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=CN=C2C(=O)[O-])C1	REAL300008233628	0	36	-1.0	-78.48	325.21	-0.37	-78.85
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)CCCCCC(=O)[O-])C1	REAL300008233629	0	42	-1.0	-62.01	365.76	0.36	-61.65
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C1	REAL300008233630	0	36	-1.0	-57.73	331.98	-1.60	-59.33
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300008233631	0	37	-1.0	-55.22	352.85	0.69	-54.53
COC1=CC=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)C=C1C(=O)[O-]	REAL300008233632	0	41	-1.0	-73.45	364.00	0.23	-73.22
CC1=CC(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)=CC=C1C(=O)[O-]	REAL300008233633	0	40	-1.0	-55.51	352.02	0.72	-54.79
CN(CCC(=O)[O-])S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233634	0	38	-1.0	-54.11	335.89	-1.62	-55.73
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)C1	REAL300008233635	0	42	-1.0	-59.42	363.61	0.28	-59.14
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)=C1	REAL300008233636	0	44	-1.0	-62.06	391.18	-0.11	-62.17
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300008233637	0	37	-1.0	-55.22	352.85	0.69	-54.53
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233638	0	37	-1.0	-64.39	329.99	0.37	-64.02
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233639	0	40	-1.0	-61.55	358.58	1.08	-60.47
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300008233640	0	40	-1.0	-64.32	360.19	0.92	-63.40
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233641	0	41	-1.0	-61.10	360.31	0.06	-61.04
CC1=CC=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)C=C1C(=O)[O-]	REAL300008233642	0	40	-1.0	-60.99	352.46	0.71	-60.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233643	0	40	-1.0	-65.90	343.47	0.70	-65.20
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233644	0	41	-1.0	-55.34	365.07	0.32	-55.02
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1	REAL300008233645	0	40	-1.0	-53.29	347.14	0.08	-53.21
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300008233646	0	40	-1.0	-58.11	358.83	0.95	-57.16
COC1=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)SC(C(=O)[O-])=C1	REAL300008233647	0	38	-1.0	-53.14	356.70	-0.60	-53.74
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C1	REAL300008233648	0	42	-1.0	-58.46	373.90	0.83	-57.63
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C1	REAL300008233649	0	44	-1.0	-62.67	383.17	2.05	-60.62
CCC1=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)C=C(C(=O)[O-])O1	REAL300008233650	0	40	-1.0	-56.59	362.04	0.12	-56.47
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C1	REAL300008233651	0	39	-1.0	-63.43	351.83	2.12	-61.31
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C1	REAL300008233652	0	39	-1.0	-56.33	356.60	2.03	-54.30
CC1=NC=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)C=C1C(=O)[O-]	REAL300008233653	0	39	-1.0	-52.97	347.93	-1.11	-54.08
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233654	0	41	-1.0	-57.00	360.74	0.05	-56.95
COC1=CC(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)=CC=C1C(=O)[O-]	REAL300008233655	0	41	-1.0	-62.37	363.92	0.27	-62.10
COC1=CC=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)C(CC(=O)[O-])=C1	REAL300008233656	0	44	-1.0	-70.31	381.07	0.73	-69.58
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C1	REAL300008233657	0	40	-1.0	-58.03	364.28	1.00	-57.03
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)C=C1	REAL300008233658	0	46	-1.0	-59.81	391.97	1.84	-57.97
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233659	0	37	-1.0	-55.51	330.33	-1.33	-56.84
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300008233660	0	43	-1.0	-64.17	366.70	2.05	-62.12
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)=C1	REAL300008233661	0	37	-1.0	-65.57	339.43	-0.87	-66.44
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300008233662	0	37	-1.0	-59.57	348.95	0.57	-59.00
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=C(C(=O)[O-])C=CO2)C1	REAL300008233663	0	34	-1.0	-68.70	317.46	-1.38	-70.08
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1	REAL300008233664	0	37	-1.0	-54.65	319.25	-0.41	-55.06
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)=C1	REAL300008233665	0	41	-1.0	-66.78	356.01	0.55	-66.23
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300008233666	0	34	-1.0	-56.40	312.19	-2.77	-59.17
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233667	0	37	-1.0	-55.51	330.33	-1.33	-56.84
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233669	0	44	-1.0	-64.55	379.59	0.30	-64.25
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300008233670	0	36	-1.0	-58.53	333.69	-1.74	-60.27
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C1	REAL300008233671	0	40	-1.0	-63.82	350.09	1.33	-62.49
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1	REAL300008233672	0	34	-1.0	-52.99	335.78	-1.14	-54.13
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300008233673	0	43	-1.0	-62.23	366.31	2.05	-60.18
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233674	0	44	-1.0	-60.61	381.57	0.95	-59.66
COC1=CC=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)C(C(=O)[O-])=C1	REAL300008233675	0	41	-1.0	-71.03	353.06	0.76	-70.27
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C1	REAL300008233676	0	36	-1.0	-63.35	332.77	-1.60	-64.95
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1	REAL300008233677	0	34	-1.0	-53.02	320.70	-3.58	-56.60
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1	REAL300008233678	0	37	-1.0	-60.69	337.66	-2.06	-62.75
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C1	REAL300008233679	0	43	-1.0	-60.28	382.38	2.44	-57.84
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300008233680	0	37	-1.0	-59.64	327.77	-0.69	-60.33
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300008233681	0	40	-1.0	-60.75	340.28	-0.25	-61.00
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)S1	REAL300008233682	0	37	-1.0	-58.91	347.97	-0.10	-59.01
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C1	REAL300008233683	0	43	-1.0	-72.88	369.30	3.72	-69.16
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1	REAL300008233684	0	40	-1.0	-66.13	343.47	1.14	-64.99
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C1	REAL300008233685	0	40	-1.0	-78.05	364.62	-1.23	-79.28
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C1	REAL300008233686	0	40	-1.0	-51.92	362.74	1.44	-50.48
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C1	REAL300008233687	0	37	-1.0	-61.20	333.09	-0.47	-61.67
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300008233688	0	42	-1.0	-54.96	340.69	-0.09	-55.05
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=NNC(C(=O)[O-])=C2)C1	REAL300008233689	0	34	-1.0	-53.02	320.70	-3.58	-56.60
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300008233690	0	39	-1.0	-66.22	338.07	-0.83	-67.05
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=NNC=C2C(=O)[O-])C1	REAL300008233691	0	34	-1.0	-56.40	312.19	-2.77	-59.17
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C1	REAL300008233692	0	34	-1.0	-46.58	332.47	0.17	-46.41
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	REAL300008233693	0	37	-1.0	-65.16	317.10	-0.10	-65.26
CC1=CC(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)=CN=C1C(=O)[O-]	REAL300008233694	0	39	-1.0	-62.72	349.09	-1.08	-63.80
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C1	REAL300008233695	0	40	-1.0	-66.13	343.47	1.14	-64.99
CCOC1=CC=C(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)C=C1C(=O)[O-]	REAL300008233696	0	44	-1.0	-73.95	385.85	1.13	-72.82
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C1	REAL300008233697	0	44	-1.0	-59.45	381.79	2.05	-57.40
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CN=CC=C2C(=O)[O-])C1	REAL300008233698	0	36	-1.0	-66.80	321.81	-0.60	-67.40
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)C1	REAL300008233699	0	42	-1.0	-63.31	377.75	0.57	-62.74
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCSCC2)C=C1	REAL300008233700	0	36	-1.0	-47.49	308.00	4.81	-42.68
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233701	0	36	-1.0	-54.51	305.68	4.68	-49.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233702	0	39	-1.0	-56.83	324.63	5.72	-51.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233703	0	40	-1.0	-55.19	336.87	4.61	-50.58
CC1=CC=C(S(=O)(=O)NC2CCCSCC2)C=C1C(=O)[O-]	REAL300008233704	0	39	-1.0	-53.66	321.68	5.20	-48.46
O=C([O-])C1=C(S(=O)(=O)NC2CCCSCC2)C=CS1	REAL300008233705	0	33	-1.0	-45.09	291.46	4.60	-40.49
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233706	0	36	-1.0	-54.51	305.68	4.68	-49.83
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCSCC2)C=C1	REAL300008233707	0	36	-1.0	-47.49	308.00	4.81	-42.68
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCCSCC1	REAL300008233708	0	36	-1.0	-49.14	294.44	5.49	-43.65
O=C([O-])C1=CC(S(=O)(=O)NC2CCCSCC2)=CN1	REAL300008233709	0	34	-1.0	-51.53	294.22	2.36	-49.17
O=C([O-])CN1C=C(S(=O)(=O)NC2CCCSCC2)C=N1	REAL300008233710	0	36	-1.0	-51.16	310.21	2.76	-48.40
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCSCC2)S1	REAL300008233711	0	33	-1.0	-49.14	297.92	3.85	-45.29
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCSCC1	REAL300008233712	0	33	-1.0	-50.79	278.13	1.47	-49.32
O=C([O-])C1CCCN(S(=O)(=O)NC2CCCSCC2)C1	REAL300008233713	0	41	-1.0	-47.33	320.23	3.74	-43.59
O=C([O-])C1CCN(S(=O)(=O)NC2CCCSCC2)CC1	REAL300008233714	0	41	-1.0	-51.02	326.37	4.15	-46.87
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCCSCC1	REAL300008233715	0	36	-1.0	-49.14	294.44	5.49	-43.65
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233716	0	36	-1.0	-42.98	311.08	6.01	-36.97
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCSCC2)O1	REAL300008233717	0	33	-1.0	-54.34	296.20	3.24	-51.10
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCCSCC2)O1	REAL300008233718	0	36	-1.0	-50.56	309.29	3.55	-47.01
O=C([O-])C1CCCN1S(=O)(=O)NC1CCCSCC1	REAL300008233719	0	38	-1.0	-58.46	303.02	4.12	-54.34
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCCSCC2)C=C1	REAL300008233720	0	39	-1.0	-57.87	328.09	5.37	-52.50
O=C([O-])C1CCN(S(=O)(=O)NC2CCCSCC2)CC1	REAL300008233721	0	41	-1.0	-51.02	326.37	4.15	-46.87
O=C([O-])C1=CC=CC(CS(=O)(=O)NC2CCCSCC2)=C1	REAL300008233722	0	39	-1.0	-58.79	330.36	5.56	-53.23
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCSCC2)O1	REAL300008233723	0	33	-1.0	-54.34	296.20	3.24	-51.10
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CCCSCC2)C=C1	REAL300008233724	0	40	-1.0	-47.43	339.11	5.08	-42.35
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233725	0	40	-1.0	-46.49	344.19	5.63	-40.86
O=C([O-])C1=CSC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233726	0	33	-1.0	-50.35	298.92	3.74	-46.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCCSCC2)=C1C	REAL300008233727	0	42	-1.0	-58.24	336.84	6.06	-52.18
CC1=CC=CC(S(=O)(=O)NC2CCCSCC2)=C1C(=O)[O-]	REAL300008233728	0	39	-1.0	-52.97	321.89	5.68	-47.29
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233729	0	43	-1.0	-52.82	363.11	4.52	-48.30
O=C([O-])C1=CC(S(=O)(=O)NC2CCCSCC2)=CS1	REAL300008233730	0	33	-1.0	-49.59	299.98	3.84	-45.75
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233731	0	39	-1.0	-41.46	332.95	6.48	-34.98
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CCCSCC1	REAL300008233732	0	39	-1.0	-49.75	314.60	5.41	-44.34
O=C([O-])C1=C(S(=O)(=O)NC2CCCSCC2)C2=CC=CC=C2S1	REAL300008233733	0	39	-1.0	-51.33	335.59	7.19	-44.14
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCCSCC2)C=C1	REAL300008233734	0	39	-1.0	-49.43	327.94	5.46	-43.97
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCCSCC2)C=C1[N+](=O)[O-]	REAL300008233735	0	41	-1.0	-41.43	346.28	5.84	-35.59
O=C([O-])C1=COC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233736	0	33	-1.0	-50.13	291.30	2.83	-47.30
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233737	0	39	-1.0	-52.09	327.86	5.45	-46.64
CC1=C(S(=O)(=O)NC2CCCSCC2)C=C(C(=O)[O-])O1	REAL300008233738	0	36	-1.0	-54.07	311.96	3.95	-50.12
O=C([O-])C1=CN=CC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233739	0	35	-1.0	-48.89	300.83	2.87	-46.02
O=C([O-])C1=NSC=C1S(=O)(=O)NC1CCCSCC1	REAL300008233740	0	32	-1.0	-48.94	286.09	3.08	-45.86
O=C([O-])C1=C(S(=O)(=O)NC2CCCSCC2)SC=N1	REAL300008233741	0	32	-1.0	-64.40	287.48	2.45	-61.95
O=C([O-])C1=NC=CC=C1S(=O)(=O)NC1CCCSCC1	REAL300008233742	0	35	-1.0	-53.02	291.40	3.67	-49.35
O=C([O-])CCCCCS(=O)(=O)NC1CCCSCC1	REAL300008233743	0	41	-1.0	-53.46	333.32	4.83	-48.63
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCSCC2)C=N1	REAL300008233744	0	35	-1.0	-52.44	301.53	2.86	-49.58
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233745	0	36	-1.0	-46.29	324.76	5.31	-40.98
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233746	0	36	-1.0	-46.32	329.33	5.41	-40.91
COC1=CC=C(S(=O)(=O)NC2CCCSCC2)C=C1C(=O)[O-]	REAL300008233747	0	40	-1.0	-58.96	332.95	4.73	-54.23
CC1=CC(S(=O)(=O)NC2CCCSCC2)=CC=C1C(=O)[O-]	REAL300008233748	0	39	-1.0	-49.38	321.67	5.21	-44.17
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NC3CCCSCC3)C=CC=C12	REAL300008233749	0	41	-1.0	-52.14	341.19	5.22	-46.92
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233750	0	43	-1.0	-52.82	363.11	4.52	-48.30
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233751	0	36	-1.0	-46.29	324.76	5.31	-40.98
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1CCCSCC1	REAL300008233752	0	36	-1.0	-50.79	302.01	4.97	-45.82
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233753	0	39	-1.0	-51.25	338.64	6.16	-45.09
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC3CCCSCC3)C=C21	REAL300008233754	0	42	-1.0	-53.03	352.61	6.01	-47.02
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCCSCC2)C=C1	REAL300008233755	0	39	-1.0	-57.87	328.09	5.37	-52.50
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233756	0	40	-1.0	-55.19	336.87	4.61	-50.58
CC1=CC=C(S(=O)(=O)NC2CCCSCC2)C=C1C(=O)[O-]	REAL300008233757	0	39	-1.0	-53.66	321.68	5.20	-48.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233758	0	39	-1.0	-56.83	324.63	5.72	-51.11
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233759	0	40	-1.0	-47.11	339.53	4.70	-42.41
O=C([O-])CC1(CS(=O)(=O)NC2CCCSCC2)CC1	REAL300008233760	0	39	-1.0	-55.05	313.03	4.44	-50.61
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233761	0	39	-1.0	-52.09	327.86	5.45	-46.64
COC1=C(S(=O)(=O)NC2CCCSCC2)SC(C(=O)[O-])=C1	REAL300008233762	0	37	-1.0	-47.67	325.60	3.45	-44.22
O=C([O-])C1CC2=CC(S(=O)(=O)NC3CCCSCC3)=CC=C2O1	REAL300008233763	0	41	-1.0	-51.20	342.50	5.34	-45.86
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCSCC2)C=C1C(F)(F)F	REAL300008233764	0	39	-1.0	-49.30	335.79	5.48	-43.82
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3CCCSCC3)C=C2)CC1	REAL300008233765	0	43	-1.0	-52.12	354.17	6.68	-45.44
CCC1=C(S(=O)(=O)NC2CCCSCC2)C=C(C(=O)[O-])O1	REAL300008233766	0	39	-1.0	-54.22	329.32	4.59	-49.63
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1CCCSCC1	REAL300008233767	0	38	-1.0	-43.92	322.50	6.15	-37.77
O=C([O-])C1=CC2=CC(S(=O)(=O)NC3CCCSCC3)=CC=C2S1	REAL300008233768	0	39	-1.0	-52.27	343.54	6.17	-46.10
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233769	0	38	-1.0	-38.52	322.53	6.15	-32.37
CC1=NC=C(S(=O)(=O)NC2CCCSCC2)C=C1C(=O)[O-]	REAL300008233770	0	38	-1.0	-47.14	317.14	3.37	-43.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CCCSCC1	REAL300008233771	0	40	-1.0	-49.82	333.59	4.50	-45.32
COC1=CC(S(=O)(=O)NC2CCCSCC2)=CC=C1C(=O)[O-]	REAL300008233772	0	40	-1.0	-55.37	332.94	4.74	-50.63
COC1=CC=C(S(=O)(=O)NC2CCCSCC2)C(CC(=O)[O-])=C1	REAL300008233773	0	43	-1.0	-56.93	346.86	5.13	-51.80
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCCSCC2)C=C1F	REAL300008233774	0	39	-1.0	-51.36	333.29	5.51	-45.85
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233775	0	39	-1.0	-45.13	347.08	5.81	-39.32
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NC2CCCSCC2)C=C1	REAL300008233776	0	45	-1.0	-49.56	362.95	6.48	-43.08
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCCSCC1	REAL300008233777	0	36	-1.0	-51.13	296.35	2.90	-48.23
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NC3CCCSCC3)C=CC=C12	REAL300008233778	0	42	-1.0	-52.00	341.70	6.85	-45.15
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233779	0	36	-1.0	-52.31	309.02	3.68	-48.63
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233780	0	36	-1.0	-42.87	315.64	6.10	-36.77
O=C([O-])C1=CC(S(=O)(=O)NC2CCCSCC2)=CC=C1Cl	REAL300008233781	0	36	-1.0	-52.52	318.18	5.06	-47.46
O=C([O-])C1=C(S(=O)(=O)NC2CCCSCC2)OC=C1	REAL300008233782	0	33	-1.0	-59.91	289.90	3.24	-56.67
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233783	0	40	-1.0	-47.43	323.73	4.80	-42.63
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCSCC1	REAL300008233784	0	33	-1.0	-50.79	278.13	1.47	-49.32
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NC1CCCSCC1	REAL300008233785	0	36	-1.0	-51.13	296.35	2.90	-48.23
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233787	0	43	-1.0	-55.20	351.33	4.79	-50.41
O=C([O-])C1=CC=NC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233788	0	35	-1.0	-52.33	306.50	2.93	-49.40
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NC1CCCSCC1	REAL300008233789	0	39	-1.0	-55.89	317.76	5.78	-50.11
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233790	0	33	-1.0	-47.36	305.96	3.37	-43.99
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCSCC2)C2=CC=CC=C12	REAL300008233791	0	42	-1.0	-51.20	344.33	7.06	-44.14
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233792	0	43	-1.0	-55.30	355.25	5.37	-49.93
COC1=CC=C(S(=O)(=O)NC2CCCSCC2)C(C(=O)[O-])=C1	REAL300008233793	0	40	-1.0	-50.08	323.72	4.78	-45.30
O=C([O-])C1=CC(S(=O)(=O)NC2CCCSCC2)=CC=N1	REAL300008233794	0	35	-1.0	-56.94	301.76	2.91	-54.03
O=C([O-])C1=CC(S(=O)(=O)NC2CCCSCC2)=NN1	REAL300008233795	0	33	-1.0	-45.61	294.93	1.11	-44.50
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233796	0	36	-1.0	-55.72	301.52	2.26	-53.46
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NC3CCCSCC3)C=C2C=C1	REAL300008233797	0	42	-1.0	-53.37	351.57	6.93	-46.44
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC2CCCSCC2)C1	REAL300008233798	0	39	-1.0	-55.29	308.44	4.18	-51.11
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCCSCC2)S1	REAL300008233799	0	36	-1.0	-50.12	315.85	4.41	-45.71
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC1CCCSCC1	REAL300008233800	0	42	-1.0	-51.85	339.63	7.75	-44.10
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC2CCCSCC2)=C1	REAL300008233801	0	39	-1.0	-46.69	331.22	6.32	-40.37
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCCSCC1	REAL300008233802	0	39	-1.0	-56.05	317.53	5.81	-50.24
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NC1CCCSCC1)=C2	REAL300008233803	0	36	-1.0	-49.74	335.48	5.28	-44.46
O=C([O-])C1=NC(S(=O)(=O)NC2CCCSCC2)=C2C=CC=CN12	REAL300008233804	0	39	-1.0	-70.93	337.80	3.49	-67.44
O=C([O-])C1=CN2C=NC(S(=O)(=O)NC3CCCSCC3)=C2C=C1	REAL300008233805	0	39	-1.0	-45.86	337.73	5.97	-39.89
O=C([O-])C1CCCCN1S(=O)(=O)NC1CCCSCC1	REAL300008233806	0	41	-1.0	-49.42	308.81	4.64	-44.78
O=C([O-])C1=CC(S(=O)(=O)NC2CCCSCC2)=NN1	REAL300008233807	0	33	-1.0	-45.61	294.93	1.11	-44.50
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CCCSCC1	REAL300008233808	0	38	-1.0	-44.26	299.09	3.33	-40.93
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCCSCC1	REAL300008233809	0	33	-1.0	-50.79	278.13	1.47	-49.32
O=C([O-])C1=C(S(=O)(=O)NC2CCCSCC2)C=C(Cl)S1	REAL300008233810	0	33	-1.0	-40.21	308.19	5.23	-34.98
CC1=CC(S(=O)(=O)NC2CCCSCC2)=CN=C1C(=O)[O-]	REAL300008233811	0	38	-1.0	-52.58	318.28	3.40	-49.18
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCCSCC1	REAL300008233812	0	39	-1.0	-56.05	317.53	5.81	-50.24
CCOC1=CC=C(S(=O)(=O)NC2CCCSCC2)C=C1C(=O)[O-]	REAL300008233813	0	43	-1.0	-60.54	354.82	5.65	-54.89
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3CCCSCC3)C=C2C1	REAL300008233814	0	43	-1.0	-51.89	354.45	6.69	-45.20
O=C([O-])C1=CC=NC=C1S(=O)(=O)NC1CCCSCC1	REAL300008233815	0	35	-1.0	-42.98	295.00	3.88	-39.10
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NC3CCCSCC3)C=C2C=C1	REAL300008233816	0	41	-1.0	-56.66	347.43	5.06	-51.60
COC1=CC=CC(C(NS(=O)(=O)CCCC(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300008233817	0	45	-1.0	-54.24	400.96	7.21	-47.03
COC1=CC=CC(C(NS(=O)(=O)CCCC(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300008233818	0	45	-1.0	-54.24	400.96	7.21	-47.03
O=C([O-])CCCS(=O)(=O)NC(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL300008233819	0	41	-1.0	-54.06	377.84	7.99	-46.07
O=C([O-])CCCS(=O)(=O)NC(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL300008233820	0	41	-1.0	-54.06	377.84	7.99	-46.07
O=C([O-])C1(S(=O)(=O)NC(C2=CC=C(F)C=C2)C2=CC=C(Cl)C=C2)CCC1	REAL300008233821	0	42	-1.0	-42.71	361.46	8.00	-34.71
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC(C2=CC=C(F)C=C2)C2=CC=C(Cl)C=C2)C1	REAL300008233822	0	42	-1.0	-52.25	373.65	8.14	-44.11
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL300008233823	0	42	-1.0	-54.93	387.97	8.71	-46.22
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL300008233824	0	42	-1.0	-55.56	371.12	9.09	-46.47
O=C([O-])CCCS(=O)(=O)NC(C1=CC=C(F)C=C1)C1=CC=CC(Cl)=C1	REAL300008233825	0	41	-1.0	-52.33	377.34	8.00	-44.33
O=C([O-])CCCS(=O)(=O)NC(C1=CC=C(F)C=C1)C1=CC=CC(Cl)=C1	REAL300008233826	0	41	-1.0	-52.33	377.34	8.00	-44.33
O=C([O-])C1(S(=O)(=O)NC(C2=CC=C(F)C=C2)C2=CC=CC(Cl)=C2)CCC1	REAL300008233827	0	42	-1.0	-45.40	374.41	8.51	-36.89
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC(C2=CC=C(F)C=C2)C2=CC=CC(Cl)=C2)C1	REAL300008233828	0	42	-1.0	-54.65	380.48	8.45	-46.20
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC(C1=CC=C(F)C=C1)C1=CC=CC(Cl)=C1	REAL300008233829	0	42	-1.0	-55.70	388.76	8.72	-46.98
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC(C1=CC=C(F)C=C1)C1=CC=CC(Cl)=C1	REAL300008233830	0	42	-1.0	-59.85	372.21	9.08	-50.77
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300008233831	0	39	-1.0	-63.16	325.13	5.80	-57.36
CCC(C)C1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1	REAL300008233832	0	46	-1.0	-52.21	354.30	7.72	-44.49
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)S1	REAL300008233833	0	31	-1.0	-42.35	289.89	4.92	-37.43
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300008233834	0	41	-1.0	-48.27	327.01	5.91	-42.36
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300008233835	0	37	-1.0	-56.34	308.46	6.31	-50.03
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300008233836	0	38	-1.0	-45.47	319.88	5.67	-39.80
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300008233837	0	40	-1.0	-57.67	336.31	2.65	-55.02
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300008233838	0	38	-1.0	-53.70	317.39	5.69	-48.01
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300008233839	0	45	-1.0	-46.73	347.46	4.97	-41.76
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300008233840	0	37	-1.0	-40.92	305.88	6.29	-34.63
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300008233841	0	40	-1.0	-45.96	315.73	4.36	-41.60
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008233842	0	50	-1.0	-51.80	377.18	8.88	-42.92
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300008233843	0	40	-1.0	-53.77	319.80	4.22	-49.55
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1Br	REAL300008233844	0	34	-1.0	-43.73	291.87	5.77	-37.96
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(Br)=C1	REAL300008233845	0	34	-1.0	-55.04	305.97	6.09	-48.95
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300008233846	0	39	-1.0	-83.22	298.93	7.13	-76.09
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300008233847	0	40	-1.0	-57.65	341.05	7.31	-50.34
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300008233848	0	44	-1.0	-70.12	355.49	2.60	-67.52
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300008233849	0	45	-1.0	-52.35	358.03	6.95	-45.40
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300008233850	0	37	-1.0	-50.36	302.87	5.91	-44.45
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300008233851	0	40	-1.0	-47.51	327.10	5.92	-41.59
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(COC)C=C1	REAL300008233852	0	41	-1.0	-53.35	330.67	4.86	-48.49
CCOC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=N1	REAL300008233853	0	40	-1.0	-51.68	328.11	2.90	-48.78
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300008233854	0	43	-1.0	-65.48	360.44	3.28	-62.20
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCCS(C)(=O)=O	REAL300008233855	0	39	-1.0	-49.43	327.00	1.50	-47.93
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300008233856	0	44	-1.0	-45.00	334.82	5.77	-39.23
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300008233857	0	39	-1.0	-47.29	333.98	5.91	-41.38
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300008233858	0	37	-1.0	-41.54	325.38	6.68	-34.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008233859	0	39	-1.0	-57.44	312.32	6.26	-51.18
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300008233860	0	43	-1.0	-51.01	349.07	6.56	-44.45
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300008233861	0	43	-1.0	-48.97	338.32	5.27	-43.70
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300008233862	0	40	-1.0	-55.00	323.84	4.37	-50.63
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300008233863	0	43	-1.0	-52.74	346.08	6.68	-46.06
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300008233864	0	40	-1.0	-54.13	326.35	5.69	-48.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300008233865	0	40	-1.0	-51.41	319.69	4.30	-47.11
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300008233866	0	46	-1.0	-45.44	332.32	8.06	-37.38
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300008233867	0	42	-1.0	-55.39	347.73	4.77	-50.62
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300008233868	0	42	-1.0	-46.33	344.78	5.46	-40.87
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300008233869	0	37	-1.0	-51.98	315.11	6.31	-45.67
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(F)=C1C	REAL300008233870	0	37	-1.0	-42.85	297.47	5.97	-36.88
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300008233871	0	40	-1.0	-44.71	333.91	8.15	-36.56
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008233872	0	39	-1.0	-34.95	333.01	7.37	-27.58
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300008233873	0	38	-1.0	-50.85	320.98	4.76	-46.09
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300008233874	0	41	-1.0	-47.37	342.64	6.91	-40.46
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300008233875	0	49	-1.0	-45.57	371.80	6.35	-39.22
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008233876	0	37	-1.0	-51.59	307.61	5.94	-45.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300008233877	0	45	-1.0	-48.60	360.50	5.02	-43.58
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300008233880	0	38	-1.0	-46.14	311.83	5.37	-40.77
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300008233881	0	45	-1.0	-50.39	364.94	5.56	-44.83
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300008233882	0	45	-1.0	-54.51	364.79	2.14	-52.37
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300008233883	0	42	-1.0	-70.49	340.33	6.93	-63.56
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008233884	0	42	-1.0	-64.18	349.38	7.44	-56.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008233885	0	45	-1.0	-53.57	356.24	3.82	-49.75
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300008233886	0	48	-1.0	-47.63	398.59	6.55	-41.08
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300008233887	0	48	-1.0	-47.99	394.10	6.64	-41.35
CCCN1C=NC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300008233888	0	40	-1.0	-64.85	321.68	7.17	-57.68
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC(C)COC1CCCC1	REAL300008233889	0	50	-1.0	-40.55	378.84	6.83	-33.72
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300008233890	0	41	-1.0	-50.23	343.14	5.37	-44.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008233891	0	42	-1.0	-46.38	338.95	3.05	-43.33
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300008233892	0	38	-1.0	-52.18	329.88	5.20	-46.98
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008233893	0	38	-1.0	-45.34	321.06	5.57	-39.77
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300008233894	0	40	-1.0	-48.75	330.82	5.80	-42.95
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300008233895	0	40	-1.0	-40.91	327.47	6.70	-34.21
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300008233896	0	40	-1.0	-56.84	326.11	6.63	-50.21
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300008233897	0	40	-1.0	-48.83	330.05	6.64	-42.19
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300008233898	0	43	-1.0	-45.28	331.44	7.42	-37.86
CCOC1=CC=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300008233899	0	41	-1.0	-58.04	336.03	5.69	-52.35
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(CCOC)N=C1	REAL300008233900	0	41	-1.0	-52.89	338.84	2.90	-49.99
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008233901	0	41	-1.0	-56.76	339.87	5.66	-51.10
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008233902	0	42	-1.0	-58.12	347.77	7.27	-50.85
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008233903	0	39	-1.0	-58.08	312.50	6.17	-51.91
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008233904	0	37	-1.0	-46.20	320.91	6.49	-39.71
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=CC=C1Br	REAL300008233905	0	37	-1.0	-46.26	320.87	6.61	-39.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008233906	0	41	-1.0	-75.60	334.99	3.77	-71.83
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300008233907	0	37	-1.0	-50.27	317.76	6.46	-43.81
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300008233908	0	37	-1.0	-42.53	309.76	6.39	-36.14
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1COC	REAL300008233909	0	41	-1.0	-43.42	325.61	5.38	-38.04
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300008233910	0	38	-1.0	-49.25	325.44	5.08	-44.17
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300008233911	0	42	-1.0	-46.77	351.20	5.15	-41.62
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008233912	0	37	-1.0	-61.36	328.38	4.46	-56.90
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008233913	0	37	-1.0	-58.91	323.50	4.24	-54.67
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008233914	0	45	-1.0	-58.01	361.89	6.62	-51.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008233915	0	37	-1.0	-46.61	317.55	4.50	-42.11
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1	REAL300008233916	0	46	-1.0	-55.82	379.09	4.29	-51.53
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1SC	REAL300008233917	0	38	-1.0	-47.00	311.21	6.05	-40.95
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008233918	0	42	-1.0	-55.30	354.29	1.85	-53.45
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300008233919	0	45	-1.0	-58.55	363.07	5.17	-53.38
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300008233920	0	45	-1.0	-54.18	375.77	2.74	-51.44
CCC1=CC=C(CS(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1	REAL300008233921	0	43	-1.0	-44.18	346.97	7.50	-36.68
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=CS1	REAL300008233922	0	37	-1.0	-59.00	318.83	6.09	-52.91
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008233923	0	49	-1.0	-54.50	389.04	5.50	-49.00
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008233924	0	46	-1.0	-47.47	371.00	5.10	-42.37
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300008233925	0	43	-1.0	-61.36	365.49	3.89	-57.47
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300008233926	0	44	-1.0	-50.89	366.29	2.77	-48.12
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=C(C)C(C)=C1	REAL300008233927	0	43	-1.0	-47.47	338.03	7.08	-40.39
CCOC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1Br	REAL300008233928	0	41	-1.0	-50.51	347.27	6.01	-44.50
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300008233929	0	48	-1.0	-48.60	386.57	8.52	-40.08
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008233930	0	38	-1.0	-45.16	331.39	6.02	-39.14
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300008233931	0	41	-1.0	-61.76	353.28	5.88	-55.88
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008233932	0	48	-1.0	-50.88	388.05	7.12	-43.76
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300008233933	0	41	-1.0	-46.51	344.59	6.45	-40.06
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300008233934	0	46	-1.0	-58.96	375.15	6.92	-52.04
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCNS(=O)(=O)CC	REAL300008233935	0	41	-1.0	-45.84	341.88	0.22	-45.62
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300008233936	0	40	-1.0	-56.18	323.22	7.44	-48.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008233937	0	37	-1.0	-51.45	334.73	7.22	-44.23
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300008233938	0	40	-1.0	-42.98	345.57	8.24	-34.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008233939	0	37	-1.0	-60.06	330.65	7.00	-53.06
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008233940	0	40	-1.0	-49.17	331.12	7.64	-41.53
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008233941	0	40	-1.0	-54.74	336.63	6.92	-47.82
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008233942	0	45	-1.0	-61.64	364.50	6.84	-54.80
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008233943	0	48	-1.0	-63.66	394.35	8.81	-54.85
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008233944	0	47	-1.0	-57.45	382.17	6.65	-50.80
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008233945	0	45	-1.0	-62.90	371.54	3.17	-59.73
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300008233946	0	43	-1.0	-49.74	342.16	7.91	-41.83
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300008233947	0	45	-1.0	-51.94	349.93	5.72	-46.22
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008233948	0	40	-1.0	-56.55	340.51	7.25	-49.30
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008233949	0	39	-1.0	-53.79	307.23	2.83	-50.96
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCOCC1CCCC1	REAL300008233950	0	47	-1.0	-42.52	362.76	5.93	-36.59
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300008233951	0	41	-1.0	-43.40	337.07	5.70	-37.70
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008233952	0	43	-1.0	-74.59	355.98	4.33	-70.26
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300008233953	0	38	-1.0	-50.11	330.50	6.53	-43.58
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC)C(CC)C(=O)[O-]	REAL300008233954	0	46	-1.0	-49.26	351.52	5.80	-43.46
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008233955	0	42	-1.0	-52.47	355.59	3.95	-48.52
CCC1=NOC2=NC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C12	REAL300008233956	0	41	-1.0	-51.11	331.58	3.53	-47.58
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008233957	0	45	-1.0	-47.30	377.45	5.13	-42.17
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008233958	0	39	-1.0	-53.82	323.45	4.41	-49.41
CCC1=CC(CC)=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C(CC)=C1	REAL300008233959	0	52	-1.0	-42.74	367.80	9.23	-33.51
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008233960	0	41	-1.0	-51.40	327.18	5.43	-45.97
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008233961	0	40	-1.0	-54.56	353.04	3.46	-51.10
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008233962	0	43	-1.0	-52.14	342.95	9.03	-43.11
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300008233963	0	41	-1.0	-44.97	322.73	5.11	-39.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1(C)CCCCC1	REAL300008233964	0	46	-1.0	-42.65	330.16	6.82	-35.83
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008233965	0	43	-1.0	-45.76	341.48	6.70	-39.06
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008233967	0	42	-1.0	-51.30	348.53	6.57	-44.73
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300008233968	0	41	-1.0	-52.76	350.88	5.51	-47.25
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300008233969	0	40	-1.0	-47.72	331.32	6.85	-40.87
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008233971	0	34	-1.0	-41.60	314.11	5.63	-35.97
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008233972	0	47	-1.0	-59.22	367.81	8.60	-50.62
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008233973	0	45	-1.0	-46.69	362.61	6.14	-40.55
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008233974	0	43	-1.0	-47.71	341.46	2.51	-45.20
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008233975	0	37	-1.0	-50.05	313.82	5.69	-44.36
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=C(C)N=CS1	REAL300008233976	0	39	-1.0	-43.86	329.11	4.56	-39.30
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC12CCC(CC1)C2	REAL300008233977	0	44	-1.0	-61.40	316.21	7.54	-53.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300008233978	0	46	-1.0	-53.16	355.44	6.66	-46.50
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008233979	0	45	-1.0	-52.19	351.26	2.58	-49.61
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1CCCCC1(F)F	REAL300008233980	0	43	-1.0	-47.93	328.26	6.34	-41.59
CCC(C(=O)[O-])N(CC)S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008233981	0	41	-1.0	-61.32	334.78	7.81	-53.51
CCC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008233982	0	42	-1.0	-51.45	337.37	6.93	-44.52
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008233983	0	34	-1.0	-49.51	291.95	5.58	-43.93
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008233984	0	34	-1.0	-49.33	296.50	5.68	-43.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008233985	0	36	-1.0	-48.34	303.83	5.80	-42.54
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008233986	0	40	-1.0	-46.70	324.32	7.74	-38.96
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008233987	0	36	-1.0	-55.06	312.90	6.14	-48.92
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300008233988	0	39	-1.0	-43.49	316.64	6.48	-37.01
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C=C1	REAL300008233989	0	38	-1.0	-52.44	305.00	4.41	-48.03
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008233990	0	36	-1.0	-47.79	297.15	7.00	-40.79
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC)C(CC)C(=O)[O-]	REAL300008233991	0	41	-1.0	-46.27	348.08	6.72	-39.55
CCOC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1	REAL300008233992	0	41	-1.0	-51.79	326.96	5.35	-46.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300008233993	0	46	-1.0	-57.09	336.72	7.68	-49.41
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300008233994	0	43	-1.0	-57.25	326.29	7.36	-49.89
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300008233995	0	49	-1.0	-45.43	364.33	8.07	-37.36
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008233996	0	37	-1.0	-50.65	314.30	6.08	-44.57
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008233997	0	37	-1.0	-43.65	305.23	6.65	-37.00
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008233998	0	34	-1.0	-55.20	301.41	5.98	-49.22
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300008233999	0	39	-1.0	-54.93	315.96	5.50	-49.43
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300008234000	0	40	-1.0	-56.50	331.12	5.86	-50.64
COC1=CC=C(F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250418	0	36	-1.0	-54.55	314.91	3.69	-50.86
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250419	0	43	-1.0	-56.73	370.41	3.91	-52.82
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300008250420	0	43	-1.0	-53.64	368.95	1.15	-52.49
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300008250421	0	50	-1.0	-49.51	363.02	5.83	-43.68
CC1=NC2=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=CC=C2C=C1	REAL300008250422	0	40	-1.0	-56.70	342.08	5.08	-51.62
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300008250423	0	40	-1.0	-64.51	345.18	5.74	-58.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300008250424	0	43	-1.0	-49.98	357.35	2.40	-47.58
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250425	0	46	-1.0	-53.93	402.70	4.91	-49.02
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250426	0	46	-1.0	-55.20	397.52	5.09	-50.11
CCCN1C=NC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250427	0	38	-1.0	-56.73	324.22	4.96	-51.77
COCCOCCOCCS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250428	0	46	-1.0	-56.23	389.55	1.15	-55.08
CC(COC1CCCC1)CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250429	0	48	-1.0	-51.04	381.07	5.22	-45.82
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250430	0	39	-1.0	-50.39	348.42	4.16	-46.23
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300008250431	0	40	-1.0	-53.71	338.23	1.62	-52.09
COC1=CC(Br)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250432	0	36	-1.0	-51.17	330.99	3.78	-47.39
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300008250433	0	36	-1.0	-53.02	325.09	3.92	-49.10
COC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300008250434	0	38	-1.0	-48.05	332.39	4.95	-43.10
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250435	0	38	-1.0	-50.62	334.78	5.69	-44.93
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250436	0	38	-1.0	-54.32	334.06	5.76	-48.56
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300008250437	0	38	-1.0	-49.05	334.63	5.37	-43.68
CC(C)C1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250438	0	41	-1.0	-52.44	331.82	5.84	-46.60
CC1(C(=O)[O-])CC(NS(=O)(=O)CCCN2CCOCC2)C1	REAL300008250439	0	44	-1.0	-51.58	353.94	0.83	-50.75
CCOC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250440	0	39	-1.0	-50.42	331.56	4.08	-46.34
COCCN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300008250441	0	39	-1.0	-54.78	339.95	1.48	-53.30
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300008250442	0	39	-1.0	-52.72	344.54	4.40	-48.32
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1C	REAL300008250443	0	59	-1.0	-47.84	463.14	8.27	-39.57
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300008250444	0	40	-1.0	-54.21	353.73	6.03	-48.18
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300008250445	0	37	-1.0	-57.16	321.37	4.23	-52.93
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300008250446	0	35	-1.0	-51.33	320.77	5.48	-45.85
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300008250447	0	35	-1.0	-50.85	320.72	5.13	-45.72
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300008250448	0	39	-1.0	-59.64	344.82	1.73	-57.91
CC1=CC(Br)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250449	0	35	-1.0	-52.07	322.91	5.14	-46.93
CC1=C(Br)C=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250450	0	35	-1.0	-49.58	312.86	5.26	-44.32
COCC1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250451	0	39	-1.0	-51.48	326.97	3.95	-47.53
COC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300008250452	0	36	-1.0	-49.78	330.12	3.83	-45.95
COC1=CC(OC)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300008250453	0	40	-1.0	-55.24	353.98	3.50	-51.74
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300008250454	0	35	-1.0	-51.40	324.15	2.92	-48.48
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300008250455	0	35	-1.0	-51.51	319.27	2.71	-48.80
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C1	REAL300008250456	0	43	-1.0	-51.06	357.64	5.12	-45.94
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300008250457	0	35	-1.0	-59.34	313.59	2.89	-56.45
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250458	0	43	-1.0	-56.85	342.98	2.03	-54.82
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250459	0	44	-1.0	-57.86	383.85	3.07	-54.79
CSC1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250460	0	36	-1.0	-52.70	316.67	4.92	-47.78
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C1	REAL300008250461	0	40	-1.0	-52.89	359.16	0.63	-52.26
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250462	0	46	-1.0	-55.13	399.34	1.65	-53.48
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250463	0	43	-1.0	-57.92	359.20	3.77	-54.15
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1F	REAL300008250464	0	43	-1.0	-50.87	376.62	1.89	-48.98
CCC1=CC=C(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250465	0	41	-1.0	-52.20	346.90	6.01	-46.19
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=CS2)C1	REAL300008250466	0	35	-1.0	-51.92	315.74	4.45	-47.47
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300008250467	0	47	-1.0	-46.89	390.62	4.65	-42.24
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300008250468	0	44	-1.0	-55.80	372.98	3.86	-51.94
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250469	0	41	-1.0	-57.72	362.36	2.28	-55.44
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250470	0	42	-1.0	-58.22	369.19	1.15	-57.07
CC1=CC=C(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300008250471	0	41	-1.0	-52.75	342.43	5.77	-46.98
CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300008250472	0	39	-1.0	-51.67	348.63	5.11	-46.56
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300008250473	0	46	-1.0	-55.87	388.37	6.92	-48.95
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300008250474	0	36	-1.0	-52.41	335.41	4.38	-48.03
COC1=CC=C(Br)C(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250475	0	39	-1.0	-51.78	345.67	4.73	-47.05
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCOC(C)(C)C2)C1	REAL300008250476	0	41	-1.0	-49.75	323.84	2.37	-47.38
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2S1	REAL300008250477	0	46	-1.0	-52.70	393.20	5.81	-46.89
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250478	0	39	-1.0	-53.31	348.37	4.80	-48.51
CC(C)N1N=CC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300008250479	0	44	-1.0	-52.51	370.92	5.40	-47.11
CCS(=O)(=O)NCCS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250480	0	39	-1.0	-61.64	344.93	-1.41	-63.05
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300008250481	0	38	-1.0	-50.02	329.42	5.44	-44.58
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300008250482	0	35	-1.0	-51.47	335.83	5.80	-45.67
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300008250483	0	38	-1.0	-54.77	347.80	6.74	-48.03
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C1	REAL300008250484	0	35	-1.0	-49.49	333.59	5.72	-43.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300008250485	0	38	-1.0	-52.46	337.89	6.72	-45.74
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300008250486	0	38	-1.0	-51.95	341.18	5.64	-46.31
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300008250487	0	43	-1.0	-53.01	361.40	5.19	-47.82
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300008250488	0	46	-1.0	-52.30	395.79	7.18	-45.12
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250489	0	45	-1.0	-55.17	386.74	5.39	-49.78
CC1(C(=O)[O-])CC(NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300008250490	0	43	-1.0	-55.70	380.26	0.92	-54.78
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300008250491	0	41	-1.0	-54.06	351.27	6.86	-47.20
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1N(C)C	REAL300008250492	0	43	-1.0	-49.94	354.80	4.51	-45.43
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300008250493	0	38	-1.0	-54.05	341.70	5.79	-48.26
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300008250494	0	37	-1.0	-50.55	311.46	0.79	-49.76
CC1(C(=O)[O-])CC(NS(=O)(=O)CCOCC2CCCC2)C1	REAL300008250495	0	45	-1.0	-50.82	364.99	4.31	-46.51
COC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300008250496	0	39	-1.0	-55.47	341.20	4.51	-50.96
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC(S(C)(=O)=O)=C2)C1	REAL300008250497	0	41	-1.0	-61.19	360.18	2.38	-58.81
CSC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300008250498	0	36	-1.0	-48.06	335.40	5.33	-42.73
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250499	0	44	-1.0	-48.35	351.91	4.29	-44.06
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300008250500	0	40	-1.0	-55.99	351.35	2.42	-53.57
CCC1=NOC2=NC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C12	REAL300008250501	0	39	-1.0	-53.30	342.41	1.54	-51.76
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300008250502	0	43	-1.0	-50.62	376.70	3.68	-46.94
CN1N=CC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CN=C21	REAL300008250503	0	37	-1.0	-50.90	324.56	3.00	-47.90
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300008250504	0	38	-1.0	-51.19	347.39	6.75	-44.44
CCC1=CC(CC)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(CC)=C1	REAL300008250505	0	50	-1.0	-49.79	380.94	8.44	-41.35
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300008250506	0	39	-1.0	-55.28	321.45	4.20	-51.08
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300008250507	0	38	-1.0	-49.02	348.80	1.95	-47.07
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300008250508	0	41	-1.0	-60.55	346.52	7.60	-52.95
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300008250509	0	39	-1.0	-50.81	329.48	4.09	-46.72
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2(C)CCCCC2)C1	REAL300008250510	0	44	-1.0	-51.86	325.43	5.64	-46.22
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300008250511	0	41	-1.0	-53.20	342.24	5.28	-47.92
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300008250513	0	40	-1.0	-52.91	349.64	5.14	-47.77
COCC1=CC(Cl)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250514	0	39	-1.0	-52.18	352.00	4.09	-48.09
CC1=CC=C(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(F)=C1	REAL300008250515	0	38	-1.0	-56.85	330.73	5.28	-51.57
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300008250517	0	32	-1.0	-50.97	312.76	4.04	-46.93
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300008250518	0	45	-1.0	-51.84	369.00	7.15	-44.69
CC(C)(C)C1=CC(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=NO1	REAL300008250519	0	43	-1.0	-52.96	357.61	4.89	-48.07
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300008250520	0	41	-1.0	-62.99	336.73	1.30	-61.69
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300008250521	0	35	-1.0	-54.17	316.37	4.30	-49.87
CC1=C(CCS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)SC=N1	REAL300008250522	0	37	-1.0	-52.01	329.03	3.08	-48.93
CC1(C(=O)[O-])CC(NS(=O)(=O)CC23CCC(CC2)C3)C1	REAL300008250523	0	42	-1.0	-50.41	327.17	5.36	-45.05
COC1=CC=C2C=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)CCC2=C1	REAL300008250524	0	44	-1.0	-52.03	365.56	5.56	-46.47
CC1(C(=O)[O-])CC(NS(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300008250525	0	45	-1.0	-50.39	337.67	5.88	-44.51
CC(C)(CCS(=O)(=O)NC1CC(C)(C(=O)[O-])C1)S(C)(=O)=O	REAL300008250526	0	43	-1.0	-60.95	354.31	0.96	-59.99
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2CCCCC2(F)F)C1	REAL300008250527	0	41	-1.0	-51.36	333.30	5.00	-46.36
CC1(C(=O)[O-])CC(NS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300008250528	0	39	-1.0	-49.82	330.95	5.98	-43.84
CCC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008250529	0	40	-1.0	-47.58	342.59	5.70	-41.88
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300008250530	0	32	-1.0	-49.06	296.92	4.38	-44.68
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300008250531	0	32	-1.0	-49.02	301.48	4.48	-44.54
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300008250532	0	34	-1.0	-50.00	308.42	4.53	-45.47
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300008250533	0	38	-1.0	-53.25	326.15	6.14	-47.11
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300008250534	0	34	-1.0	-47.69	308.42	4.53	-43.16
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250535	0	37	-1.0	-59.12	323.20	5.42	-53.70
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300008250536	0	34	-1.0	-52.44	297.55	5.33	-47.11
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250537	0	39	-1.0	-52.45	352.09	5.14	-47.31
CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250538	0	39	-1.0	-50.43	331.53	4.08	-46.35
CC1=CC(C)=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1C	REAL300008250539	0	44	-1.0	-50.64	340.65	6.50	-44.14
CC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1	REAL300008250540	0	41	-1.0	-50.35	327.94	6.10	-44.25
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250541	0	47	-1.0	-53.44	371.19	7.07	-46.37
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300008250542	0	35	-1.0	-47.57	319.27	4.88	-42.69
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300008250543	0	35	-1.0	-49.78	303.36	5.34	-44.44
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300008250544	0	32	-1.0	-48.03	296.94	4.38	-43.65
CC(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250545	0	37	-1.0	-50.11	321.42	4.28	-45.83
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008250546	0	38	-1.0	-63.52	335.71	4.60	-58.92
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250547	0	44	-1.0	-48.65	351.87	6.48	-42.17
CC(C)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250548	0	41	-1.0	-51.16	340.41	5.79	-45.37
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250549	0	43	-1.0	-55.43	374.93	1.90	-53.53
CCCC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250550	0	41	-1.0	-50.91	344.58	6.08	-44.83
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300008250551	0	36	-1.0	-48.52	330.10	3.83	-44.69
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300008250552	0	35	-1.0	-49.26	319.70	5.04	-44.22
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2)=C1	REAL300008250553	0	46	-1.0	-52.09	390.31	7.37	-44.72
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300008250554	0	36	-1.0	-50.07	326.17	3.65	-46.42
CC1=C(C)C(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1C	REAL300008250555	0	47	-1.0	-51.44	353.73	6.92	-44.52
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300008250556	0	41	-1.0	-50.87	343.00	3.80	-47.07
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250557	0	48	-1.0	-53.66	385.08	5.93	-47.73
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008250558	0	37	-1.0	-47.72	324.42	5.05	-42.67
COC1=CC=C(Br)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250559	0	36	-1.0	-53.59	329.80	4.25	-49.34
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250560	0	50	-1.0	-50.09	382.73	7.76	-42.33
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300008250561	0	35	-1.0	-48.32	314.40	5.16	-43.16
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300008250562	0	42	-1.0	-52.59	342.91	6.35	-46.24
COC1=CC=C(OC)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250563	0	40	-1.0	-56.89	337.99	2.91	-53.98
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300008250564	0	40	-1.0	-54.01	338.94	3.06	-50.95
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300008250565	0	39	-1.0	-52.89	325.71	5.77	-47.12
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300008250566	0	40	-1.0	-50.92	336.11	6.26	-44.66
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300008250567	0	37	-1.0	-51.59	316.12	3.71	-47.88
CC(C)CCC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250568	0	47	-1.0	-50.83	383.64	7.36	-43.47
CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1OCC	REAL300008250569	0	46	-1.0	-54.01	382.63	4.90	-49.11
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C1	REAL300008250570	0	37	-1.0	-56.75	334.42	-1.19	-57.94
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300008250571	0	40	-1.0	-61.22	343.80	5.67	-55.55
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1C	REAL300008250572	0	40	-1.0	-58.62	340.12	5.94	-52.68
CC1=CC2=CC=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=C2N=C1	REAL300008250573	0	40	-1.0	-55.39	329.12	5.57	-49.82
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300008250574	0	38	-1.0	-50.30	327.02	4.63	-45.67
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250575	0	36	-1.0	-50.84	325.25	4.13	-46.71
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C1	REAL300008250576	0	37	-1.0	-57.91	334.38	-1.18	-59.09
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300008250577	0	44	-1.0	-53.26	389.21	1.71	-51.55
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250578	0	40	-1.0	-50.90	345.16	5.28	-45.62
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300008250579	0	41	-1.0	-50.77	334.38	5.49	-45.28
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=CN=C12	REAL300008250580	0	40	-1.0	-54.13	336.43	5.14	-48.99
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300008250581	0	40	-1.0	-51.53	336.09	6.54	-44.99
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250582	0	43	-1.0	-53.25	376.51	1.82	-51.43
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300008250583	0	44	-1.0	-68.33	366.13	3.20	-65.13
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C1	REAL300008250584	0	38	-1.0	-56.60	340.89	1.38	-55.22
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300008250585	0	42	-1.0	-55.14	348.36	7.37	-47.77
CC1CC(C)CN(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C1	REAL300008250586	0	43	-1.0	-52.07	327.41	4.32	-47.75
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300008250587	0	38	-1.0	-53.90	321.18	6.22	-47.68
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300008250588	0	42	-1.0	-52.65	354.38	7.27	-45.38
CC1=CC=C(F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250589	0	35	-1.0	-54.16	301.39	4.82	-49.34
CN(C)C1=CC=CC2=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=CC=C12	REAL300008250590	0	46	-1.0	-52.79	374.59	6.07	-46.72
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300008250591	0	33	-1.0	-54.58	297.82	2.32	-52.26
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250592	0	36	-1.0	-53.75	325.23	4.14	-49.61
CCC(C)(C)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250593	0	47	-1.0	-51.32	370.62	6.65	-44.67
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300008250594	0	35	-1.0	-52.99	315.67	4.96	-48.03
CC(C)OC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250595	0	42	-1.0	-52.06	349.46	4.70	-47.36
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300008250596	0	35	-1.0	-51.44	316.21	5.38	-46.06
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300008250597	0	33	-1.0	-61.90	290.49	2.64	-59.26
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300008250598	0	37	-1.0	-54.67	337.75	6.35	-48.32
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300008250599	0	37	-1.0	-54.81	307.74	4.92	-49.89
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300008250600	0	43	-1.0	-53.55	385.69	7.25	-46.30
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250601	0	38	-1.0	-50.50	336.69	4.30	-46.20
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1F	REAL300008250602	0	36	-1.0	-48.82	315.91	3.23	-45.59
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1F	REAL300008250603	0	35	-1.0	-54.33	306.92	4.57	-49.76
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300008250604	0	43	-1.0	-50.77	385.60	7.22	-43.55
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2)C=C1	REAL300008250605	0	47	-1.0	-50.82	394.55	6.32	-44.50
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C(C)C)=C1	REAL300008250606	0	59	-1.0	-49.60	440.48	9.88	-39.72
CC(C)OC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300008250607	0	48	-1.0	-53.75	389.80	7.15	-46.60
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300008250608	0	35	-1.0	-52.11	335.93	5.54	-46.57
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300008250609	0	42	-1.0	-54.07	349.55	5.55	-48.52
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250610	0	37	-1.0	-51.40	323.92	5.33	-46.07
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250611	0	37	-1.0	-49.23	317.55	5.23	-44.00
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250612	0	40	-1.0	-51.59	341.37	6.31	-45.28
CC(C)CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250613	0	44	-1.0	-50.85	361.34	6.54	-44.31
COCCC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250614	0	42	-1.0	-51.45	356.75	4.37	-47.08
COCCN(CCOC)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250615	0	44	-1.0	-49.59	351.30	0.94	-48.65
CC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250616	0	35	-1.0	-53.15	311.72	5.27	-47.88
COC1=C(C)C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300008250617	0	42	-1.0	-49.66	349.25	5.04	-44.62
CC(C)CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250618	0	48	-1.0	-49.98	392.10	6.18	-43.80
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300008250619	0	46	-1.0	-50.16	374.84	6.08	-44.08
CC(C)COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250620	0	45	-1.0	-50.20	373.13	5.57	-44.63
CCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250621	0	42	-1.0	-50.17	353.03	4.88	-45.29
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300008250622	0	36	-1.0	-48.58	325.72	3.72	-44.86
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300008250623	0	36	-1.0	-50.26	332.14	4.34	-45.92
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300008250624	0	39	-1.0	-50.90	329.77	3.90	-47.00
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300008250625	0	45	-1.0	-52.21	369.54	5.45	-46.76
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1	REAL300008250626	0	39	-1.0	-52.35	324.33	4.04	-48.31
COCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250627	0	43	-1.0	-51.71	365.16	3.35	-48.36
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC=C2F)C1	REAL300008250628	0	35	-1.0	-51.87	309.32	4.60	-47.27
CC1=CC(Br)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250629	0	35	-1.0	-50.35	316.21	5.36	-44.99
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1C	REAL300008250630	0	40	-1.0	-51.14	330.83	6.78	-44.36
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250631	0	41	-1.0	-57.56	355.68	2.27	-55.29
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300008250632	0	44	-1.0	-54.51	384.68	2.01	-52.50
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250633	0	40	-1.0	-55.70	356.80	0.03	-55.67
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250634	0	40	-1.0	-51.32	338.66	2.22	-49.10
CC1=NC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300008250635	0	34	-1.0	-50.40	305.43	2.41	-47.99
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300008250636	0	35	-1.0	-51.79	316.90	5.21	-46.58
COC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1F	REAL300008250637	0	36	-1.0	-50.59	315.93	3.23	-47.36
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300008250638	0	42	-1.0	-51.37	354.40	7.27	-44.10
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300008250639	0	35	-1.0	-50.18	337.48	5.58	-44.60
CC1=NC(C2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)S2)=CS1	REAL300008250640	0	38	-1.0	-53.01	359.64	4.40	-48.61
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300008250641	0	52	-1.0	-49.95	414.76	7.48	-42.47
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250642	0	40	-1.0	-57.18	342.98	5.13	-52.05
CNC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CN1C	REAL300008250643	0	40	-1.0	-53.49	344.08	1.51	-51.98
COC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1	REAL300008250644	0	42	-1.0	-51.07	335.60	4.64	-46.43
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300008250645	0	43	-1.0	-53.35	364.42	7.98	-45.37
COC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300008250646	0	42	-1.0	-53.81	344.39	4.78	-49.03
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300008250647	0	40	-1.0	-50.38	326.11	5.06	-45.32
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300008250648	0	37	-1.0	-53.34	316.50	4.41	-48.93
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC1CC(C)(C(=O)[O-])C1)=C2	REAL300008250649	0	45	-1.0	-59.10	380.01	7.69	-51.41
CCN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300008250650	0	37	-1.0	-51.61	330.24	4.74	-46.87
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300008250651	0	39	-1.0	-50.12	351.11	4.55	-45.57
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300008250652	0	46	-1.0	-51.47	391.44	7.14	-44.33
CCC(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250653	0	40	-1.0	-53.23	343.28	5.13	-48.10
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300008250654	0	42	-1.0	-56.77	366.18	5.43	-51.34
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300008250655	0	35	-1.0	-70.35	308.38	3.05	-67.30
CC(C)CCN(CCC(C)C)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250656	0	54	-1.0	-48.40	414.70	6.62	-41.78
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C1	REAL300008250657	0	40	-1.0	-60.43	353.75	0.57	-59.86
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300008250658	0	35	-1.0	-52.04	305.89	4.94	-47.10
CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300008250659	0	45	-1.0	-53.84	371.35	6.49	-47.35
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250660	0	42	-1.0	-53.85	351.89	5.21	-48.64
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300008250661	0	37	-1.0	-54.94	328.47	4.04	-50.90
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300008250662	0	39	-1.0	-56.08	340.76	4.99	-51.09
CCOCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250663	0	46	-1.0	-51.76	387.01	4.32	-47.44
CCCCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250664	0	48	-1.0	-50.03	396.03	6.44	-43.59
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300008250665	0	42	-1.0	-50.97	332.61	6.89	-44.08
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300008250666	0	38	-1.0	-50.99	328.63	5.67	-45.32
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300008250667	0	36	-1.0	-51.20	336.56	5.32	-45.88
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300008250668	0	37	-1.0	-50.35	316.17	3.16	-47.19
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300008250669	0	40	-1.0	-56.79	343.90	5.11	-51.68
CC1(C(=O)[O-])CC(NS(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300008250670	0	38	-1.0	-62.13	324.87	0.29	-61.84
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300008250671	0	37	-1.0	-55.28	323.93	4.34	-50.94
CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1	REAL300008250672	0	42	-1.0	-52.14	346.18	4.97	-47.17
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250673	0	40	-1.0	-63.18	356.81	0.03	-63.15
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300008250674	0	36	-1.0	-53.01	318.64	3.88	-49.13
CSC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250675	0	36	-1.0	-50.12	320.38	4.88	-45.24
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300008250676	0	38	-1.0	-54.35	342.73	5.56	-48.79
CCN(CC1=CC=CC=C1)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250677	0	43	-1.0	-50.45	348.58	5.58	-44.87
CCN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)N=C1C	REAL300008250678	0	38	-1.0	-58.90	325.32	3.66	-55.24
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300008250679	0	38	-1.0	-53.21	323.77	3.47	-49.74
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300008250680	0	37	-1.0	-53.60	316.34	4.31	-49.29
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300008250681	0	44	-1.0	-54.88	373.92	5.84	-49.04
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300008250682	0	38	-1.0	-54.60	334.63	5.38	-49.22
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300008250683	0	38	-1.0	-51.16	346.56	4.21	-46.95
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300008250684	0	41	-1.0	-56.78	345.01	5.45	-51.33
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C12	REAL300008250685	0	40	-1.0	-55.14	346.51	3.58	-51.56
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250686	0	39	-1.0	-53.23	348.91	4.46	-48.77
COCC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250687	0	39	-1.0	-51.62	335.26	3.58	-48.04
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C3OC(C)(C)CC3=CC=C2)C1	REAL300008250688	0	43	-1.0	-54.72	359.52	5.08	-49.64
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300008250689	0	35	-1.0	-51.02	317.49	5.02	-46.00
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300008250690	0	44	-1.0	-62.76	372.26	2.66	-60.10
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300008250691	0	39	-1.0	-51.63	350.01	4.36	-47.27
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300008250692	0	40	-1.0	-51.78	341.99	4.49	-47.29
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300008250693	0	35	-1.0	-52.80	330.92	5.46	-47.34
CC1CC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300008250694	0	40	-1.0	-52.26	337.25	4.47	-47.79
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250695	0	44	-1.0	-49.58	337.36	7.04	-42.54
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250696	0	44	-1.0	-52.97	369.81	2.81	-50.16
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300008250697	0	43	-1.0	-51.58	381.78	7.54	-44.04
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300008250698	0	38	-1.0	-51.95	342.10	4.84	-47.11
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300008250699	0	38	-1.0	-50.96	356.86	4.67	-46.29
CC1=NC(C2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2)=CO1	REAL300008250700	0	41	-1.0	-53.90	352.06	3.22	-50.68
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300008250701	0	35	-1.0	-49.70	319.46	2.76	-46.94
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300008250702	0	35	-1.0	-58.04	309.95	4.23	-53.81
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300008250703	0	35	-1.0	-50.08	306.24	2.52	-47.56
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300008250704	0	35	-1.0	-52.09	307.37	0.55	-51.54
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300008250705	0	40	-1.0	-51.72	333.89	4.49	-47.23
CC1(C(=O)[O-])CC(NS(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300008250706	0	39	-1.0	-51.25	328.25	5.80	-45.45
CC1=CC=C(N2C=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=N2)C=C1	REAL300008250707	0	42	-1.0	-53.75	363.60	5.65	-48.10
CC1CC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300008250708	0	40	-1.0	-48.91	353.97	4.98	-43.93
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300008250709	0	37	-1.0	-46.16	320.10	5.44	-40.72
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300008250710	0	43	-1.0	-59.87	367.93	4.62	-55.25
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300008250711	0	34	-1.0	-54.17	312.19	3.35	-50.82
CN(C)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250712	0	40	-1.0	-52.98	332.69	4.28	-48.70
CC1=CC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2C=C1	REAL300008250713	0	41	-1.0	-53.19	347.49	6.80	-46.39
COC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)SC=C1	REAL300008250714	0	33	-1.0	-54.75	294.08	2.23	-52.52
CN(C)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250715	0	40	-1.0	-52.02	331.72	4.25	-47.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300008250716	0	37	-1.0	-53.45	309.32	3.78	-49.67
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300008250717	0	37	-1.0	-53.39	327.36	3.92	-49.47
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300008250718	0	37	-1.0	-50.98	316.00	3.70	-47.28
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300008250719	0	38	-1.0	-50.89	342.24	5.88	-45.01
CN1CCCC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C21	REAL300008250720	0	44	-1.0	-51.97	354.41	4.41	-47.56
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300008250721	0	34	-1.0	-52.67	314.92	3.09	-49.58
COC1=CC=CC(OC)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250722	0	40	-1.0	-55.47	332.65	4.40	-51.07
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250723	0	40	-1.0	-48.83	338.62	5.89	-42.94
CC1=CC=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300008250724	0	40	-1.0	-50.40	336.17	6.84	-43.56
CC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008250725	0	40	-1.0	-59.70	339.03	5.91	-53.79
COC1=CC=C(CCS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250726	0	42	-1.0	-52.29	355.01	4.66	-47.63
COC1=CN=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250727	0	35	-1.0	-49.83	301.44	1.69	-48.14
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300008250728	0	41	-1.0	-52.56	353.18	5.50	-47.06
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300008250729	0	39	-1.0	-48.84	324.89	6.26	-42.58
COC1=CC(OC)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250730	0	40	-1.0	-54.64	339.17	2.46	-52.18
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2CCCCC2)C1	REAL300008250731	0	44	-1.0	-50.11	346.29	5.53	-44.58
CC1=CC=C(CCS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250732	0	41	-1.0	-51.61	346.91	6.04	-45.57
CC1=CC2=C(C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1)OCO2	REAL300008250733	0	38	-1.0	-54.72	320.92	3.40	-51.32
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300008250734	0	35	-1.0	-53.84	301.81	4.07	-49.77
COC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300008250735	0	36	-1.0	-49.99	325.73	3.72	-46.27
CN1C=NC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300008250736	0	38	-1.0	-55.17	328.47	5.21	-49.96
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300008250737	0	40	-1.0	-60.28	332.33	5.75	-54.53
CC1=NC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2O1	REAL300008250738	0	37	-1.0	-53.59	324.74	1.50	-52.09
CCC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1CC	REAL300008250739	0	44	-1.0	-51.14	357.26	6.43	-44.71
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250740	0	40	-1.0	-48.66	335.09	6.09	-42.57
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250741	0	42	-1.0	-51.69	339.00	5.41	-46.28
CC1=C(C)SC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250742	0	35	-1.0	-50.12	313.84	4.22	-45.90
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CN=C2N)C1	REAL300008250743	0	33	-1.0	-50.98	302.39	1.73	-49.25
CCC1=NC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300008250744	0	34	-1.0	-49.55	310.20	2.43	-47.12
CN(C)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300008250745	0	39	-1.0	-54.79	328.59	3.73	-51.06
CC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300008250746	0	35	-1.0	-51.80	306.25	4.02	-47.78
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300008250747	0	38	-1.0	-53.33	331.28	5.90	-47.43
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300008250748	0	35	-1.0	-54.27	308.24	2.49	-51.78
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC(C)=C1F	REAL300008250749	0	38	-1.0	-49.41	327.23	5.20	-44.21
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300008250750	0	39	-1.0	-61.72	336.20	3.61	-58.11
CC1(C(=O)[O-])CC(NS(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300008250751	0	45	-1.0	-53.29	381.04	5.42	-47.87
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNC3=CC=CC(F)=C32)C1	REAL300008250752	0	36	-1.0	-54.05	318.69	3.92	-50.13
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300008250753	0	34	-1.0	-53.16	303.76	3.74	-49.42
CC1=NC(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CS1	REAL300008250754	0	34	-1.0	-56.89	310.59	2.25	-54.64
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300008250755	0	35	-1.0	-50.78	320.74	5.09	-45.69
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300008250756	0	35	-1.0	-49.19	315.67	4.95	-44.24
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300008250757	0	38	-1.0	-64.83	328.31	4.84	-59.99
CC1=CSC(C2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2)=N1	REAL300008250758	0	41	-1.0	-54.33	366.43	5.33	-49.00
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300008250759	0	40	-1.0	-53.74	332.80	5.05	-48.69
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300008250760	0	39	-1.0	-58.64	345.30	1.72	-56.92
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300008250761	0	41	-1.0	-52.57	342.30	4.17	-48.40
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300008250762	0	35	-1.0	-50.39	319.36	5.39	-45.00
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250763	0	57	-1.0	-50.11	460.52	8.79	-41.32
CCC(C)OC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250764	0	45	-1.0	-50.37	370.23	5.52	-44.85
COC(CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1)C1CCCC1	REAL300008250765	0	45	-1.0	-49.34	357.61	4.18	-45.16
COC(CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300008250766	0	48	-1.0	-48.70	370.76	4.65	-44.05
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300008250767	0	46	-1.0	-49.72	397.68	7.21	-42.51
CCOC(CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1)C1CC1	REAL300008250768	0	42	-1.0	-53.18	344.34	4.16	-49.02
CCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300008250769	0	51	-1.0	-51.93	411.66	6.91	-45.02
CCC1=NC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CN1CC1CC1	REAL300008250770	0	45	-1.0	-57.14	375.74	5.64	-51.50
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300008250771	0	35	-1.0	-49.92	321.38	3.36	-46.56
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300008250772	0	40	-1.0	-50.09	344.12	6.21	-43.88
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250773	0	39	-1.0	-49.12	321.23	4.00	-45.12
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300008250774	0	45	-1.0	-53.65	381.91	6.12	-47.53
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250775	0	35	-1.0	-50.59	321.80	2.47	-48.12
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300008250776	0	43	-1.0	-56.24	380.83	7.96	-48.28
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300008250777	0	42	-1.0	-54.12	347.73	7.28	-46.84
CCC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C(C)C=C1OC	REAL300008250778	0	45	-1.0	-54.08	366.87	5.44	-48.64
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300008250779	0	38	-1.0	-48.87	351.39	5.73	-43.14
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=N1	REAL300008250780	1	34	-1.0	-57.65	303.99	3.19	-54.46
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300008250781	0	41	-1.0	-54.77	329.89	6.91	-47.86
CC(C)OC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300008250782	0	41	-1.0	-49.46	349.36	2.41	-47.05
COC1=C(F)C=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250783	0	36	-1.0	-49.57	314.69	3.87	-45.70
CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300008250784	0	48	-1.0	-52.34	390.16	6.11	-46.23
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1F	REAL300008250785	0	44	-1.0	-54.14	358.42	6.12	-48.02
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300008250786	0	51	-1.0	-51.86	405.85	8.38	-43.48
CN1N=C2CCCCC2=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250787	0	42	-1.0	-49.51	334.58	4.20	-45.31
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300008250788	0	44	-1.0	-54.33	349.74	4.06	-50.27
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300008250789	0	42	-1.0	-49.31	347.62	4.21	-45.10
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250790	0	35	-1.0	-45.54	311.49	2.62	-42.92
COC1=CC=C(F)C=C1CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250791	0	39	-1.0	-53.49	338.59	4.01	-49.48
C=CCCC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250792	0	42	-1.0	-50.70	357.39	6.64	-44.06
CCC1=NN(C)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250793	0	38	-1.0	-52.16	319.75	2.78	-49.38
CCCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300008250794	0	54	-1.0	-49.89	433.15	7.69	-42.20
CC1(C(=O)[O-])CC(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300008250795	0	36	-1.0	-50.07	328.83	5.57	-44.50
CCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(C)(C)C	REAL300008250796	0	54	-1.0	-52.38	424.21	7.58	-44.80
CCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1CC	REAL300008250797	0	48	-1.0	-50.21	394.74	6.37	-43.84
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250798	0	38	-1.0	-47.61	322.87	5.85	-41.76
CC1=CC(Br)=CC=C1CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250799	0	38	-1.0	-50.63	341.10	5.76	-44.87
CC1(C(=O)[O-])CC(NS(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300008250800	0	36	-1.0	-50.82	326.34	5.48	-45.34
CCCC1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250801	0	41	-1.0	-52.38	333.37	6.39	-45.99
COC1=NC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250802	0	35	-1.0	-51.95	306.18	1.02	-50.93
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250803	0	48	-1.0	-48.98	393.68	6.61	-42.37
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300008250804	0	37	-1.0	-52.84	316.42	4.38	-48.46
CC1=CSC(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250805	0	35	-1.0	-47.07	299.61	4.44	-42.63
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300008250806	0	39	-1.0	-55.02	330.09	3.55	-51.47
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300008250807	0	39	-1.0	-48.72	321.08	3.43	-45.29
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300008250808	0	42	-1.0	-49.72	337.84	4.05	-45.67
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C1	REAL300008250809	0	43	-1.0	-50.40	349.48	1.89	-48.51
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300008250810	0	38	-1.0	-52.36	347.04	4.75	-47.61
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300008250811	0	39	-1.0	-56.05	321.73	3.95	-52.10
CCCCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300008250812	0	57	-1.0	-49.91	454.65	8.47	-41.44
COC1=CC(C(C)C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300008250813	0	48	-1.0	-53.71	381.33	5.92	-47.79
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250814	0	42	-1.0	-54.20	355.22	5.26	-48.94
CCOCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300008250815	0	55	-1.0	-55.05	445.64	6.33	-48.72
CC1CC2=CC=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=C2O1	REAL300008250816	0	40	-1.0	-54.00	337.37	4.41	-49.59
CC(C)(C)C1=NC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300008250817	0	40	-1.0	-49.92	348.86	3.51	-46.41
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300008250818	0	38	-1.0	-51.60	332.29	4.49	-47.11
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250819	0	37	-1.0	-59.49	320.88	3.46	-56.03
CC1(C(=O)[O-])CC(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300008250820	0	41	-1.0	-53.56	322.08	4.00	-49.56
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNC3=CC(Br)=CC=C32)C1	REAL300008250821	0	36	-1.0	-50.69	335.25	4.41	-46.28
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300008250822	0	33	-1.0	-51.85	295.08	2.65	-49.20
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300008250823	0	35	-1.0	-55.27	319.04	5.28	-49.99
CN1N=C(C2CC2)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250824	0	39	-1.0	-51.15	332.13	3.57	-47.58
CC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300008250825	0	41	-1.0	-52.50	331.90	6.11	-46.39
COC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1OC	REAL300008250826	0	40	-1.0	-52.17	337.69	3.68	-48.49
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300008250827	0	35	-1.0	-52.62	309.98	4.13	-48.49
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300008250828	0	45	-1.0	-52.47	369.17	4.72	-47.75
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250829	0	44	-1.0	-54.90	356.67	4.47	-50.43
CCCCN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=N1	REAL300008250830	0	44	-1.0	-52.26	354.03	4.09	-48.17
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300008250831	0	39	-1.0	-53.01	333.68	4.03	-48.98
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300008250832	0	36	-1.0	-54.76	319.43	3.43	-51.33
CN1N=NC2=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=CC=C21	REAL300008250833	0	37	-1.0	-67.44	317.85	2.34	-65.10
CC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300008250834	0	38	-1.0	-53.54	334.48	5.93	-47.61
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCCC(C)(C)C2)C1	REAL300008250835	0	43	-1.0	-49.37	334.68	4.24	-45.13
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300008250836	0	38	-1.0	-48.57	348.40	4.99	-43.58
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300008250837	0	42	-1.0	-52.54	352.12	4.23	-48.31
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250838	0	50	-1.0	-53.25	392.14	7.75	-45.50
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300008250839	0	38	-1.0	-51.46	352.33	5.72	-45.74
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300008250840	0	42	-1.0	-49.62	354.18	4.51	-45.11
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300008250841	0	36	-1.0	-49.01	312.42	5.36	-43.65
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300008250842	0	43	-1.0	-52.34	379.22	6.67	-45.67
COC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300008250843	0	41	-1.0	-63.31	344.08	5.21	-58.10
CCCC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250844	0	41	-1.0	-50.57	344.58	6.07	-44.50
CN1N=C2CCCC2=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250845	0	39	-1.0	-50.63	321.79	3.70	-46.93
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250846	0	41	-1.0	-50.64	321.19	3.18	-47.46
CC(C)(C)N1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300008250847	0	41	-1.0	-51.29	340.16	3.88	-47.41
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300008250848	0	39	-1.0	-51.29	329.79	2.90	-48.39
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300008250849	0	37	-1.0	-47.01	331.20	3.68	-43.33
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300008250850	0	35	-1.0	-48.20	325.34	4.93	-43.27
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250851	0	43	-1.0	-52.90	364.78	5.89	-47.01
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300008250852	0	43	-1.0	-53.32	348.87	6.93	-46.39
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300008250853	0	38	-1.0	-50.65	342.65	4.89	-45.76
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300008250854	0	38	-1.0	-51.31	320.10	4.62	-46.69
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300008250855	0	39	-1.0	-55.18	328.79	2.50	-52.68
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250856	0	42	-1.0	-50.49	376.39	4.63	-45.86
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300008250857	0	32	-1.0	-47.82	298.86	4.21	-43.61
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300008250858	0	39	-1.0	-50.60	329.40	5.96	-44.64
COC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=CS1	REAL300008250859	0	33	-1.0	-47.85	295.26	2.39	-45.46
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300008250860	0	42	-1.0	-48.52	338.78	4.16	-44.36
CCC(C)N1N=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250861	0	41	-1.0	-53.37	341.33	3.68	-49.69
CN(C1CCCCCC1)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250862	0	46	-1.0	-49.62	347.53	4.63	-44.99
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300008250863	0	46	-1.0	-53.41	379.81	3.00	-50.41
CC(F)(F)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1	REAL300008250864	0	38	-1.0	-52.31	334.34	5.37	-46.94
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300008250865	0	36	-1.0	-51.66	319.45	3.44	-48.22
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300008250866	0	47	-1.0	-50.89	370.74	6.32	-44.57
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300008250867	0	33	-1.0	-50.97	303.98	2.30	-48.67
CC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300008250868	0	43	-1.0	-60.19	350.12	6.28	-53.91
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300008250869	0	40	-1.0	-50.67	331.07	3.78	-46.89
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300008250870	0	35	-1.0	-48.88	312.87	2.56	-46.32
CCOCC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250871	0	42	-1.0	-51.61	357.11	4.55	-47.06
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250872	0	42	-1.0	-53.17	359.86	5.04	-48.13
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300008250873	0	45	-1.0	-49.26	366.59	4.81	-44.45
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300008250874	0	43	-1.0	-51.46	368.88	6.70	-44.76
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2CF)C1	REAL300008250875	0	35	-1.0	-53.74	300.05	4.92	-48.82
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC(C)=C1Br	REAL300008250876	0	38	-1.0	-49.52	337.90	5.60	-43.92
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300008250877	0	41	-1.0	-54.57	338.90	6.75	-47.82
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300008250878	0	42	-1.0	-54.95	354.43	5.30	-49.65
CC1(C(=O)[O-])CC(NS(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300008250879	0	36	-1.0	-51.77	318.51	5.12	-46.65
CC1(C(=O)[O-])CC(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300008250880	0	36	-1.0	-49.98	333.39	5.66	-44.32
CC1(C(=O)[O-])CC(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300008250881	0	36	-1.0	-51.14	333.39	5.67	-45.47
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300008250882	0	37	-1.0	-58.07	323.45	-2.20	-60.27
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300008250883	0	35	-1.0	-58.27	305.68	4.25	-54.02
CC1(C(=O)[O-])CC(NS(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300008250884	0	38	-1.0	-52.14	317.92	4.39	-47.75
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300008250885	0	34	-1.0	-50.94	311.14	3.25	-47.69
CC1(C(=O)[O-])CC(NS(=O)(=O)CCOC2CCOC2)C1	REAL300008250886	0	40	-1.0	-52.50	335.08	1.05	-51.45
CC1=NC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300008250887	0	41	-1.0	-50.98	347.67	3.17	-47.81
CC1(C(=O)[O-])CC(NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300008250888	0	49	-1.0	-50.45	359.52	6.79	-43.66
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2CC(C)(C)CO2)C1	REAL300008250889	0	42	-1.0	-51.62	340.41	3.34	-48.28
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300008250890	0	35	-1.0	-57.37	311.24	-0.46	-57.83
CC(C)(CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1)C(C)(F)F	REAL300008250891	0	40	-1.0	-51.85	320.06	4.30	-47.55
CC1(C(=O)[O-])CC(NS(=O)(=O)CCCCS(C)(=O)=O)C1	REAL300008250892	0	40	-1.0	-64.06	351.55	0.66	-63.40
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2CCC(C)(C)CO2)C1	REAL300008250893	0	45	-1.0	-50.86	354.53	4.22	-46.64
CC1(C(=O)[O-])CC(NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300008250894	0	42	-1.0	-52.97	351.59	6.14	-46.83
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300008250895	0	36	-1.0	-60.38	328.23	2.89	-57.49
CC1(C(=O)[O-])CC(NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300008250896	0	42	-1.0	-54.05	364.49	6.78	-47.27
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300008250897	0	41	-1.0	-56.18	334.30	1.29	-54.89
CC1(C(=O)[O-])CC(NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300008250898	0	45	-1.0	-50.10	347.78	5.86	-44.24
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300008250899	0	36	-1.0	-52.73	324.00	5.16	-47.57
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C1	REAL300008250900	0	54	-1.0	-52.67	409.89	8.04	-44.63
COC1=CC=C(C=C(C)S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250901	0	43	-1.0	-51.71	353.35	4.73	-46.98
COC1=CSC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1OC	REAL300008250902	0	37	-1.0	-51.89	326.49	1.58	-50.31
CC1(C(=O)[O-])CC(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300008250903	0	44	-1.0	-48.59	342.51	4.37	-44.22
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250904	0	43	-1.0	-49.55	359.28	5.66	-43.89
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300008250905	0	36	-1.0	-51.59	328.99	4.65	-46.94
COC1=CC(F)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(F)=C1	REAL300008250906	0	36	-1.0	-52.08	317.07	3.40	-48.68
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300008250907	0	36	-1.0	-55.85	325.68	3.50	-52.35
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250908	0	38	-1.0	-52.91	324.60	3.79	-49.12
CN1C=CC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300008250909	0	39	-1.0	-57.00	333.91	5.63	-51.37
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300008250910	0	41	-1.0	-51.78	359.06	4.34	-47.44
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250911	0	45	-1.0	-51.40	367.77	6.10	-45.30
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300008250912	0	43	-1.0	-57.82	370.62	6.77	-51.05
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250913	0	38	-1.0	-54.69	316.59	5.82	-48.87
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300008250914	0	33	-1.0	-53.91	323.15	2.65	-51.26
C=C(C)COC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250915	0	43	-1.0	-50.52	363.87	5.48	-45.04
CCN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300008250916	0	42	-1.0	-52.83	355.21	4.90	-47.93
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300008250917	0	36	-1.0	-60.98	318.21	3.24	-57.74
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300008250918	0	38	-1.0	-51.45	342.83	6.64	-44.81
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300008250919	0	42	-1.0	-51.64	371.12	7.79	-43.85
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300008250920	0	31	-1.0	-50.62	303.01	2.14	-48.48
CCC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300008250921	0	38	-1.0	-49.48	339.23	5.73	-43.75
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250922	0	45	-1.0	-50.48	366.96	5.05	-45.43
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300008250923	0	29	-1.0	-48.75	290.44	3.37	-45.38
COCCC1=CC=C(OC)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250924	0	46	-1.0	-54.68	385.07	4.13	-50.55
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300008250925	0	38	-1.0	-51.56	339.04	6.72	-44.84
CN1N=C2CCOCC2=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250926	0	40	-1.0	-49.99	329.17	1.46	-48.53
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300008250927	0	39	-1.0	-49.99	325.31	6.13	-43.86
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC(C)(C)CC2)C1	REAL300008250928	0	43	-1.0	-50.85	329.65	4.18	-46.67
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300008250929	0	47	-1.0	-52.96	382.07	4.24	-48.72
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250930	0	35	-1.0	-49.66	323.31	1.52	-48.14
COC1=NC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300008250931	0	38	-1.0	-49.52	327.52	1.28	-48.24
CC(C)CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300008250932	0	41	-1.0	-55.12	343.13	4.02	-51.10
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250933	0	41	-1.0	-51.72	329.76	3.06	-48.66
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300008250934	0	42	-1.0	-55.28	340.64	1.90	-53.38
COCC1=CC(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=NO1	REAL300008250935	0	38	-1.0	-54.44	330.08	2.03	-52.41
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300008250936	0	37	-1.0	-52.55	331.79	6.01	-46.54
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)N=C1	REAL300008250937	0	43	-1.0	-51.33	354.03	4.26	-47.07
CC(C)N1N=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250938	0	38	-1.0	-47.59	315.69	2.88	-44.71
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300008250939	0	39	-1.0	-50.43	329.00	4.03	-46.40
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300008250940	0	39	-1.0	-53.61	328.29	4.48	-49.13
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300008250941	0	34	-1.0	-52.48	309.82	2.80	-49.68
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300008250942	0	37	-1.0	-59.43	315.33	4.24	-55.19
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=NN1C(C)C	REAL300008250943	0	41	-1.0	-57.51	343.50	3.65	-53.86
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300008250944	0	46	-1.0	-50.55	385.15	7.74	-42.81
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300008250945	0	37	-1.0	-53.43	312.33	4.66	-48.77
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CC=C(Br)CC2)C1	REAL300008250946	0	35	-1.0	-49.90	307.69	3.75	-46.15
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250947	0	40	-1.0	-56.61	336.01	-0.40	-57.01
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300008250948	0	39	-1.0	-49.24	311.42	1.98	-47.26
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC(C#N)CC2)C1	REAL300008250949	0	38	-1.0	-54.25	313.89	3.16	-51.09
COC1=CC=NC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250950	0	35	-1.0	-52.01	301.25	1.59	-50.42
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C(F)F)=C1	REAL300008250951	0	39	-1.0	-49.63	336.84	4.23	-45.40
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)N=C1	REAL300008250952	0	35	-1.0	-52.01	307.05	1.24	-50.77
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250953	0	38	-1.0	-50.04	345.44	1.98	-48.06
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300008250954	0	37	-1.0	-53.54	316.80	4.30	-49.24
CCOC1=CC=CN=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300008250955	0	38	-1.0	-55.76	320.12	3.49	-52.27
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300008250956	0	40	-1.0	-54.52	325.53	5.46	-49.06
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNC3=CC=CC=C23)C1	REAL300008250957	0	36	-1.0	-52.81	313.97	3.80	-49.01
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300008250958	0	34	-1.0	-52.40	304.02	3.15	-49.25
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300008250959	0	39	-1.0	-50.82	352.93	4.80	-46.02
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300008250960	0	45	-1.0	-53.79	371.27	5.98	-47.81
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008250961	0	42	-1.0	-49.44	368.03	9.13	-40.31
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008250962	0	42	-1.0	-53.99	369.02	9.14	-44.85
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300008250963	0	45	-1.0	-56.82	376.75	9.60	-47.22
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300008250964	0	46	-1.0	-56.43	392.65	9.06	-47.37
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300008250965	0	45	-1.0	-56.45	384.09	9.65	-46.80
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008250966	0	39	-1.0	-65.46	354.93	8.85	-56.61
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008250967	0	42	-1.0	-53.99	369.02	9.14	-44.85
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008250968	0	42	-1.0	-49.44	368.03	9.13	-40.31
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008250969	0	42	-1.0	-70.64	358.97	10.14	-60.50
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008250970	0	40	-1.0	-50.72	357.17	6.82	-43.90
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008250971	0	42	-1.0	-52.02	373.21	7.23	-44.79
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008250972	0	39	-1.0	-48.61	358.28	8.11	-40.50
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008250973	0	39	-1.0	-61.37	347.67	6.15	-55.22
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008250974	0	47	-1.0	-49.35	384.18	8.16	-41.19
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008250975	0	47	-1.0	-52.79	383.99	8.19	-44.60
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008250976	0	42	-1.0	-70.64	358.97	10.14	-60.50
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008250977	0	42	-1.0	-59.84	376.90	10.67	-49.17
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008250978	0	39	-1.0	-49.93	352.65	7.42	-42.51
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300008250979	0	42	-1.0	-51.49	372.46	8.00	-43.49
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)CCCC(=O)[O-]	REAL300008250980	0	41	-1.0	-52.70	351.61	7.61	-45.09
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008250981	0	44	-1.0	-62.36	365.11	8.17	-54.19
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008250982	0	45	-1.0	-58.83	391.70	9.87	-48.96
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008250983	0	47	-1.0	-52.79	383.99	8.19	-44.60
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008250984	0	45	-1.0	-61.42	391.73	9.86	-51.56
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008250985	0	39	-1.0	-49.93	352.65	7.42	-42.51
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008250986	0	46	-1.0	-48.97	399.13	9.40	-39.57
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)CCCC(=O)[O-]	REAL300008250987	0	41	-1.0	-52.70	351.61	7.61	-45.09
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008250988	0	39	-1.0	-50.92	362.59	8.18	-42.74
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300008250989	0	48	-1.0	-60.61	391.41	9.98	-50.63
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300008250990	0	45	-1.0	-75.32	386.27	10.11	-65.21
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300008250991	0	49	-1.0	-55.78	421.07	8.68	-47.10
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008250992	0	39	-1.0	-50.96	359.98	8.18	-42.78
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300008250993	0	45	-1.0	-57.97	379.19	9.84	-48.13
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008250994	0	45	-1.0	-49.98	390.23	9.90	-40.08
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008250995	0	39	-1.0	-49.98	351.01	7.10	-42.88
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008250996	0	45	-1.0	-52.81	391.19	9.92	-42.89
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300008250997	0	42	-1.0	-53.46	368.02	8.02	-45.44
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008250998	0	41	-1.0	-50.14	363.25	7.31	-42.83
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008250999	0	38	-1.0	-66.10	346.00	7.15	-58.95
C=CCN(CCC1=CC=CC=C1)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008251000	0	38	-1.0	-59.17	339.49	6.46	-52.71
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263514	0	36	-1.0	-42.57	303.21	2.44	-40.13
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263515	0	43	-1.0	-45.43	348.33	3.18	-42.25
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300008263516	0	43	-1.0	-46.39	378.06	-0.63	-47.02
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300008263517	0	40	-1.0	-52.38	329.23	3.75	-48.63
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008263518	0	40	-1.0	-52.96	347.08	4.08	-48.88
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008263519	0	43	-1.0	-48.31	363.87	0.83	-47.48
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263520	0	46	-1.0	-44.59	390.89	3.31	-41.28
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263521	0	46	-1.0	-47.46	403.01	3.55	-43.91
CCCN1C=NC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263522	0	38	-1.0	-52.50	334.04	3.04	-49.46
CO[C@H](C)[C@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300008263523	0	48	-1.0	-41.53	383.12	3.55	-37.98
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263524	0	39	-1.0	-44.66	355.02	2.60	-42.06
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008263525	0	40	-1.0	-45.16	342.86	-0.01	-45.17
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263526	0	36	-1.0	-44.27	335.60	2.16	-42.11
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008263527	0	36	-1.0	-41.68	310.27	2.62	-39.06
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1[N+](=O)[O-]	REAL300008263528	0	38	-1.0	-44.62	342.25	3.02	-41.60
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300008263529	0	38	-1.0	-41.26	338.36	4.13	-37.13
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300008263530	0	38	-1.0	-41.16	334.82	4.03	-37.13
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008263531	0	38	-1.0	-41.95	339.31	3.77	-38.18
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300008263532	0	41	-1.0	-44.06	333.24	4.17	-39.89
CCOC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263533	0	39	-1.0	-47.76	338.07	2.50	-45.26
COCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=N1	REAL300008263534	0	39	-1.0	-46.79	344.55	-0.14	-46.93
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008263535	0	39	-1.0	-48.67	350.82	2.83	-45.84
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008263536	0	40	-1.0	-44.10	355.78	4.36	-39.74
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008263537	0	37	-1.0	-48.95	325.99	2.61	-46.34
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008263538	0	35	-1.0	-44.66	330.33	3.57	-41.09
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008263539	0	35	-1.0	-47.09	325.83	3.51	-43.58
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008263540	0	39	-1.0	-62.68	349.40	0.11	-62.57
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300008263541	0	35	-1.0	-43.65	329.18	3.57	-40.08
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300008263542	0	35	-1.0	-43.13	316.84	3.50	-39.63
COCC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263543	0	39	-1.0	-45.67	328.46	2.29	-43.38
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1Br	REAL300008263544	0	36	-1.0	-44.60	336.65	2.25	-42.35
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1Cl	REAL300008263545	0	40	-1.0	-44.05	344.47	1.94	-42.11
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008263546	0	35	-1.0	-48.59	330.67	1.36	-47.23
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008263547	0	35	-1.0	-48.09	322.73	1.14	-46.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008263548	0	43	-1.0	-47.33	362.24	3.50	-43.83
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008263549	0	35	-1.0	-48.96	325.95	1.33	-47.63
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263550	0	44	-1.0	-54.61	390.37	1.49	-53.12
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300008263551	0	36	-1.0	-46.27	317.28	3.22	-43.05
CCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263552	0	38	-1.0	-46.31	329.61	3.71	-42.60
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008263553	0	40	-1.0	-49.90	365.68	-0.95	-50.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008263554	0	43	-1.0	-53.58	360.14	2.61	-50.97
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1F	REAL300008263555	0	43	-1.0	-47.80	385.23	-0.09	-47.89
CCC1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263556	0	41	-1.0	-45.81	351.93	4.40	-41.41
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300008263557	0	35	-1.0	-44.78	320.77	2.83	-41.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008263558	0	47	-1.0	-48.47	400.47	2.72	-45.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008263559	0	44	-1.0	-51.28	373.86	2.65	-48.63
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263560	0	41	-1.0	-55.69	368.88	0.70	-54.99
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263561	0	42	-1.0	-48.92	357.51	-0.11	-49.03
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300008263562	0	41	-1.0	-46.76	347.46	4.16	-42.60
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1Br	REAL300008263563	0	39	-1.0	-46.33	358.48	3.18	-43.15
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C1=CC=CC=C1	REAL300008263564	0	46	-1.0	-49.29	392.98	5.30	-43.99
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008263565	0	36	-1.0	-42.00	322.51	2.78	-39.22
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263566	0	39	-1.0	-47.01	352.25	2.78	-44.23
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008263567	0	46	-1.0	-48.92	399.72	4.23	-44.69
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263568	0	39	-1.0	-43.45	336.27	3.56	-39.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300008263569	0	44	-1.0	-47.67	375.54	3.78	-43.89
CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263570	0	39	-1.0	-49.69	349.14	-3.01	-52.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008263571	0	38	-1.0	-50.22	337.12	3.86	-46.36
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008263572	0	35	-1.0	-44.94	342.11	4.24	-40.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008263573	0	38	-1.0	-44.92	352.10	5.12	-39.80
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008263574	0	35	-1.0	-47.47	340.77	4.13	-43.34
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008263575	0	38	-1.0	-47.66	339.36	4.95	-42.71
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008263576	0	38	-1.0	-45.11	347.70	4.06	-41.05
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008263577	0	43	-1.0	-46.72	366.44	3.58	-43.14
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008263578	0	46	-1.0	-43.13	380.77	5.75	-37.38
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008263579	0	45	-1.0	-50.88	393.26	3.81	-47.07
CO[C@H](C)[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008263580	0	43	-1.0	-48.36	385.28	-0.70	-49.06
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300008263581	0	41	-1.0	-47.63	355.58	5.23	-42.40
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300008263582	0	43	-1.0	-45.42	359.41	2.89	-42.53
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008263583	0	38	-1.0	-45.79	345.70	4.17	-41.62
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008263584	0	37	-1.0	-46.92	307.50	-0.46	-47.38
CO[C@H](C)[C@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008263585	0	45	-1.0	-45.91	370.03	2.71	-43.20
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1Cl	REAL300008263586	0	39	-1.0	-43.95	344.17	2.82	-41.13
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008263587	0	41	-1.0	-53.66	369.74	0.47	-53.19
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300008263588	0	36	-1.0	-45.10	340.01	3.71	-41.39
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263589	0	44	-1.0	-49.43	362.95	2.75	-46.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008263590	0	40	-1.0	-48.95	357.86	0.84	-48.11
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C12	REAL300008263591	0	39	-1.0	-48.36	347.95	-0.01	-48.37
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008263592	0	43	-1.0	-49.31	383.28	2.10	-47.21
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300008263593	0	37	-1.0	-46.95	329.16	1.38	-45.57
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(CC)=C1	REAL300008263594	0	50	-1.0	-43.88	380.20	6.63	-37.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300008263595	0	39	-1.0	-59.04	326.96	2.81	-56.23
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008263596	0	38	-1.0	-43.62	355.31	0.37	-43.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008263597	0	41	-1.0	-46.85	351.67	6.01	-40.84
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)=C1F	REAL300008263598	0	39	-1.0	-45.85	330.09	2.35	-43.50
CO[C@H](C)[C@H](NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300008263599	0	44	-1.0	-44.03	335.12	3.75	-40.28
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008263600	0	41	-1.0	-48.52	341.77	3.60	-44.92
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008263602	0	40	-1.0	-49.63	356.16	3.56	-46.07
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263603	0	39	-1.0	-44.02	358.52	2.51	-41.51
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300008263604	0	38	-1.0	-48.47	334.73	3.65	-44.82
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008263606	0	32	-1.0	-40.91	317.38	2.45	-38.46
CO[C@H](C)[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008263607	0	45	-1.0	-45.64	374.04	5.53	-40.11
CO[C@H](C)[C@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008263608	0	43	-1.0	-46.22	364.18	2.92	-43.30
CO[C@H](C)[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008263609	0	41	-1.0	-50.46	346.44	-0.59	-51.05
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008263610	0	35	-1.0	-48.22	322.90	2.73	-45.49
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300008263611	0	37	-1.0	-45.49	334.52	1.48	-44.01
CO[C@H](C)[C@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300008263612	0	42	-1.0	-43.47	330.99	3.58	-39.89
COC1=CC=C2C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CCC2=C1	REAL300008263613	0	44	-1.0	-48.04	370.55	3.98	-44.06
CO[C@H](C)[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008263614	0	43	-1.0	-58.32	358.53	-0.64	-58.96
CO[C@H](C)[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300008263615	0	41	-1.0	-48.43	337.67	3.38	-45.05
CO[C@H](C)[C@H](NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300008263616	0	39	-1.0	-45.21	332.46	4.27	-40.94
CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1[N+](=O)[O-]	REAL300008263617	0	40	-1.0	-48.85	349.27	4.12	-44.73
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008263618	0	32	-1.0	-42.89	303.44	2.80	-40.09
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008263619	0	32	-1.0	-42.86	308.01	2.90	-39.96
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008263620	0	34	-1.0	-42.02	314.94	2.95	-39.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300008263621	0	38	-1.0	-48.05	330.75	4.53	-43.52
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008263622	0	34	-1.0	-43.68	313.02	2.91	-40.77
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300008263623	0	37	-1.0	-42.69	326.43	3.75	-38.94
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263624	0	36	-1.0	-45.08	314.31	1.54	-43.54
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008263625	0	34	-1.0	-50.88	297.92	3.62	-47.26
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263626	0	39	-1.0	-42.91	340.27	3.55	-39.36
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263627	0	39	-1.0	-45.52	337.81	2.51	-43.01
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300008263628	0	44	-1.0	-45.53	344.96	4.89	-40.64
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300008263629	0	41	-1.0	-44.85	332.41	4.46	-40.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300008263630	0	47	-1.0	-45.31	374.43	5.40	-39.91
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008263631	0	35	-1.0	-43.36	325.44	3.28	-40.08
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008263632	0	35	-1.0	-45.49	305.64	3.64	-41.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008263633	0	32	-1.0	-43.70	303.44	2.80	-40.90
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300008263634	0	37	-1.0	-46.49	329.22	2.79	-43.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC=C1C)C(=O)[O-]	REAL300008263635	0	38	-1.0	-44.15	317.50	3.69	-40.46
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300008263636	0	38	-1.0	-47.57	325.13	3.48	-44.09
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C=C1C)C(=O)[O-]	REAL300008263637	0	38	-1.0	-45.24	321.03	3.82	-41.42
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1[N+](=O)[O-]	REAL300008263638	0	38	-1.0	-46.18	340.32	2.98	-43.20
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300008263639	0	44	-1.0	-46.70	362.93	4.60	-42.10
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300008263640	0	41	-1.0	-45.16	345.04	4.17	-40.99
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008263641	0	43	-1.0	-51.29	381.48	0.32	-50.97
CCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263642	0	41	-1.0	-45.98	351.10	4.50	-41.48
COC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263643	0	36	-1.0	-46.13	298.80	2.06	-44.07
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1Br	REAL300008263644	0	36	-1.0	-45.21	334.72	2.21	-43.00
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300008263645	0	35	-1.0	-43.59	326.22	3.46	-40.13
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300008263646	0	46	-1.0	-47.40	396.83	5.81	-41.59
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008263647	0	36	-1.0	-42.94	332.72	2.07	-40.87
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300008263648	0	47	-1.0	-48.90	360.39	5.36	-43.54
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008263649	0	41	-1.0	-50.08	347.71	2.20	-47.88
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263650	0	48	-1.0	-46.25	373.00	4.69	-41.56
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008263651	0	37	-1.0	-48.88	330.92	3.47	-45.41
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263652	0	36	-1.0	-42.81	320.13	2.69	-40.12
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300008263653	0	50	-1.0	-46.23	389.42	6.17	-40.06
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008263654	0	35	-1.0	-41.82	325.20	3.29	-38.53
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300008263655	0	42	-1.0	-46.64	347.53	4.73	-41.91
COC1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263656	0	40	-1.0	-46.79	328.30	1.37	-45.42
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1OC	REAL300008263657	0	40	-1.0	-47.79	343.54	1.44	-46.35
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300008263658	0	39	-1.0	-47.15	330.35	4.15	-43.00
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300008263659	0	40	-1.0	-46.11	335.26	4.53	-41.58
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008263660	0	37	-1.0	-47.77	322.64	2.13	-45.64
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300008263661	0	47	-1.0	-45.13	389.93	5.80	-39.33
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1OCC	REAL300008263662	0	46	-1.0	-48.26	387.25	3.29	-44.97
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008263663	0	37	-1.0	-51.67	340.95	-2.77	-54.44
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300008263664	0	40	-1.0	-41.76	344.69	4.22	-37.54
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300008263665	0	40	-1.0	-52.46	331.17	3.93	-48.53
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C([N+](=O)[O-])=C1	REAL300008263666	0	38	-1.0	-51.84	333.73	3.07	-48.77
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263667	0	36	-1.0	-43.01	315.62	2.59	-40.42
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008263668	0	37	-1.0	-52.21	340.90	-2.76	-54.97
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008263669	0	44	-1.0	-53.71	395.67	0.13	-53.58
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300008263670	0	40	-1.0	-49.51	342.75	3.59	-45.92
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008263671	0	40	-1.0	-52.68	341.43	5.04	-47.64
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008263672	0	43	-1.0	-52.43	383.04	0.24	-52.19
CO[C@H](C)[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008263673	0	44	-1.0	-55.44	370.73	1.59	-53.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008263674	0	38	-1.0	-55.28	345.50	-0.24	-55.52
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008263675	0	42	-1.0	-47.37	349.69	6.06	-41.31
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008263676	0	38	-1.0	-48.10	322.66	4.45	-43.65
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008263677	0	42	-1.0	-47.08	358.99	5.65	-41.43
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300008263678	0	35	-1.0	-42.53	304.62	3.15	-39.38
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008263679	0	46	-1.0	-47.38	376.14	4.31	-43.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008263680	0	33	-1.0	-48.95	298.31	0.64	-48.31
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263681	0	36	-1.0	-42.51	313.54	2.90	-39.61
COC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263682	0	36	-1.0	-47.69	316.21	1.58	-46.11
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263683	0	47	-1.0	-46.75	377.16	5.07	-41.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300008263684	0	35	-1.0	-43.40	320.27	3.35	-40.05
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300008263685	0	42	-1.0	-47.01	355.98	3.13	-43.88
CCC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263686	0	38	-1.0	-44.28	315.48	3.94	-40.34
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300008263687	0	33	-1.0	-52.20	290.64	0.93	-51.27
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008263688	0	37	-1.0	-46.58	342.81	4.76	-41.82
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008263689	0	37	-1.0	-52.27	310.78	3.35	-48.92
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008263690	0	43	-1.0	-50.48	392.22	5.67	-44.81
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263691	0	38	-1.0	-41.88	327.12	2.74	-39.14
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1F	REAL300008263692	0	36	-1.0	-46.27	320.52	1.61	-44.66
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300008263693	0	35	-1.0	-43.89	311.53	2.95	-40.94
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008263694	0	43	-1.0	-44.87	392.12	5.64	-39.23
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C2)C=C1	REAL300008263695	0	47	-1.0	-45.89	402.97	4.38	-41.51
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300008263696	0	59	-1.0	-45.74	445.39	8.24	-37.50
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300008263697	0	48	-1.0	-50.34	395.45	5.54	-44.80
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008263698	0	35	-1.0	-42.05	340.96	3.93	-38.12
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C2=CC=CC=C12	REAL300008263699	0	42	-1.0	-50.89	356.69	3.96	-46.93
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008263700	0	37	-1.0	-40.73	326.15	3.75	-36.98
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008263701	0	37	-1.0	-44.90	319.05	3.55	-41.35
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263702	0	40	-1.0	-42.15	343.63	4.61	-37.54
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300008263703	0	44	-1.0	-45.96	367.88	4.96	-41.00
COCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263704	0	42	-1.0	-46.12	363.27	2.79	-43.33
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300008263705	0	35	-1.0	-41.33	312.83	3.55	-37.78
COC1=C(C)C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300008263706	0	42	-1.0	-46.85	358.38	3.12	-43.73
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300008263707	0	48	-1.0	-45.11	398.38	4.62	-40.49
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008263708	0	46	-1.0	-44.98	378.86	4.43	-40.55
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300008263709	0	45	-1.0	-45.30	379.41	4.01	-41.29
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263710	0	42	-1.0	-45.85	359.55	3.30	-42.55
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1Cl	REAL300008263711	0	36	-1.0	-45.25	330.33	2.10	-43.15
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300008263712	0	36	-1.0	-45.71	340.08	2.37	-43.34
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300008263713	0	39	-1.0	-45.73	334.38	2.28	-43.45
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300008263714	0	45	-1.0	-46.79	376.08	3.87	-42.92
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)=C1	REAL300008263715	0	39	-1.0	-45.28	327.37	2.38	-42.90
COCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263716	0	43	-1.0	-47.50	371.68	1.77	-45.73
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300008263717	0	35	-1.0	-48.35	313.31	2.97	-45.38
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008263718	0	35	-1.0	-41.82	320.93	3.75	-38.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300008263719	0	40	-1.0	-51.46	332.67	5.02	-46.44
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300008263720	0	41	-1.0	-46.54	356.78	0.55	-45.99
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300008263721	0	44	-1.0	-50.84	395.66	0.13	-50.71
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300008263722	0	34	-1.0	-45.57	310.98	0.88	-44.69
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300008263723	0	35	-1.0	-45.46	318.64	3.48	-41.98
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1F	REAL300008263724	0	36	-1.0	-45.04	322.45	1.65	-43.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008263725	0	42	-1.0	-48.62	359.01	5.65	-42.97
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008263726	0	35	-1.0	-41.47	342.51	3.97	-37.50
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300008263727	0	38	-1.0	-48.59	366.11	2.83	-45.76
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300008263728	0	52	-1.0	-46.04	421.28	5.90	-40.14
CNC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CN1C	REAL300008263729	0	40	-1.0	-49.41	350.90	-0.07	-49.48
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)=C1	REAL300008263730	0	42	-1.0	-45.28	340.40	3.07	-42.21
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008263731	0	43	-1.0	-50.13	370.95	6.40	-43.73
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300008263732	0	42	-1.0	-45.57	348.67	3.15	-42.42
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300008263733	0	40	-1.0	-48.88	330.21	3.41	-45.47
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300008263734	0	37	-1.0	-48.26	317.99	2.66	-45.60
CCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C([N+](=O)[O-])=N1	REAL300008263735	0	37	-1.0	-56.65	337.24	3.16	-53.49
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008263736	0	39	-1.0	-44.93	357.63	2.97	-41.96
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008263737	0	46	-1.0	-47.36	397.96	5.56	-41.80
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263738	0	40	-1.0	-51.49	349.80	3.55	-47.94
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008263739	0	42	-1.0	-49.19	372.45	3.85	-45.34
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300008263740	0	35	-1.0	-62.12	314.41	1.48	-60.64
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300008263741	0	38	-1.0	-46.46	330.45	3.63	-42.83
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008263742	0	40	-1.0	-51.75	360.03	-1.00	-52.75
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300008263743	0	35	-1.0	-45.08	315.45	3.03	-42.05
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1C)C(=O)[O-]	REAL300008263744	0	38	-1.0	-46.21	323.38	3.60	-42.61
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C2=CC=CC=C12	REAL300008263745	0	45	-1.0	-48.54	372.87	4.74	-43.80
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263746	0	42	-1.0	-46.21	337.56	3.82	-42.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008263747	0	37	-1.0	-55.36	335.04	2.47	-52.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008263748	0	39	-1.0	-50.19	345.37	3.37	-46.82
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263749	0	46	-1.0	-47.06	393.29	2.75	-44.31
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263750	0	48	-1.0	-45.67	402.55	4.86	-40.81
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300008263751	0	42	-1.0	-45.89	337.00	4.80	-41.09
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300008263752	0	36	-1.0	-42.23	341.19	3.70	-38.53
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300008263753	0	37	-1.0	-45.66	320.78	1.54	-44.12
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008263754	0	40	-1.0	-55.00	345.95	3.44	-51.56
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008263755	0	37	-1.0	-45.93	334.74	2.47	-43.46
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)=C1	REAL300008263756	0	42	-1.0	-45.26	349.23	3.31	-41.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008263757	0	36	-1.0	-45.65	305.81	2.26	-43.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300008263758	0	36	-1.0	-44.76	325.01	3.26	-41.50
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008263759	0	38	-1.0	-44.93	347.77	3.95	-40.98
CCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)N=C1C	REAL300008263760	0	38	-1.0	-55.62	332.28	2.08	-53.54
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008263761	0	38	-1.0	-49.76	329.02	1.93	-47.83
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300008263762	0	37	-1.0	-48.73	322.61	2.76	-45.97
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300008263763	0	44	-1.0	-47.91	374.74	4.13	-43.78
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300008263764	0	38	-1.0	-43.25	339.31	3.78	-39.47
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300008263765	0	38	-1.0	-47.29	359.54	3.02	-44.27
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008263766	0	41	-1.0	-48.95	351.56	3.88	-45.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300008263767	0	40	-1.0	-47.57	351.11	1.97	-45.60
COCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263768	0	39	-1.0	-46.68	341.78	2.00	-44.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008263769	0	43	-1.0	-51.90	363.35	3.49	-48.41
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008263770	0	35	-1.0	-47.25	322.60	3.40	-43.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300008263771	0	40	-1.0	-49.52	341.76	2.82	-46.70
CO[C@H](C)[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008263772	0	35	-1.0	-48.09	335.06	3.84	-44.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008263773	0	40	-1.0	-47.58	343.64	2.87	-44.71
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263774	0	44	-1.0	-43.31	337.37	5.20	-38.11
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300008263775	0	44	-1.0	-43.68	368.84	1.11	-42.57
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300008263776	0	43	-1.0	-45.79	390.21	5.60	-40.19
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008263777	0	38	-1.0	-50.22	352.90	2.97	-47.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300008263778	0	38	-1.0	-47.23	369.86	3.48	-43.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300008263779	0	41	-1.0	-49.75	361.19	1.32	-48.43
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008263780	0	35	-1.0	-49.29	321.58	1.15	-48.14
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008263781	0	35	-1.0	-52.93	316.48	2.66	-50.27
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300008263782	0	35	-1.0	-46.69	312.75	0.94	-45.75
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=N1	REAL300008263783	0	35	-1.0	-45.47	313.64	-1.02	-46.49
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2CCCN21)C(=O)[O-]	REAL300008263784	0	36	-1.0	-52.38	314.45	1.73	-50.65
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300008263785	0	40	-1.0	-48.40	340.42	2.91	-45.49
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300008263786	0	42	-1.0	-49.87	368.44	4.07	-45.80
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008263787	0	40	-1.0	-46.90	360.49	3.40	-43.50
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300008263788	0	37	-1.0	-42.49	330.93	3.46	-39.03
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=N1	REAL300008263789	0	43	-1.0	-55.98	374.45	3.04	-52.94
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008263790	0	34	-1.0	-47.41	316.79	1.75	-45.66
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300008263791	0	40	-1.0	-48.59	338.20	2.68	-45.91
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300008263792	0	41	-1.0	-49.40	354.02	5.22	-44.18
COC1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)SC=C1	REAL300008263793	0	33	-1.0	-49.15	307.03	1.31	-47.84
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300008263794	0	40	-1.0	-47.61	337.31	2.66	-44.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300008263795	0	37	-1.0	-49.40	310.02	2.76	-46.64
CO[C@H](C)[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300008263796	0	37	-1.0	-49.41	332.39	2.30	-47.11
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300008263797	0	37	-1.0	-48.25	320.68	2.10	-46.15
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008263798	0	38	-1.0	-43.68	347.27	4.26	-39.42
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008263799	0	44	-1.0	-48.68	360.93	2.83	-45.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008263800	0	34	-1.0	-43.48	321.19	1.53	-41.95
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263801	0	40	-1.0	-53.30	339.91	2.82	-50.48
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008263802	0	40	-1.0	-44.60	340.38	4.18	-40.42
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300008263803	0	40	-1.0	-51.93	343.06	5.28	-46.65
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300008263804	0	40	-1.0	-43.98	343.33	4.29	-39.69
COC1=CC=C(CCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263805	0	42	-1.0	-44.98	357.05	2.99	-41.99
COC1=CN=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263806	0	35	-1.0	-46.06	309.39	-0.28	-46.34
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008263807	0	41	-1.0	-46.73	359.71	3.93	-42.80
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300008263808	0	39	-1.0	-45.95	335.69	4.39	-41.56
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC(OC)=C1	REAL300008263809	0	40	-1.0	-49.07	343.78	0.85	-48.22
CO[C@H](C)[C@H](NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300008263810	0	44	-1.0	-44.03	351.33	3.92	-40.11
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300008263811	0	38	-1.0	-44.11	323.90	1.75	-42.36
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300008263812	0	35	-1.0	-49.23	300.52	2.88	-46.35
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1Cl	REAL300008263813	0	36	-1.0	-44.63	332.26	2.14	-42.49
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300008263814	0	40	-1.0	-54.31	338.51	4.03	-50.28
CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1CC	REAL300008263815	0	44	-1.0	-47.74	363.86	4.85	-42.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008263816	0	40	-1.0	-42.62	341.75	4.51	-38.11
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263817	0	42	-1.0	-50.40	345.37	3.83	-46.57
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300008263818	0	35	-1.0	-45.57	317.02	2.62	-42.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300008263819	0	33	-1.0	-43.30	309.57	0.13	-43.17
CCC1=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S1	REAL300008263820	0	34	-1.0	-44.88	316.73	0.87	-44.01
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300008263821	0	39	-1.0	-48.71	334.15	1.97	-46.74
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300008263822	0	35	-1.0	-46.48	316.83	2.91	-43.57
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300008263823	0	38	-1.0	-50.94	330.23	4.08	-46.86
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300008263824	0	35	-1.0	-50.39	312.33	0.90	-49.49
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300008263825	0	38	-1.0	-43.19	331.84	3.58	-39.61
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300008263826	0	39	-1.0	-52.22	342.72	2.02	-50.20
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300008263827	0	34	-1.0	-49.20	302.29	2.09	-47.11
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008263828	0	35	-1.0	-42.81	325.77	3.48	-39.33
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300008263829	0	35	-1.0	-43.59	322.18	3.38	-40.21
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300008263830	0	38	-1.0	-53.60	334.56	3.28	-50.32
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300008263831	0	41	-1.0	-48.63	372.96	3.75	-44.88
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300008263832	0	40	-1.0	-50.05	336.46	3.48	-46.57
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300008263833	0	39	-1.0	-50.46	351.83	0.14	-50.32
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300008263834	0	41	-1.0	-53.40	335.12	2.91	-50.49
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300008263835	0	35	-1.0	-43.87	325.93	3.42	-40.45
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263836	0	45	-1.0	-47.12	374.83	3.90	-43.22
COC(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1CCCC1	REAL300008263837	0	45	-1.0	-44.35	362.10	2.57	-41.78
COC(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1CCCCC1	REAL300008263838	0	48	-1.0	-44.03	374.96	3.39	-40.64
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300008263839	0	46	-1.0	-48.97	404.20	5.63	-43.34
CCOC(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1CC1	REAL300008263840	0	42	-1.0	-45.50	349.33	2.55	-42.95
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C(C)C	REAL300008263841	0	51	-1.0	-46.13	416.28	5.29	-40.84
CCC1=NC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CN1CC1CC1	REAL300008263842	0	45	-1.0	-55.86	385.17	4.25	-51.61
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300008263843	0	35	-1.0	-46.17	326.46	1.79	-44.38
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300008263844	0	40	-1.0	-46.09	343.17	4.41	-41.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300008263845	0	39	-1.0	-45.38	329.07	2.04	-43.34
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300008263846	0	45	-1.0	-46.72	389.15	4.56	-42.16
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300008263847	0	35	-1.0	-44.23	328.32	0.90	-43.33
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008263848	0	43	-1.0	-48.46	385.48	6.37	-42.09
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300008263849	0	42	-1.0	-52.64	353.34	5.68	-46.96
CCC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C(C)C=C1OC	REAL300008263850	0	45	-1.0	-44.34	365.69	3.62	-40.72
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300008263851	0	38	-1.0	-41.55	357.68	4.16	-37.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008263852	1	34	-1.0	-52.30	308.08	1.03	-51.27
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300008263853	0	41	-1.0	-50.46	337.91	5.40	-45.06
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300008263854	0	41	-1.0	-46.86	355.89	0.83	-46.03
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263855	0	36	-1.0	-48.23	318.33	2.34	-45.89
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C(C)C	REAL300008263856	0	48	-1.0	-46.44	394.78	4.49	-41.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300008263857	0	44	-1.0	-45.07	364.93	4.53	-40.54
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300008263858	0	51	-1.0	-44.30	407.91	6.71	-37.59
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300008263859	0	42	-1.0	-47.74	342.11	2.21	-45.53
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300008263860	0	44	-1.0	-46.54	347.55	2.70	-43.84
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300008263861	0	42	-1.0	-50.09	354.12	2.64	-47.45
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300008263862	0	35	-1.0	-43.63	317.02	1.11	-42.52
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263863	0	39	-1.0	-48.55	343.63	2.39	-46.16
C=CCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263864	0	42	-1.0	-45.12	363.67	5.07	-40.05
CCC1=NN(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263865	0	38	-1.0	-48.73	331.95	1.32	-47.41
CCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C(C)C	REAL300008263866	0	54	-1.0	-46.72	439.67	6.11	-40.61
CO[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008263867	0	36	-1.0	-44.05	333.44	3.96	-40.09
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C(C)(C)C	REAL300008263868	0	54	-1.0	-47.99	430.73	6.00	-41.99
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1CC	REAL300008263869	0	48	-1.0	-45.75	399.36	4.75	-41.00
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300008263870	0	38	-1.0	-43.06	329.57	4.34	-38.72
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300008263871	0	38	-1.0	-42.75	346.14	4.15	-38.60
CO[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008263872	0	36	-1.0	-46.81	332.62	3.90	-42.91
CCCC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263873	0	41	-1.0	-43.77	335.57	4.66	-39.11
COC1=NC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263874	0	35	-1.0	-48.14	294.65	-0.27	-48.41
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008263875	0	48	-1.0	-50.08	404.46	5.19	-44.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300008263876	0	37	-1.0	-51.08	322.71	2.83	-48.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300008263877	0	35	-1.0	-43.80	307.44	2.85	-40.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300008263878	0	39	-1.0	-48.52	334.70	1.93	-46.59
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300008263879	0	39	-1.0	-46.29	328.78	2.00	-44.29
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300008263880	0	42	-1.0	-44.97	351.66	2.75	-42.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300008263881	0	43	-1.0	-47.01	345.46	0.61	-46.40
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300008263882	0	38	-1.0	-48.84	353.56	3.19	-45.65
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2CCCCN21)C(=O)[O-]	REAL300008263883	0	39	-1.0	-56.93	325.07	2.04	-54.89
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300008263884	0	48	-1.0	-45.02	381.49	4.29	-40.73
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300008263885	0	42	-1.0	-45.78	360.22	3.67	-42.11
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300008263886	0	40	-1.0	-51.06	342.47	2.83	-48.23
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008263887	0	40	-1.0	-46.32	355.39	1.95	-44.37
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300008263888	0	38	-1.0	-50.19	336.93	2.80	-47.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300008263889	0	37	-1.0	-59.85	327.08	1.89	-57.96
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300008263890	0	33	-1.0	-42.09	299.68	1.03	-41.06
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300008263891	0	35	-1.0	-48.98	325.31	3.73	-45.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300008263892	0	39	-1.0	-46.77	336.60	1.92	-44.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300008263893	0	41	-1.0	-44.27	336.65	4.49	-39.78
COC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1OC	REAL300008263894	0	40	-1.0	-51.42	343.33	2.13	-49.29
CO[C@H](C)[C@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300008263895	0	35	-1.0	-47.67	302.05	2.04	-45.63
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300008263896	0	45	-1.0	-48.77	369.70	3.02	-45.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300008263897	0	44	-1.0	-49.42	360.13	2.74	-46.68
CCCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)=N1	REAL300008263898	0	44	-1.0	-48.52	371.95	2.82	-45.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300008263899	0	39	-1.0	-49.88	343.10	2.16	-47.72
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300008263900	0	36	-1.0	-48.80	325.95	1.86	-46.94
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300008263901	0	37	-1.0	-58.57	318.21	0.67	-57.90
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300008263902	0	38	-1.0	-43.43	339.86	4.15	-39.28
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300008263903	0	38	-1.0	-41.90	349.13	3.27	-38.63
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300008263904	0	42	-1.0	-49.22	358.18	2.63	-46.59
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300008263905	0	50	-1.0	-45.94	396.03	6.15	-39.79
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300008263906	0	38	-1.0	-42.21	356.01	4.11	-38.10
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300008263907	0	42	-1.0	-49.22	360.71	2.93	-46.29
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300008263908	0	36	-1.0	-46.79	323.45	3.47	-43.32
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300008263909	0	43	-1.0	-43.75	367.21	5.00	-38.75
COC1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C2=NC=CC=C2C=C1	REAL300008263910	0	41	-1.0	-58.86	349.35	3.54	-55.32
CCCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263911	0	41	-1.0	-46.17	351.10	4.49	-41.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300008263912	0	39	-1.0	-49.09	331.39	1.85	-47.24
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC=C1C)C(=O)[O-]	REAL300008263913	0	38	-1.0	-45.86	313.55	3.88	-41.98
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300008263914	0	41	-1.0	-44.66	327.52	2.06	-42.60
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300008263915	0	41	-1.0	-48.52	351.21	1.99	-46.53
CO[C@H](C)[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300008263916	0	39	-1.0	-46.75	333.67	1.27	-45.48
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008263917	0	37	-1.0	-43.25	337.64	2.09	-41.16
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008263918	0	35	-1.0	-41.44	332.18	3.36	-38.08
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C)=C1C)C(=O)[O-]	REAL300008263919	0	38	-1.0	-44.27	313.96	3.60	-40.67
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263920	0	43	-1.0	-50.20	369.38	4.28	-45.92
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300008263921	0	43	-1.0	-47.99	355.85	5.31	-42.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300008263922	0	38	-1.0	-43.45	343.30	3.17	-40.28
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300008263923	0	32	-1.0	-43.63	301.12	2.51	-41.12
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300008263924	0	39	-1.0	-45.62	334.02	4.35	-41.27
COC1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=CS1	REAL300008263925	0	33	-1.0	-44.08	295.77	1.01	-43.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300008263926	0	42	-1.0	-46.44	344.25	2.67	-43.77
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263927	0	41	-1.0	-45.07	344.76	2.12	-42.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300008263928	0	46	-1.0	-48.77	376.63	1.38	-47.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300008263929	0	38	-1.0	-46.27	338.01	3.77	-42.50
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300008263930	0	36	-1.0	-47.92	325.97	1.86	-46.06
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S1	REAL300008263931	0	33	-1.0	-45.06	310.50	0.73	-44.33
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008263932	0	43	-1.0	-56.49	353.62	4.36	-52.13
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300008263933	0	35	-1.0	-45.78	317.47	0.95	-44.83
CCOCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263934	0	42	-1.0	-45.57	361.72	2.93	-42.64
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300008263935	0	42	-1.0	-49.19	364.49	3.40	-45.79
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300008263936	0	45	-1.0	-48.14	371.19	3.20	-44.94
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008263937	0	43	-1.0	-47.30	375.40	5.13	-42.17
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300008263938	0	35	-1.0	-43.72	303.62	3.24	-40.48
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300008263939	0	38	-1.0	-44.51	344.42	4.02	-40.49
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300008263940	0	41	-1.0	-50.14	345.52	5.16	-44.98
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008263941	0	42	-1.0	-52.40	357.74	3.61	-48.79
CO[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300008263942	0	36	-1.0	-45.17	323.12	3.51	-41.66
CO[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008263943	0	36	-1.0	-44.04	338.00	4.06	-39.98
CO[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008263944	0	36	-1.0	-44.84	338.00	4.07	-40.77
CO[C@H](C)[C@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300008263945	0	37	-1.0	-43.30	326.31	-3.91	-47.21
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2C=CC=CN21)C(=O)[O-]	REAL300008263946	0	35	-1.0	-51.57	310.12	2.58	-48.99
CO[C@H](C)[C@H](NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300008263947	0	38	-1.0	-40.04	315.82	2.55	-37.49
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300008263948	0	34	-1.0	-48.82	317.66	1.68	-47.14
CO[C@H](C)[C@H](NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300008263949	0	40	-1.0	-48.47	340.11	-0.56	-49.03
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008263950	0	41	-1.0	-54.45	360.74	1.29	-53.16
CO[C@H](C)[C@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300008263951	0	49	-1.0	-44.96	362.29	5.12	-39.84
CO[C@H](C)[C@H](NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300008263952	0	42	-1.0	-45.90	345.44	1.73	-44.17
CO[C@H](C)[C@H](NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300008263953	0	35	-1.0	-46.30	313.29	-2.13	-48.43
CO[C@H](C)[C@H](NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300008263954	0	40	-1.0	-48.97	324.37	2.70	-46.27
CO[C@H](C)[C@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300008263955	0	40	-1.0	-55.68	352.78	-1.00	-56.68
CO[C@H](C)[C@H](NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300008263956	0	45	-1.0	-45.72	360.01	2.38	-43.34
CO[C@H](C)[C@H](NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300008263957	0	42	-1.0	-42.61	352.81	4.47	-38.14
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008263958	0	36	-1.0	-50.42	330.28	1.23	-49.19
CO[C@H](C)[C@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300008263959	0	42	-1.0	-44.19	367.22	5.11	-39.08
CO[C@H](C)[C@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300008263960	0	41	-1.0	-44.98	337.90	-0.32	-45.30
CO[C@H](C)[C@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300008263961	0	45	-1.0	-43.12	349.87	4.18	-38.94
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300008263962	0	36	-1.0	-46.99	330.53	3.59	-43.40
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300008263963	0	54	-1.0	-49.16	416.41	6.46	-42.70
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300008263964	0	43	-1.0	-45.80	354.74	3.06	-42.74
COC1=CSC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1OC	REAL300008263965	0	37	-1.0	-41.98	326.88	-0.08	-42.06
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300008263966	0	36	-1.0	-47.42	333.91	3.07	-44.35
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300008263967	0	36	-1.0	-47.17	330.29	1.89	-45.28
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300008263968	0	38	-1.0	-50.59	331.11	2.23	-48.36
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300008263969	0	39	-1.0	-51.18	338.52	4.01	-47.17
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300008263970	0	41	-1.0	-44.82	365.53	2.77	-42.05
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300008263971	0	45	-1.0	-51.58	379.37	4.66	-46.92
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008263972	0	43	-1.0	-51.41	377.11	5.21	-46.20
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300008263973	0	38	-1.0	-48.06	316.87	4.03	-44.03
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300008263974	0	33	-1.0	-45.85	315.02	1.13	-44.72
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263975	0	43	-1.0	-48.16	370.38	3.90	-44.26
CCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C2CC2)=N1	REAL300008263976	0	42	-1.0	-50.15	363.90	3.06	-47.09
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300008263977	0	36	-1.0	-50.89	324.72	1.67	-49.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300008263978	0	38	-1.0	-44.68	347.44	5.03	-39.65
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008263979	0	42	-1.0	-46.27	377.39	6.22	-40.05
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300008263980	0	31	-1.0	-44.27	314.05	0.26	-44.01
CCC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1Br	REAL300008263981	0	38	-1.0	-42.95	343.86	4.12	-38.83
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300008263982	0	45	-1.0	-48.21	373.49	3.43	-44.78
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300008263983	0	29	-1.0	-40.88	293.68	1.79	-39.09
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300008263984	0	46	-1.0	-45.49	373.38	2.87	-42.62
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300008263985	0	38	-1.0	-57.40	343.06	5.00	-52.40
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300008263986	0	40	-1.0	-50.04	335.58	-0.09	-50.13
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300008263987	0	39	-1.0	-45.76	327.59	4.43	-41.33
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300008263988	0	47	-1.0	-47.46	388.60	2.66	-44.80
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263989	0	35	-1.0	-43.61	313.48	-0.11	-43.72
COC1=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300008263990	0	38	-1.0	-45.41	333.78	-0.29	-45.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300008263991	0	41	-1.0	-46.93	347.76	2.39	-44.54
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300008263992	0	41	-1.0	-48.61	350.05	1.87	-46.74
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300008263993	0	38	-1.0	-54.86	323.40	1.23	-53.63
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300008263994	0	39	-1.0	-45.67	335.44	2.46	-43.21
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300008263995	0	39	-1.0	-50.11	336.00	3.49	-46.62
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300008263996	0	41	-1.0	-45.95	347.69	1.99	-43.96
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300008263997	0	46	-1.0	-46.68	394.38	5.81	-40.87
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C(F)F)=C1	REAL300008263998	0	39	-1.0	-44.70	338.05	2.56	-42.14
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300008263999	0	38	-1.0	-42.40	333.79	0.71	-41.69
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300008264000	0	40	-1.0	-53.05	328.89	3.89	-49.16
COC1=CC=C(F)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266673	0	36	-1.0	-45.01	302.54	3.24	-41.77
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266674	0	43	-1.0	-46.04	362.80	4.02	-42.02
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1C	REAL300008266675	0	43	-1.0	-41.58	364.44	1.05	-40.53
CC1[C@@H](C)[C@@]1(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008266676	0	50	-1.0	-37.65	352.33	5.87	-31.78
CC1=NC2=C(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=CC=C2C=C1	REAL300008266677	0	40	-1.0	-64.74	340.11	5.71	-59.03
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008266678	0	40	-1.0	-51.00	340.48	6.06	-44.94
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008266679	0	43	-1.0	-42.31	350.05	2.46	-39.85
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266680	0	46	-1.0	-62.43	399.36	5.84	-56.59
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266681	0	46	-1.0	-45.36	389.79	4.97	-40.39
CCCN1C=NC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266682	0	38	-1.0	-62.42	320.03	6.24	-56.18
COCCOCCOCCS(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266683	0	46	-1.0	-47.19	373.45	1.09	-46.10
CC(COC1CCCC1)CS(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266684	0	48	-1.0	-40.36	372.52	5.04	-35.32
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266685	0	39	-1.0	-38.77	334.88	4.08	-34.69
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008266686	0	40	-1.0	-56.20	332.04	1.55	-54.65
COC1=CC(Br)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266687	0	36	-1.0	-42.96	322.68	3.71	-39.25
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008266688	0	36	-1.0	-44.44	312.58	3.50	-40.94
COC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CC=C1[N+](=O)[O-]	REAL300008266689	0	38	-1.0	-39.33	319.45	4.43	-34.90
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266690	0	38	-1.0	-52.45	325.96	6.04	-46.41
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266691	0	38	-1.0	-40.73	324.83	5.43	-35.30
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CC=C1C(F)(F)F	REAL300008266692	0	38	-1.0	-38.57	327.50	5.49	-33.08
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266693	0	41	-1.0	-43.44	324.30	5.82	-37.62
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300008266694	0	44	-1.0	-42.27	336.66	0.73	-41.54
CCOC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266695	0	39	-1.0	-42.88	319.52	4.12	-38.76
COCCN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=N1	REAL300008266696	0	39	-1.0	-41.48	332.65	1.53	-39.95
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008266697	0	39	-1.0	-55.14	329.80	4.55	-50.59
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1C	REAL300008266698	0	59	-1.0	-41.71	451.26	8.02	-33.69
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008266699	0	40	-1.0	-46.42	338.45	5.95	-40.47
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008266700	0	37	-1.0	-45.24	307.73	4.09	-41.15
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008266701	0	35	-1.0	-42.05	316.16	5.05	-37.00
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008266702	0	35	-1.0	-42.31	306.40	5.09	-37.22
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008266703	0	39	-1.0	-52.86	336.50	1.68	-51.18
CC1=CC(Br)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266704	0	35	-1.0	-38.69	309.36	5.05	-33.64
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266705	0	35	-1.0	-40.81	305.70	5.11	-35.70
COCC1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266706	0	39	-1.0	-55.69	323.79	4.78	-50.91
COC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CC=C1Br	REAL300008266707	0	36	-1.0	-38.35	316.57	3.75	-34.60
COC1=CC(OC)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1Cl	REAL300008266708	0	40	-1.0	-60.89	352.08	4.18	-56.71
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008266709	0	35	-1.0	-43.91	316.86	2.98	-40.93
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008266710	0	35	-1.0	-40.40	310.83	2.81	-37.59
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008266711	0	43	-1.0	-43.88	353.68	5.38	-38.50
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008266712	0	35	-1.0	-49.85	313.75	3.70	-46.15
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266713	0	43	-1.0	-42.84	330.14	1.68	-41.16
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266714	0	44	-1.0	-56.05	369.10	3.22	-52.83
CSC1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266715	0	36	-1.0	-58.65	309.40	5.76	-52.89
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008266716	0	40	-1.0	-39.59	351.82	0.79	-38.80
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266717	0	46	-1.0	-53.71	384.59	1.79	-51.92
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008266718	0	43	-1.0	-65.06	352.43	4.69	-60.37
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1F	REAL300008266719	0	43	-1.0	-38.99	373.28	1.68	-37.31
CCC1=CC=C(CS(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266720	0	41	-1.0	-42.82	341.94	6.32	-36.50
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300008266721	0	35	-1.0	-42.42	299.40	4.39	-38.03
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008266722	0	47	-1.0	-44.92	386.64	4.45	-40.47
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008266723	0	44	-1.0	-43.78	365.64	3.94	-39.84
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266724	0	41	-1.0	-43.40	358.36	2.55	-40.85
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266725	0	42	-1.0	-67.68	367.26	1.83	-65.85
CC1=CC=C(CS(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1C	REAL300008266726	0	41	-1.0	-44.86	327.15	5.69	-39.17
CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1Br	REAL300008266727	0	39	-1.0	-40.19	344.65	4.90	-35.29
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1C1=CC=CC=C1	REAL300008266728	0	46	-1.0	-47.10	381.53	7.06	-40.04
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008266729	0	36	-1.0	-43.54	322.90	3.95	-39.59
COC1=CC=C(Br)C(CS(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266730	0	39	-1.0	-44.74	345.24	4.73	-40.01
CC1[C@@H](C)[C@@]1(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300008266731	0	41	-1.0	-52.80	317.03	1.95	-50.85
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008266732	0	46	-1.0	-45.95	384.86	5.76	-40.19
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266733	0	39	-1.0	-60.63	346.02	5.52	-55.11
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)=CC=C21	REAL300008266734	0	44	-1.0	-43.93	363.77	5.50	-38.43
CCS(=O)(=O)NCCS(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266735	0	39	-1.0	-48.84	326.82	-1.49	-50.33
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)OC2=CC=C(F)C=C12	REAL300008266736	0	38	-1.0	-45.34	330.09	5.48	-39.86
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008266737	0	35	-1.0	-42.43	330.98	5.90	-36.53
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C2=CC(Cl)=CC=C2S1	REAL300008266738	0	38	-1.0	-40.02	329.34	6.38	-33.64
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008266739	0	35	-1.0	-53.41	331.44	6.43	-46.98
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008266740	0	38	-1.0	-59.00	335.83	7.40	-51.60
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008266741	0	38	-1.0	-54.76	326.45	5.78	-48.98
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008266742	0	43	-1.0	-43.23	356.45	5.50	-37.73
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008266743	0	46	-1.0	-60.40	392.42	8.08	-52.32
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008266744	0	45	-1.0	-57.28	371.98	5.54	-51.74
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008266745	0	43	-1.0	-48.70	364.98	0.84	-47.86
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C2=CC=CC(C)=C2S1	REAL300008266746	0	41	-1.0	-42.59	332.61	6.49	-36.10
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1N(C)C	REAL300008266747	0	43	-1.0	-42.05	345.65	4.56	-37.49
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008266748	0	38	-1.0	-42.88	336.70	6.09	-36.79
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008266749	0	37	-1.0	-60.70	315.24	1.43	-59.27
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008266750	0	45	-1.0	-42.80	349.71	4.23	-38.57
COC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1Cl	REAL300008266751	0	39	-1.0	-43.97	333.45	4.34	-39.63
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008266752	0	41	-1.0	-51.29	355.56	1.94	-49.35
CSC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1Cl	REAL300008266753	0	36	-1.0	-40.01	328.09	5.47	-34.54
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266754	0	44	-1.0	-55.16	346.63	4.77	-50.39
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008266755	0	40	-1.0	-45.79	344.03	2.51	-43.28
CCC1=NOC2=NC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=C12	REAL300008266756	0	39	-1.0	-53.52	333.80	1.45	-52.07
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008266757	0	43	-1.0	-52.63	369.09	3.56	-49.07
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300008266758	0	37	-1.0	-51.37	309.83	3.10	-48.27
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300008266759	0	38	-1.0	-41.76	342.90	7.02	-34.74
CCC1=CC(CC)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(CC)=C1	REAL300008266760	0	50	-1.0	-40.50	368.64	8.13	-32.37
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300008266761	0	39	-1.0	-48.87	315.16	3.84	-45.03
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008266762	0	38	-1.0	-48.10	334.09	2.12	-45.98
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008266763	0	41	-1.0	-46.50	346.28	7.11	-39.39
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(C)=C1F	REAL300008266764	0	39	-1.0	-43.32	320.65	3.77	-39.55
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300008266765	0	44	-1.0	-38.51	315.21	5.30	-33.21
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008266766	0	41	-1.0	-46.64	335.11	5.58	-41.06
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008266768	0	40	-1.0	-46.00	340.49	4.94	-41.06
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266769	0	39	-1.0	-40.57	344.87	4.21	-36.36
CC1=CC=C(CS(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(F)=C1	REAL300008266770	0	38	-1.0	-44.72	316.45	5.25	-39.47
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008266772	0	32	-1.0	-38.61	308.68	4.36	-34.25
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008266773	0	45	-1.0	-41.96	364.07	7.44	-34.52
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008266774	0	43	-1.0	-44.73	355.67	4.85	-39.88
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008266775	0	41	-1.0	-46.60	335.45	1.31	-45.29
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008266776	0	35	-1.0	-44.11	309.61	5.15	-38.96
CC1=C(CCS(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)SC=N1	REAL300008266777	0	37	-1.0	-42.34	324.52	3.39	-38.95
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300008266778	0	42	-1.0	-43.30	323.87	5.38	-37.92
COC1=CC=C2C=C(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)CCC2=C1	REAL300008266779	0	44	-1.0	-42.63	349.99	5.47	-37.16
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300008266780	0	45	-1.0	-42.91	329.54	5.89	-37.02
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008266781	0	43	-1.0	-53.95	338.24	0.89	-53.06
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300008266782	0	41	-1.0	-43.09	316.06	4.95	-38.14
CC1[C@@H](C)[C@@]1(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300008266783	0	39	-1.0	-54.47	316.34	6.15	-48.32
CCC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1[N+](=O)[O-]	REAL300008266784	0	40	-1.0	-42.24	329.28	5.62	-36.62
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008266785	0	32	-1.0	-49.58	282.17	4.52	-45.06
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008266786	0	32	-1.0	-49.40	286.75	4.62	-44.78
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008266787	0	34	-1.0	-47.90	293.67	4.67	-43.23
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300008266788	0	38	-1.0	-43.91	315.06	6.12	-37.79
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008266789	0	34	-1.0	-44.18	304.45	4.81	-39.37
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266790	0	37	-1.0	-43.58	314.28	5.11	-38.47
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008266791	0	34	-1.0	-45.18	290.60	5.17	-40.01
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266792	0	39	-1.0	-59.94	348.74	6.09	-53.85
CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266793	0	39	-1.0	-51.69	316.78	4.24	-47.45
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1C	REAL300008266794	0	44	-1.0	-41.88	324.06	6.11	-35.77
CC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(C)=C1	REAL300008266795	0	41	-1.0	-42.04	318.90	5.84	-36.20
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266796	0	47	-1.0	-43.81	362.29	6.77	-37.04
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008266797	0	35	-1.0	-41.18	314.86	5.17	-36.01
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008266798	0	35	-1.0	-56.28	295.47	5.26	-51.02
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008266799	0	32	-1.0	-38.66	284.90	4.40	-34.26
CC(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266800	0	37	-1.0	-52.71	308.18	4.51	-48.20
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1[N+](=O)[O-]	REAL300008266801	0	38	-1.0	-44.20	322.16	4.52	-39.68
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300008266802	0	44	-1.0	-52.48	341.66	6.32	-46.16
CC(C)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266803	0	41	-1.0	-42.48	336.43	6.07	-36.41
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008266804	0	43	-1.0	-53.94	361.02	2.00	-51.94
CCCC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266805	0	41	-1.0	-52.66	329.83	6.22	-46.44
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1Br	REAL300008266806	0	36	-1.0	-40.29	322.79	3.97	-36.32
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CC=C1Br	REAL300008266807	0	35	-1.0	-39.57	312.84	5.19	-34.38
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=C2)=C1	REAL300008266808	0	46	-1.0	-51.04	376.51	7.58	-43.46
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008266809	0	36	-1.0	-49.68	311.43	3.80	-45.88
CC1=C(C)C(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(C)=C1C	REAL300008266810	0	47	-1.0	-57.28	345.21	7.42	-49.86
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008266811	0	41	-1.0	-48.07	338.97	4.08	-43.99
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266812	0	48	-1.0	-62.66	382.75	6.63	-56.03
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1[N+](=O)[O-]	REAL300008266813	0	37	-1.0	-42.47	310.76	4.97	-37.50
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266814	0	36	-1.0	-43.61	317.43	3.79	-39.82
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266815	0	50	-1.0	-42.37	373.70	7.51	-34.86
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008266816	0	35	-1.0	-48.95	304.18	5.00	-43.95
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300008266817	0	42	-1.0	-41.66	329.18	6.26	-35.40
COC1=CC=C(OC)C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266818	0	40	-1.0	-64.65	336.04	3.60	-61.05
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1OC	REAL300008266819	0	40	-1.0	-42.08	325.38	2.98	-39.10
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300008266820	0	39	-1.0	-53.94	310.98	5.94	-48.00
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300008266821	0	40	-1.0	-43.78	326.32	6.34	-37.44
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008266822	0	37	-1.0	-44.54	307.78	3.63	-40.91
CC(C)CCC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266823	0	47	-1.0	-52.55	368.89	7.51	-45.04
CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1OCC	REAL300008266824	0	46	-1.0	-42.33	369.09	4.82	-37.51
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008266825	0	37	-1.0	-55.71	319.69	-1.04	-56.75
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CC([N+](=O)[O-])=C1C	REAL300008266826	0	40	-1.0	-44.36	336.75	5.80	-38.56
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1C	REAL300008266827	0	40	-1.0	-64.26	333.95	6.42	-57.84
CC1=CC2=CC=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)=C2N=C1	REAL300008266828	0	40	-1.0	-60.24	334.44	5.89	-54.35
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C([N+](=O)[O-])=C1	REAL300008266829	0	38	-1.0	-45.11	323.03	4.67	-40.44
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266830	0	36	-1.0	-54.22	321.07	5.05	-49.17
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008266831	0	37	-1.0	-47.41	320.43	-1.30	-48.71
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008266832	0	44	-1.0	-45.25	375.25	1.60	-43.65
CC1[C@@H](C)[C@@]1(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300008266833	0	40	-1.0	-56.73	338.09	6.26	-50.47
CC1[C@@H](C)[C@@]1(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300008266834	0	41	-1.0	-39.48	320.25	5.03	-34.45
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C2=CC=CN=C12	REAL300008266835	0	40	-1.0	-56.80	330.33	5.56	-51.24
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1C	REAL300008266836	0	40	-1.0	-46.76	332.82	6.55	-40.21
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008266837	0	43	-1.0	-47.84	361.70	1.74	-46.10
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008266838	0	44	-1.0	-47.16	352.41	3.04	-44.12
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008266839	0	38	-1.0	-51.23	326.90	1.27	-49.96
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008266840	0	42	-1.0	-49.36	341.53	7.51	-41.85
CC1[C@@H](C)[C@@]1(NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300008266841	0	43	-1.0	-56.53	331.93	4.55	-51.98
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008266842	0	38	-1.0	-60.12	319.39	6.85	-53.27
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008266843	0	42	-1.0	-53.20	339.61	7.43	-45.77
CC1=CC=C(F)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266844	0	35	-1.0	-42.11	292.49	4.51	-37.60
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008266845	0	46	-1.0	-57.49	372.57	6.76	-50.73
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008266846	0	33	-1.0	-53.71	298.37	2.93	-50.78
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266847	0	36	-1.0	-43.82	312.88	3.69	-40.13
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266848	0	47	-1.0	-52.44	355.87	6.79	-45.65
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1Cl	REAL300008266849	0	35	-1.0	-41.06	308.52	5.10	-35.96
CC(C)OC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266850	0	42	-1.0	-52.22	334.87	4.90	-47.32
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008266851	0	35	-1.0	-42.09	311.58	4.94	-37.15
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300008266852	0	33	-1.0	-50.05	289.40	3.37	-46.68
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008266853	0	37	-1.0	-40.02	332.34	6.39	-33.63
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008266854	0	37	-1.0	-60.67	312.78	5.25	-55.42
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008266855	0	43	-1.0	-51.20	371.22	7.43	-43.77
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266856	0	38	-1.0	-52.03	333.47	5.18	-46.85
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1F	REAL300008266857	0	36	-1.0	-40.94	308.60	3.38	-37.56
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1F	REAL300008266858	0	35	-1.0	-39.85	299.79	4.69	-35.16
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008266859	0	43	-1.0	-51.50	371.85	7.43	-44.07
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=C2)C=C1	REAL300008266860	0	47	-1.0	-52.97	384.62	6.20	-46.77
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(C(C)C)=C1	REAL300008266861	0	59	-1.0	-53.23	423.17	9.95	-43.28
CC(C)OC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C2=CC=CC=C12	REAL300008266862	0	48	-1.0	-58.64	386.92	7.78	-50.86
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008266863	0	35	-1.0	-56.45	322.03	5.64	-50.81
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C2=CC=CC=C12	REAL300008266864	0	42	-1.0	-58.63	347.48	6.26	-52.37
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266865	0	37	-1.0	-51.14	315.45	5.72	-45.42
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266866	0	37	-1.0	-40.12	310.17	5.00	-35.12
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266867	0	40	-1.0	-40.27	332.54	6.36	-33.91
CC(C)CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266868	0	44	-1.0	-52.82	346.59	6.68	-46.14
COCCC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266869	0	42	-1.0	-52.86	342.00	4.51	-48.35
COCCN(CCOC)S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266870	0	44	-1.0	-61.77	338.69	2.66	-59.11
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266871	0	35	-1.0	-41.15	302.80	4.96	-36.19
COC1=C(C)C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1C	REAL300008266872	0	42	-1.0	-44.39	347.46	4.94	-39.45
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266873	0	48	-1.0	-51.10	377.35	6.35	-44.75
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300008266874	0	46	-1.0	-51.85	359.86	6.30	-45.55
CC(C)COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266875	0	45	-1.0	-51.25	358.38	5.74	-45.51
CCCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266876	0	42	-1.0	-51.30	338.28	5.04	-46.26
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1Cl	REAL300008266877	0	36	-1.0	-40.26	318.41	3.86	-36.40
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300008266878	0	36	-1.0	-42.31	328.15	4.13	-38.18
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1C	REAL300008266879	0	39	-1.0	-42.79	322.64	4.02	-38.77
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CC=C1OC(C)C	REAL300008266880	0	45	-1.0	-43.91	362.40	5.58	-38.33
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(C)=C1	REAL300008266881	0	39	-1.0	-55.71	316.67	4.34	-51.37
COCCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266882	0	43	-1.0	-53.62	350.41	3.52	-50.10
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300008266883	0	35	-1.0	-44.03	295.00	4.56	-39.47
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266884	0	35	-1.0	-53.09	308.50	5.66	-47.43
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1C	REAL300008266885	0	40	-1.0	-45.39	318.08	6.41	-38.98
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266886	0	41	-1.0	-55.04	346.77	1.96	-53.08
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300008266887	0	44	-1.0	-44.74	375.66	1.63	-43.11
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266888	0	40	-1.0	-54.49	342.05	0.17	-54.32
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266889	0	40	-1.0	-43.85	331.33	2.26	-41.59
CC1=NC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)S1	REAL300008266890	0	34	-1.0	-52.32	294.00	2.79	-49.53
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300008266891	0	35	-1.0	-55.47	314.59	5.92	-49.55
COC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CC=C1F	REAL300008266892	0	36	-1.0	-38.73	302.37	3.15	-35.58
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008266893	0	42	-1.0	-43.49	341.89	7.25	-36.24
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300008266894	0	35	-1.0	-39.90	320.31	5.50	-34.40
CC1=NC(C2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)S2)=CS1	REAL300008266895	0	38	-1.0	-45.82	354.71	4.53	-41.29
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300008266896	0	52	-1.0	-51.12	400.02	7.63	-43.49
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266897	0	40	-1.0	-63.23	335.35	5.79	-57.44
CNC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CN1C	REAL300008266898	0	40	-1.0	-46.34	340.81	1.73	-44.61
COC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(C)=C1	REAL300008266899	0	42	-1.0	-42.30	328.33	4.61	-37.69
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300008266900	0	43	-1.0	-56.78	356.96	7.90	-48.88
COC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1C	REAL300008266901	0	42	-1.0	-44.79	338.28	4.60	-40.19
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C2=CC=CN=C2C=C1	REAL300008266902	0	40	-1.0	-53.35	311.70	4.68	-48.67
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300008266903	0	37	-1.0	-58.41	314.77	5.05	-53.36
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300008266904	0	45	-1.0	-52.72	371.68	7.65	-45.07
CCN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C([N+](=O)[O-])=N1	REAL300008266905	0	37	-1.0	-48.59	322.94	5.45	-43.14
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300008266906	0	39	-1.0	-52.63	336.36	4.70	-47.93
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008266907	0	46	-1.0	-52.61	376.70	7.29	-45.32
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266908	0	40	-1.0	-47.20	331.22	5.16	-42.04
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008266909	0	42	-1.0	-43.10	359.03	5.44	-37.66
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300008266910	0	35	-1.0	-63.04	305.14	3.15	-59.89
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266911	0	54	-1.0	-39.04	404.04	7.05	-31.99
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300008266912	0	40	-1.0	-55.93	341.27	0.69	-55.24
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300008266913	0	35	-1.0	-42.21	301.26	4.50	-37.71
CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C2=CC=CC=C12	REAL300008266914	0	45	-1.0	-58.33	369.33	7.18	-51.15
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266915	0	42	-1.0	-61.45	348.89	6.11	-55.34
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300008266916	0	37	-1.0	-47.06	324.48	4.32	-42.74
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008266917	0	39	-1.0	-45.91	333.46	5.04	-40.87
CCOCCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266918	0	46	-1.0	-53.57	372.26	4.48	-49.09
CCCCCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266919	0	48	-1.0	-42.08	392.05	6.72	-35.36
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300008266920	0	42	-1.0	-43.42	324.78	6.33	-37.09
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008266921	0	38	-1.0	-46.11	323.67	5.95	-40.16
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300008266922	0	36	-1.0	-50.49	321.81	5.48	-45.01
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300008266923	0	37	-1.0	-55.87	308.72	3.08	-52.79
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008266924	0	40	-1.0	-50.67	328.91	5.03	-45.64
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300008266925	0	38	-1.0	-49.20	322.53	0.59	-48.61
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300008266926	0	37	-1.0	-53.97	313.72	4.19	-49.78
CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(C)=C1	REAL300008266927	0	42	-1.0	-56.35	340.00	5.45	-50.90
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266928	0	40	-1.0	-47.96	352.81	0.31	-47.65
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300008266929	0	36	-1.0	-56.44	312.00	4.38	-52.06
CSC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266930	0	36	-1.0	-51.41	305.63	5.04	-46.37
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008266931	0	38	-1.0	-41.79	333.92	5.45	-36.34
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266932	0	43	-1.0	-55.01	345.08	5.89	-49.12
CCN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)N=C1C	REAL300008266933	0	38	-1.0	-48.70	321.99	3.65	-45.05
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300008266934	0	38	-1.0	-59.06	321.62	4.13	-54.93
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300008266935	0	37	-1.0	-56.63	314.26	5.00	-51.63
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300008266936	0	44	-1.0	-44.19	359.74	5.75	-38.44
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1C(F)(F)F	REAL300008266937	0	38	-1.0	-41.30	327.49	5.50	-35.80
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300008266938	0	38	-1.0	-42.98	348.95	4.67	-38.31
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300008266939	0	41	-1.0	-42.70	333.88	5.41	-37.29
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=C12	REAL300008266940	0	40	-1.0	-51.34	338.97	3.51	-47.83
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266941	0	39	-1.0	-45.15	343.94	4.75	-40.40
COCC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266942	0	39	-1.0	-43.18	331.26	3.86	-39.32
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300008266943	0	43	-1.0	-59.68	351.35	5.80	-53.88
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300008266944	0	35	-1.0	-42.55	303.18	4.98	-37.57
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300008266945	0	44	-1.0	-67.87	362.05	2.51	-65.36
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008266946	0	39	-1.0	-39.45	345.05	4.66	-34.79
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300008266947	0	40	-1.0	-45.82	338.42	4.67	-41.15
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300008266948	0	35	-1.0	-45.20	324.58	5.74	-39.46
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008266949	0	40	-1.0	-54.88	329.79	4.39	-50.49
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266950	0	44	-1.0	-43.17	342.00	7.25	-35.92
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266951	0	44	-1.0	-51.83	356.62	2.39	-49.44
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300008266952	0	43	-1.0	-49.97	371.83	7.43	-42.54
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300008266953	0	38	-1.0	-45.49	339.54	4.62	-40.87
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300008266954	0	38	-1.0	-42.91	359.27	5.12	-37.79
CC1=NC(C2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=C2)=CO1	REAL300008266955	0	41	-1.0	-45.74	349.28	3.08	-42.66
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008266956	0	35	-1.0	-43.83	310.87	2.57	-41.26
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008266957	0	35	-1.0	-48.77	303.82	5.14	-43.63
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300008266958	0	35	-1.0	-42.48	298.93	2.67	-39.81
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=N1	REAL300008266959	0	35	-1.0	-48.56	292.66	0.72	-47.84
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300008266960	0	40	-1.0	-43.03	322.76	4.45	-38.58
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008266961	0	39	-1.0	-42.20	316.54	5.97	-36.23
CC1=CC=C(N2C=C(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=N2)C=C1	REAL300008266962	0	42	-1.0	-52.91	354.98	5.57	-47.34
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300008266963	0	40	-1.0	-40.84	340.01	4.87	-35.97
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CC=C1[N+](=O)[O-]	REAL300008266964	0	37	-1.0	-38.20	317.15	5.16	-33.04
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=N1	REAL300008266965	0	43	-1.0	-56.12	360.75	4.53	-51.59
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300008266966	0	34	-1.0	-55.01	304.64	3.23	-51.78
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300008266967	0	40	-1.0	-54.37	315.82	4.39	-49.98
CC1=CC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=C2C=C1	REAL300008266968	0	41	-1.0	-45.38	342.99	7.07	-38.31
COC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)SC=C1	REAL300008266969	0	33	-1.0	-64.01	293.34	2.96	-61.05
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300008266970	0	40	-1.0	-44.34	327.71	4.53	-39.81
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300008266971	0	37	-1.0	-59.47	309.95	4.40	-55.07
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300008266972	0	37	-1.0	-46.51	320.90	4.18	-42.33
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300008266973	0	37	-1.0	-43.44	308.86	3.82	-39.62
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008266974	0	38	-1.0	-43.27	326.97	5.80	-37.47
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300008266975	0	44	-1.0	-41.73	341.23	4.35	-37.38
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300008266976	0	34	-1.0	-48.30	308.04	3.07	-45.23
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266977	0	40	-1.0	-61.87	320.20	4.25	-57.62
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266978	0	40	-1.0	-49.91	332.32	6.35	-43.56
CC1=CC=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1[N+](=O)[O-]	REAL300008266979	0	40	-1.0	-54.50	321.84	7.27	-47.23
CC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1[N+](=O)[O-]	REAL300008266980	0	40	-1.0	-65.23	335.96	6.37	-58.86
COC1=CC=C(CCS(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266981	0	42	-1.0	-45.02	339.73	4.58	-40.44
COC1=CN=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266982	0	35	-1.0	-43.58	300.39	1.62	-41.96
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300008266983	0	41	-1.0	-53.50	337.16	5.82	-47.68
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300008266984	0	39	-1.0	-43.71	321.07	5.91	-37.80
COC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CC(OC)=C1	REAL300008266985	0	40	-1.0	-48.02	335.06	2.55	-45.47
CC1[C@@H](C)[C@@]1(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300008266986	0	44	-1.0	-41.74	339.53	5.62	-36.12
CC1=CC=C(CCS(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300008266987	0	41	-1.0	-43.80	331.63	5.95	-37.85
CC1=CC2=C(C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)OCO2	REAL300008266988	0	38	-1.0	-46.24	313.97	3.15	-43.09
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300008266989	0	35	-1.0	-58.09	303.94	5.10	-52.99
COC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=CC=C1Cl	REAL300008266990	0	36	-1.0	-38.37	312.18	3.63	-34.74
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300008266991	0	38	-1.0	-52.55	321.15	5.33	-47.22
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C2=NC=CC=C2C=C1	REAL300008266992	0	40	-1.0	-48.99	321.07	5.51	-43.48
CC1=NC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=C2O1	REAL300008266993	0	37	-1.0	-45.44	316.53	1.67	-43.77
CCC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1CC	REAL300008266994	0	44	-1.0	-41.07	343.71	6.34	-34.73
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266995	0	40	-1.0	-39.05	329.65	6.17	-32.88
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300008266996	0	42	-1.0	-45.53	338.34	5.83	-39.70
CC1=C(C)SC(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300008266997	0	35	-1.0	-42.49	304.94	4.32	-38.17
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300008266998	0	33	-1.0	-53.21	300.71	2.33	-50.88
CCC1=NC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)S1	REAL300008266999	0	34	-1.0	-40.80	301.51	2.46	-38.34
CC1[C@@H](C)[C@@]1(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300008267000	0	39	-1.0	-57.67	321.97	3.46	-54.21
COC1=CC=C(F)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278701	0	34	-1.0	-48.20	300.75	4.86	-43.34
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278702	0	41	-1.0	-51.15	352.60	5.16	-45.99
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1C	REAL300008278703	0	41	-1.0	-52.14	362.22	2.07	-50.07
O=C([O-])C12CC1CN(S(=O)(=O)N1CCC3(CCCCC3)CC1)C2	REAL300008278704	0	48	-1.0	-47.31	357.32	6.66	-40.65
CC1=NC2=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=CC=C2C=C1	REAL300008278705	0	38	-1.0	-56.56	326.44	6.37	-50.19
O=C([O-])C12CC1CN(S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C2	REAL300008278706	0	38	-1.0	-66.04	335.84	6.73	-59.31
O=C([O-])C12CC1CN(S(=O)(=O)C1=CN(C3CCOCC3)N=C1)C2	REAL300008278707	0	41	-1.0	-50.75	348.01	3.50	-47.25
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278708	0	44	-1.0	-52.70	388.00	6.10	-46.60
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278709	0	44	-1.0	-53.11	381.94	6.27	-46.84
COCCOCCOCCS(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278710	0	44	-1.0	-62.81	378.50	2.16	-60.65
CC(COC1CCCC1)CS(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278711	0	46	-1.0	-47.28	371.95	6.20	-41.08
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278712	0	37	-1.0	-48.49	339.49	5.30	-43.19
O=C([O-])C12CC1CN(S(=O)(=O)C1=CN(C3CCOC3)N=C1)C2	REAL300008278713	0	38	-1.0	-50.36	328.94	2.71	-47.65
COC1=CC(Br)=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278714	0	34	-1.0	-47.93	321.73	4.91	-43.02
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C2	REAL300008278715	0	34	-1.0	-46.27	310.57	5.13	-41.14
COC1=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300008278716	0	36	-1.0	-49.31	325.59	5.76	-43.55
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278717	0	36	-1.0	-45.37	311.16	6.24	-39.13
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278718	0	36	-1.0	-55.81	316.64	6.31	-49.50
CC1=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300008278719	0	36	-1.0	-46.68	325.32	6.47	-40.21
CC(C)C1=CC=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278720	0	39	-1.0	-58.97	313.26	6.33	-52.64
O=C([O-])C12CC1CN(S(=O)(=O)CCCN1CCOCC1)C2	REAL300008278721	0	42	-1.0	-48.55	345.53	1.80	-46.75
CCOC1=CC=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278722	0	37	-1.0	-49.39	321.42	5.24	-44.15
COCCN1C=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=N1	REAL300008278723	0	37	-1.0	-51.56	329.52	2.63	-48.93
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C2	REAL300008278724	0	37	-1.0	-53.87	334.43	5.56	-48.31
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1C	REAL300008278725	0	57	-1.0	-51.07	458.50	9.61	-41.46
O=C([O-])C12CC1CN(S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C2	REAL300008278726	0	38	-1.0	-64.72	343.50	7.02	-57.70
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC3=CC=CC=C3N=C1)C2	REAL300008278727	0	35	-1.0	-49.78	312.14	5.35	-44.43
O=C([O-])C12CC1CN(S(=O)(=O)CC1=CC=CC(Br)=C1)C2	REAL300008278728	0	33	-1.0	-48.12	316.43	6.16	-41.96
O=C([O-])C12CC1CN(S(=O)(=O)CC1=CC=CC=C1Br)C2	REAL300008278729	0	33	-1.0	-52.31	311.88	6.10	-46.21
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C3CCS(=O)(=O)C3=C1)C2	REAL300008278730	0	37	-1.0	-60.82	334.37	2.88	-57.94
CC1=CC(Br)=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278731	0	33	-1.0	-46.51	313.65	6.27	-40.24
CC1=C(Br)C=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278732	0	33	-1.0	-47.48	295.73	5.96	-41.52
COCC1=CC=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278733	0	37	-1.0	-47.94	305.81	4.52	-43.42
COC1=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=CC=C1Br	REAL300008278734	0	34	-1.0	-47.12	320.80	4.94	-42.18
COC1=CC(OC)=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1Cl	REAL300008278735	0	38	-1.0	-51.06	339.76	4.64	-46.42
O=C([O-])C12CC1CN(S(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C2	REAL300008278736	0	33	-1.0	-50.83	314.83	4.03	-46.80
O=C([O-])C12CC1CN(S(=O)(=O)C1=CN(CC(F)F)N=C1)C2	REAL300008278737	0	33	-1.0	-52.60	308.84	3.87	-48.73
CC1(C)CC2=CC(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)=CC=C2O1	REAL300008278738	0	41	-1.0	-49.26	347.51	6.27	-42.99
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC3=C1OC(F)(F)O3)C2	REAL300008278739	0	33	-1.0	-49.11	308.07	4.00	-45.11
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278740	0	41	-1.0	-56.83	348.53	3.52	-53.31
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278741	0	42	-1.0	-59.79	375.49	4.02	-55.77
CSC1=CC=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278742	0	34	-1.0	-52.61	300.80	5.84	-46.77
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1F	REAL300008278743	0	38	-1.0	-52.47	349.85	1.75	-50.72
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278744	0	44	-1.0	-56.41	390.98	2.58	-53.83
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278745	0	41	-1.0	-63.97	351.36	4.91	-59.06
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1F	REAL300008278746	0	41	-1.0	-52.11	370.49	2.68	-49.43
CCC1=CC=C(CS(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278747	0	39	-1.0	-62.80	337.68	7.01	-55.79
O=C([O-])C12CC1CN(S(=O)(=O)CCC1=CC=CS1)C2	REAL300008278748	0	33	-1.0	-60.34	306.52	5.43	-54.91
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OCC3CCOC3)C(F)=C1)C2	REAL300008278749	0	45	-1.0	-53.03	383.82	5.46	-47.57
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C2	REAL300008278750	0	42	-1.0	-57.45	356.54	4.14	-53.31
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278751	0	39	-1.0	-54.86	353.13	3.40	-51.46
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278752	0	40	-1.0	-56.62	355.05	2.30	-54.32
CC1=CC=C(CS(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1C	REAL300008278753	0	39	-1.0	-50.91	333.55	6.75	-44.16
CCOC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1Br	REAL300008278754	0	37	-1.0	-47.76	341.83	5.91	-41.85
COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300008278755	0	44	-1.0	-51.80	379.08	8.02	-43.78
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C2	REAL300008278756	0	34	-1.0	-46.25	320.92	5.59	-40.66
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C2	REAL300008278757	0	36	-1.0	-49.78	351.36	3.10	-46.68
COC1=CC=C(Br)C(CS(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278758	0	37	-1.0	-51.96	340.74	5.57	-46.39
CC1(C)CN(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)CCO1	REAL300008278759	0	39	-1.0	-47.25	317.17	3.20	-44.05
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=C2S1	REAL300008278760	0	44	-1.0	-49.56	383.94	6.93	-42.63
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278761	0	37	-1.0	-48.02	333.83	5.97	-42.05
CC(C)N1N=CC2=CC(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)=CC=C21	REAL300008278762	0	42	-1.0	-50.99	361.67	6.52	-44.47
CCS(=O)(=O)NCCS(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278763	0	37	-1.0	-67.12	333.88	-0.41	-67.53
CC1=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300008278764	0	36	-1.0	-47.97	321.71	6.15	-41.82
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC3=CC(Cl)=CC=C3S1)C2	REAL300008278765	0	33	-1.0	-46.94	326.52	6.89	-40.05
CC1=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300008278766	0	36	-1.0	-47.32	336.77	7.90	-39.42
O=C([O-])C12CC1CN(S(=O)(=O)C1=CSC3=CC=C(Cl)C=C31)C2	REAL300008278767	0	33	-1.0	-59.07	320.25	6.57	-52.50
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC3=CC=C(Cl)C=C31)C2	REAL300008278768	0	36	-1.0	-54.98	320.72	7.47	-47.51
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C2	REAL300008278769	0	36	-1.0	-50.21	331.06	6.80	-43.41
O=C([O-])C12CC1CN(S(=O)(=O)CCC1=CC=C3OCCC3=C1)C2	REAL300008278770	0	41	-1.0	-62.90	352.18	6.18	-56.72
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C2	REAL300008278771	0	44	-1.0	-49.71	380.03	8.31	-41.40
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278772	0	43	-1.0	-58.05	378.36	6.33	-51.72
O=C([O-])C12CC1CN(S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C2	REAL300008278773	0	41	-1.0	-53.09	371.39	1.89	-51.20
CC1=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300008278774	0	39	-1.0	-50.36	338.56	7.88	-42.48
CC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1N(C)C	REAL300008278775	0	41	-1.0	-47.51	345.49	5.62	-41.89
O=C([O-])C12CC1CN(S(=O)(=O)CCC1=CC=CC=C1Br)C2	REAL300008278776	0	36	-1.0	-48.75	333.31	6.78	-41.97
O=C([O-])C12CC1CN(S(=O)(=O)C1=C3OCCCN3N=C1)C2	REAL300008278777	0	35	-1.0	-52.35	306.71	1.85	-50.50
O=C([O-])C12CC1CN(S(=O)(=O)CCOCC1CCCC1)C2	REAL300008278778	0	43	-1.0	-59.14	354.76	5.31	-53.83
COC1=CC(C)=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1Cl	REAL300008278779	0	37	-1.0	-45.90	320.05	5.14	-40.76
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278780	0	39	-1.0	-56.52	355.86	3.06	-53.46
CSC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1Cl	REAL300008278781	0	34	-1.0	-47.09	326.08	6.44	-40.65
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278782	0	42	-1.0	-48.67	338.30	5.06	-43.61
O=C([O-])C12CC1CN(S(=O)(=O)C1=CN=C3ON=C(C4CC4)C3=C1)C2	REAL300008278783	0	38	-1.0	-51.76	340.91	3.58	-48.18
CCC1=NOC2=NC=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=C12	REAL300008278784	0	37	-1.0	-48.87	332.12	2.67	-46.20
O=C([O-])C12CC1CN(S(=O)(=O)C1=CN=C3ON=C(C4=CC=CC=C4)C3=C1)C2	REAL300008278785	0	41	-1.0	-49.24	366.34	4.84	-44.40
CN1N=CC2=CC(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)=CN=C21	REAL300008278786	0	35	-1.0	-50.14	314.43	4.14	-46.00
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC3=CC=C(Br)C=C3C=C1)C2	REAL300008278787	0	36	-1.0	-48.31	336.96	7.89	-40.42
CCC1=CC(CC)=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C(CC)=C1	REAL300008278788	0	48	-1.0	-55.35	366.23	9.27	-46.08
O=C([O-])C12CC1CN(S(=O)(=O)C1=CN3CCCCC3=N1)C2	REAL300008278789	0	37	-1.0	-61.55	316.02	4.89	-56.66
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C2	REAL300008278790	0	36	-1.0	-48.14	339.49	3.05	-45.09
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C2	REAL300008278791	0	39	-1.0	-57.19	335.74	8.80	-48.39
COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C(C)=C1F	REAL300008278792	0	37	-1.0	-48.56	306.62	4.57	-43.99
CC1(CS(=O)(=O)N2CC3CC3(C(=O)[O-])C2)CCCCC1	REAL300008278793	0	42	-1.0	-49.08	320.61	6.50	-42.58
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC3=CC=CC=C3OCC1)C2	REAL300008278794	0	39	-1.0	-59.74	332.21	6.27	-53.47
O=C([O-])C12CC1CN(S(=O)(=O)C1=CN=C(C3=CC=CC=C3)N=C1)C2	REAL300008278796	0	38	-1.0	-56.31	339.60	6.11	-50.20
COCC1=CC(Cl)=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278797	0	37	-1.0	-47.41	342.74	5.22	-42.19
CC1=CC=C(CS(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C(F)=C1	REAL300008278798	0	36	-1.0	-50.60	321.88	6.25	-44.35
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(C(F)(F)F)S1)C2	REAL300008278800	0	30	-1.0	-47.70	303.51	5.18	-42.52
O=C([O-])C12CC1CN(S(=O)(=O)CCC1CC3=CC=CC=C3C1)C2	REAL300008278801	0	43	-1.0	-49.12	360.60	8.13	-40.99
CC(C)(C)C1=CC(CS(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=NO1	REAL300008278802	0	41	-1.0	-54.10	352.65	5.73	-48.37
O=C([O-])C12CC1CN(S(=O)(=O)CC1CCCS(=O)(=O)C1)C2	REAL300008278803	0	39	-1.0	-53.16	333.01	1.99	-51.17
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC3=CC(F)=CC=C3O1)C2	REAL300008278804	0	33	-1.0	-49.97	307.12	5.45	-44.52
CC1=C(CCS(=O)(=O)N2CC3CC3(C(=O)[O-])C2)SC=N1	REAL300008278805	0	35	-1.0	-50.40	321.04	4.06	-46.34
COC1=CC=C2C=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)CCC2=C1	REAL300008278806	0	42	-1.0	-50.27	354.06	6.73	-43.54
O=C([O-])C12CC1CN(S(=O)(=O)CC13CCC(CC1)CC3)C2	REAL300008278807	0	43	-1.0	-49.80	327.10	7.04	-42.76
CC(C)(CCS(=O)(=O)N1CC2CC2(C(=O)[O-])C1)S(C)(=O)=O	REAL300008278808	0	41	-1.0	-72.62	343.26	1.96	-70.66
O=C([O-])C12CC1CN(S(=O)(=O)CC1CCCCC1(F)F)C2	REAL300008278809	0	39	-1.0	-49.60	323.76	6.15	-43.45
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=C12	REAL300008278810	0	45	-1.0	-54.42	394.29	8.22	-46.20
O=C([O-])C12CC1CN(S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C2	REAL300008278811	0	37	-1.0	-60.09	320.78	7.00	-53.09
CCC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008278812	0	38	-1.0	-48.12	333.27	6.81	-41.31
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(Cl)C=C1)C2	REAL300008278813	0	30	-1.0	-48.34	288.55	5.32	-43.02
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(Br)C=C1)C2	REAL300008278814	0	30	-1.0	-48.32	293.12	5.42	-42.90
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C2	REAL300008278815	0	32	-1.0	-47.92	299.11	5.63	-42.29
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC3=CC=CC=C3C=C1)C2	REAL300008278816	0	36	-1.0	-50.33	315.71	7.29	-43.04
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C2	REAL300008278817	0	32	-1.0	-49.16	298.29	5.69	-43.47
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278818	0	35	-1.0	-57.50	306.04	5.97	-51.53
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C2	REAL300008278819	0	32	-1.0	-75.97	290.94	6.71	-69.26
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278820	0	37	-1.0	-48.44	337.39	6.33	-42.11
CCOC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278821	0	37	-1.0	-49.10	321.42	5.24	-43.86
CC1=CC(C)=C(C)C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1C	REAL300008278822	0	42	-1.0	-48.40	332.83	7.68	-40.72
CC1=CC(C)=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C(C)=C1	REAL300008278823	0	39	-1.0	-50.61	314.60	6.86	-43.75
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278824	0	45	-1.0	-57.14	354.03	7.62	-49.52
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C2	REAL300008278825	0	33	-1.0	-47.50	309.13	6.03	-41.47
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC=C1C(F)(F)F)C2	REAL300008278826	0	33	-1.0	-51.76	298.81	6.49	-45.27
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC(Cl)=C1)C2	REAL300008278827	0	30	-1.0	-47.34	286.80	5.54	-41.80
CC(=O)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278828	0	35	-1.0	-52.89	311.31	5.43	-47.46
COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008278829	0	36	-1.0	-50.11	326.39	5.71	-44.40
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278830	0	42	-1.0	-48.28	347.16	7.29	-40.99
CC(C)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278831	0	39	-1.0	-48.30	331.18	6.90	-41.40
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278832	0	41	-1.0	-56.93	367.33	2.79	-54.14
CCCC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278833	0	39	-1.0	-50.44	336.21	7.02	-43.42
COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1Br	REAL300008278834	0	34	-1.0	-47.54	320.79	4.94	-42.60
CC1=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=CC=C1Br	REAL300008278835	0	33	-1.0	-46.68	310.37	6.16	-40.52
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=C2)=C1	REAL300008278836	0	44	-1.0	-49.23	381.06	8.51	-40.72
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C2	REAL300008278837	0	34	-1.0	-46.53	316.06	4.81	-41.72
CC1=C(C)C(C)=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C(C)=C1C	REAL300008278838	0	45	-1.0	-48.40	341.39	7.88	-40.52
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C3OCCCOC3=C1)C2	REAL300008278839	0	39	-1.0	-49.57	333.70	4.91	-44.66
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278840	0	46	-1.0	-49.71	370.53	7.11	-42.60
CN1C=C(Br)C2=CC=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=C21	REAL300008278841	0	37	-1.0	-49.80	346.38	7.36	-42.44
CC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008278842	0	35	-1.0	-54.67	315.10	6.16	-48.51
COC1=CC=C(Br)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278843	0	34	-1.0	-47.85	315.64	5.40	-42.45
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278844	0	48	-1.0	-56.28	372.34	8.61	-47.67
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C2	REAL300008278845	0	33	-1.0	-48.19	310.56	5.80	-42.39
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C3CCCCC3=C1)C2	REAL300008278846	0	40	-1.0	-48.97	332.48	7.50	-41.47
COC1=CC=C(OC)C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278847	0	38	-1.0	-50.58	323.81	4.07	-46.51
COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1OC	REAL300008278848	0	38	-1.0	-49.52	329.61	4.18	-45.34
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C3CCCC3=C1)C2	REAL300008278849	0	37	-1.0	-48.66	316.43	6.87	-41.79
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC3=CC=CC=C3CC1)C2	REAL300008278850	0	38	-1.0	-49.18	324.60	7.43	-41.75
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C3OCCC3=C1)C2	REAL300008278851	0	35	-1.0	-49.16	306.81	4.81	-44.35
CC(C)CCC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278852	0	45	-1.0	-50.14	375.28	8.31	-41.83
CCOC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1OCC	REAL300008278853	0	44	-1.0	-49.17	373.31	6.02	-43.15
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278854	0	35	-1.0	-57.16	326.07	-0.25	-57.41
CC1=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300008278855	0	38	-1.0	-54.09	334.54	6.80	-47.29
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1C	REAL300008278856	0	38	-1.0	-51.68	320.73	6.54	-45.14
CC1=CC2=CC=CC(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)=C2N=C1	REAL300008278857	0	38	-1.0	-53.74	327.45	6.45	-47.29
COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300008278858	0	36	-1.0	-51.04	306.76	5.43	-45.61
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278859	0	34	-1.0	-48.06	311.02	5.28	-42.78
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278860	0	35	-1.0	-54.51	325.20	-0.07	-54.58
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC(S(=O)(=O)NC3CC3)=C1)C2	REAL300008278861	0	42	-1.0	-52.78	379.96	2.84	-49.94
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278862	0	38	-1.0	-51.55	339.47	6.37	-45.18
O=C([O-])C12CC1CN(S(=O)(=O)N1CCC3=CC=CC=C3C1)C2	REAL300008278863	0	39	-1.0	-48.38	327.56	6.26	-42.12
CC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C2=CC=CN=C12	REAL300008278864	0	38	-1.0	-49.94	319.23	5.91	-44.03
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1C	REAL300008278865	0	38	-1.0	-50.41	327.15	7.53	-42.88
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278866	0	41	-1.0	-52.90	365.71	3.02	-49.88
O=C([O-])C12CC1CN(S(=O)(=O)C1=CNC(C(=O)N3CCCC3)=C1)C2	REAL300008278867	0	42	-1.0	-61.22	355.69	4.35	-56.87
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278868	0	36	-1.0	-55.52	331.66	2.50	-53.02
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C2	REAL300008278869	0	40	-1.0	-57.64	327.83	8.03	-49.61
CC1CC(C)CN(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C1	REAL300008278870	0	41	-1.0	-48.11	322.56	5.62	-42.49
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC3=CC=CC=C31)C2	REAL300008278871	0	36	-1.0	-51.96	304.03	6.96	-45.00
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(C3=CC=CC=C3)C=C1)C2	REAL300008278872	0	40	-1.0	-49.57	345.06	8.38	-41.19
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=CC=C12	REAL300008278873	0	44	-1.0	-49.23	357.53	6.83	-42.40
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC3=NSN=C31)C2	REAL300008278874	0	31	-1.0	-50.64	292.60	3.27	-47.37
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278875	0	34	-1.0	-48.04	311.08	5.31	-42.73
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278876	0	45	-1.0	-48.29	361.38	7.76	-40.53
CC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1Cl	REAL300008278877	0	33	-1.0	-46.73	306.36	6.08	-40.65
CC(C)OC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278878	0	40	-1.0	-50.47	341.08	5.65	-44.82
O=C([O-])C12CC1CN(S(=O)(=O)CC1=CC=CC(Cl)=C1)C2	REAL300008278879	0	33	-1.0	-48.19	311.86	6.05	-42.14
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC3=NON=C31)C2	REAL300008278880	0	31	-1.0	-50.31	285.04	3.66	-46.65
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C2	REAL300008278881	0	35	-1.0	-47.78	315.42	6.82	-40.96
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC3=CC=CN=C31)C2	REAL300008278882	0	35	-1.0	-56.10	306.13	5.82	-50.28
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OC3=CC=CC=C3Cl)C=C1)C2	REAL300008278883	0	41	-1.0	-47.94	376.63	8.40	-39.54
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278884	0	36	-1.0	-47.87	322.51	5.44	-42.43
COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1F	REAL300008278885	0	34	-1.0	-48.11	306.59	4.35	-43.76
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OC3=CC=C(Cl)C=C3)C=C1)C2	REAL300008278886	0	41	-1.0	-50.22	378.95	8.23	-41.99
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=C2)C=C1	REAL300008278887	0	45	-1.0	-52.11	391.72	7.01	-45.10
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C(C(C)C)=C1	REAL300008278888	0	57	-1.0	-51.10	428.78	10.68	-40.42
CC(C)OC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C2=CC=CC=C12	REAL300008278889	0	46	-1.0	-50.49	372.75	7.90	-42.59
O=C([O-])C12CC1CN(S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C2	REAL300008278890	0	33	-1.0	-46.56	327.07	6.52	-40.04
COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C2=CC=CC=C12	REAL300008278891	0	40	-1.0	-51.10	332.35	6.31	-44.79
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278892	0	35	-1.0	-45.91	300.32	5.88	-40.03
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278893	0	35	-1.0	-52.63	296.04	5.78	-46.85
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278894	0	38	-1.0	-53.20	325.53	7.05	-46.15
CC(C)CC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278895	0	42	-1.0	-50.32	352.93	7.48	-42.84
COCCC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278896	0	40	-1.0	-50.89	348.39	5.31	-45.58
COCCN(CCOC)S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278897	0	42	-1.0	-56.59	348.35	2.15	-54.44
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278898	0	33	-1.0	-55.64	294.61	5.82	-49.82
COC1=C(C)C=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1C	REAL300008278899	0	40	-1.0	-48.83	343.65	5.90	-42.93
CC(C)CCOC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278900	0	46	-1.0	-48.61	381.98	7.34	-41.27
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OC3CCCC3)C=C1)C2	REAL300008278901	0	44	-1.0	-47.76	365.84	7.16	-40.60
CC(C)COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278902	0	43	-1.0	-48.76	363.02	6.74	-42.02
CCCOC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278903	0	40	-1.0	-48.82	342.91	6.04	-42.78
COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1Cl	REAL300008278904	0	34	-1.0	-47.59	316.40	4.83	-42.76
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C2	REAL300008278905	0	34	-1.0	-48.96	326.15	5.10	-43.86
COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1C	REAL300008278906	0	37	-1.0	-48.54	320.44	5.01	-43.53
CC1=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300008278907	0	43	-1.0	-48.08	360.21	6.55	-41.53
COC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C(C)=C1	REAL300008278908	0	37	-1.0	-48.73	303.99	4.60	-44.13
COCCOC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278909	0	41	-1.0	-51.31	355.04	4.51	-46.80
CC1=CC(Br)=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278910	0	33	-1.0	-46.55	295.84	5.91	-40.64
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1C	REAL300008278911	0	38	-1.0	-52.37	317.42	7.51	-44.86
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278912	0	39	-1.0	-65.82	338.53	2.82	-63.00
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(S(=O)(=O)NC3CC3)C=C1)C2	REAL300008278913	0	42	-1.0	-52.99	379.96	2.82	-50.17
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278914	0	38	-1.0	-57.14	348.44	0.97	-56.17
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278915	0	38	-1.0	-57.27	328.27	2.71	-54.56
CC1=NC(C)=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)S1	REAL300008278916	0	32	-1.0	-48.72	298.16	3.46	-45.26
O=C([O-])C12CC1CN(S(=O)(=O)C1=CSC3=CC=CC=C31)C2	REAL300008278917	0	33	-1.0	-49.09	301.09	6.10	-42.99
COC1=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=CC=C1F	REAL300008278918	0	34	-1.0	-47.64	306.60	4.35	-43.29
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC(C3=CC=CC=C3)=C1)C2	REAL300008278919	0	40	-1.0	-51.84	345.15	8.39	-43.45
O=C([O-])C12CC1CN(S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C2	REAL300008278920	0	33	-1.0	-46.92	328.63	6.55	-40.37
CC1=NC(C2=CC=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)S2)=CS1	REAL300008278921	0	36	-1.0	-50.13	350.40	5.54	-44.59
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OCC3CCCCC3)C=C1)C2	REAL300008278922	0	50	-1.0	-47.99	405.52	8.60	-39.39
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278923	0	38	-1.0	-65.75	330.21	6.23	-59.52
CNC(=O)C1=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=CN1C	REAL300008278924	0	38	-1.0	-52.45	333.71	2.67	-49.78
COC1=CC(C)=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C(C)=C1	REAL300008278925	0	40	-1.0	-51.93	324.04	5.48	-46.45
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C3C(=C1)CC1=CC=CC=C13)C2	REAL300008278926	0	41	-1.0	-50.19	355.10	9.09	-41.10
COC1=CC(C)=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1C	REAL300008278927	0	40	-1.0	-49.09	321.62	5.29	-43.80
CC1=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300008278928	0	38	-1.0	-50.89	315.61	6.17	-44.72
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC3=CN=CC=C31)C2	REAL300008278929	0	35	-1.0	-62.24	300.96	5.08	-57.16
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CC3CC3(C(=O)[O-])C1)=C2	REAL300008278930	0	43	-1.0	-51.83	370.77	8.82	-43.01
CCN1C=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300008278931	0	35	-1.0	-52.74	313.61	5.33	-47.41
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C2	REAL300008278932	0	37	-1.0	-50.90	340.99	5.70	-45.20
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OCC3=CC=CC=C3)C=C1)C2	REAL300008278933	0	44	-1.0	-52.87	383.07	8.08	-44.79
CCC(=O)C1=CC=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278934	0	38	-1.0	-53.98	333.15	6.28	-47.70
O=C([O-])C12CC1CN(S(=O)(=O)C1=CN(CC3=CC=CC=C3)N=C1)C2	REAL300008278935	0	40	-1.0	-50.60	355.74	6.58	-44.02
O=C([O-])C12CC1CN(S(=O)(=O)C1=CN=C3NC=CC=C13)C2	REAL300008278936	0	33	-1.0	-64.42	298.01	4.13	-60.29
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278937	0	52	-1.0	-58.60	408.82	7.82	-50.78
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278938	0	38	-1.0	-54.32	343.64	1.73	-52.59
CCOC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C2=CC=CC=C12	REAL300008278939	0	43	-1.0	-50.64	354.21	7.24	-43.40
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278940	0	40	-1.0	-50.80	337.52	6.37	-44.43
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC(N3C=NN=N3)=C1)C2	REAL300008278941	0	35	-1.0	-57.15	318.41	5.19	-51.96
O=C([O-])C12CC1CN(S(=O)(=O)C1=CN(C3=CC=CC=C3)N=C1)C2	REAL300008278942	0	37	-1.0	-52.59	330.33	6.13	-46.46
CCOCCOC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278943	0	44	-1.0	-51.30	376.90	5.48	-45.82
CCCCCOC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278944	0	46	-1.0	-48.73	385.91	7.60	-41.13
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC3=C1CCCC3)C2	REAL300008278945	0	40	-1.0	-48.51	313.32	7.04	-41.47
O=C([O-])C12CC1CN(S(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C2	REAL300008278946	0	36	-1.0	-50.37	321.86	6.69	-43.68
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C2	REAL300008278947	0	34	-1.0	-46.50	326.45	6.48	-40.02
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C3COCC3=C1)C2	REAL300008278948	0	35	-1.0	-48.89	306.04	4.31	-44.58
O=C([O-])C12CC1CN(S(=O)(=O)CC1=CC=CC3=CC=CN=C31)C2	REAL300008278949	0	38	-1.0	-55.85	333.57	6.30	-49.55
O=C([O-])C12CC1CN(S(=O)(=O)C1CCS(=O)(=O)CC1)C2	REAL300008278950	0	36	-1.0	-69.72	311.50	1.24	-68.48
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(N3C=NN=N3)C=C1)C2	REAL300008278951	0	35	-1.0	-51.25	319.63	4.98	-46.27
CCOC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C(C)=C1	REAL300008278952	0	40	-1.0	-48.43	325.87	5.52	-42.91
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278953	0	38	-1.0	-54.30	347.57	1.15	-53.15
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC=C1OC(F)F)C2	REAL300008278954	0	34	-1.0	-50.59	304.06	5.03	-45.56
CSC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278955	0	34	-1.0	-49.05	310.27	6.04	-43.01
O=C([O-])C12CC1CN(S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C2	REAL300008278956	0	36	-1.0	-48.18	334.19	6.56	-41.62
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278957	0	41	-1.0	-60.08	342.88	6.77	-53.31
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC3=C1OCCO3)C2	REAL300008278958	0	36	-1.0	-50.62	309.03	4.57	-46.05
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC3=NC=CC=C31)C2	REAL300008278959	0	35	-1.0	-58.25	300.66	4.97	-53.28
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC3=CC=C(OC(F)F)C=C3CC1)C2	REAL300008278960	0	42	-1.0	-53.51	365.53	6.78	-46.73
CC1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300008278961	0	36	-1.0	-50.14	325.30	6.49	-43.65
O=C([O-])C12CC1CN(S(=O)(=O)C1=CSC(C3=CC=C(F)C=C3)=N1)C2	REAL300008278962	0	36	-1.0	-49.74	338.45	6.02	-43.72
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C3C(=O)CCCC3=C1)C2	REAL300008278963	0	39	-1.0	-49.71	334.91	6.61	-43.10
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=C12	REAL300008278964	0	38	-1.0	-51.44	337.19	4.70	-46.74
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278965	0	37	-1.0	-52.05	339.36	5.60	-46.45
COCC1=CC=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278966	0	37	-1.0	-51.31	326.02	4.70	-46.61
CC1(C)CC2=CC=CC(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)=C2O1	REAL300008278967	0	41	-1.0	-64.19	347.96	6.09	-58.10
O=C([O-])C12CC1CN(S(=O)(=O)CC1=CC=CC=C1Cl)C2	REAL300008278968	0	33	-1.0	-52.66	308.64	5.98	-46.68
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(N3CCCS3(=O)=O)C=C1)C2	REAL300008278969	0	42	-1.0	-59.44	367.47	3.47	-55.97
O=C([O-])C12CC1CN(S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C2	REAL300008278970	0	37	-1.0	-47.88	341.61	5.34	-42.54
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC3=C(C=C1[N+](=O)[O-])OCCO3)C2	REAL300008278971	0	38	-1.0	-51.78	327.80	5.37	-46.41
O=C([O-])C12CC1CN(S(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C2	REAL300008278972	0	33	-1.0	-52.05	322.17	6.42	-45.63
CC1CC2=CC(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)=CC=C2O1	REAL300008278973	0	38	-1.0	-49.18	327.94	5.58	-43.60
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008278974	0	42	-1.0	-57.24	322.50	7.86	-49.38
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278975	0	42	-1.0	-54.30	349.88	3.56	-50.74
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(OC3=CC=CC(Cl)=C3)C=C1)C2	REAL300008278976	0	41	-1.0	-50.66	376.36	8.34	-42.32
O=C([O-])C12CC1CN(S(=O)(=O)C1=CSC(C3=CC=CC=C3)=N1)C2	REAL300008278977	0	36	-1.0	-50.60	332.08	5.94	-44.66
O=C([O-])C12CC1CN(S(=O)(=O)C1=CSC(C3=CC=C(Cl)C=C3)=N1)C2	REAL300008278978	0	36	-1.0	-49.38	348.77	6.47	-42.91
CC1=NC(C2=CC=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=C2)=CO1	REAL300008278979	0	39	-1.0	-54.11	347.76	3.86	-50.25
CN1C=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300008278980	0	33	-1.0	-56.07	296.87	3.34	-52.73
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC3=CC=CC=C3O1)C2	REAL300008278981	0	33	-1.0	-52.80	300.71	5.38	-47.42
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C3OCOC3=C1)C2	REAL300008278982	0	33	-1.0	-48.63	296.99	3.65	-44.98
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C3OCCCC3=C1)C2	REAL300008278983	0	38	-1.0	-49.25	323.46	5.65	-43.60
O=C([O-])C12CC1CN(S(=O)(=O)C1CC3=CC=CC=C3C1)C2	REAL300008278984	0	37	-1.0	-61.53	316.93	6.74	-54.79
CC1=CC=C(N2C=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=N2)C=C1	REAL300008278985	0	40	-1.0	-50.50	351.73	6.81	-43.69
CC1CC2=CC(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300008278986	0	38	-1.0	-50.19	343.51	6.12	-44.07
CC1=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300008278987	0	35	-1.0	-47.77	315.09	6.15	-41.62
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=N1	REAL300008278988	0	41	-1.0	-55.47	358.62	5.72	-49.75
O=C([O-])C12CC1CN(S(=O)(=O)C1=CN=C3C=CSC3=C1)C2	REAL300008278989	0	32	-1.0	-49.44	302.06	4.49	-44.95
CN(C)C1=CC=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)C=C1	REAL300008278990	0	38	-1.0	-50.17	322.44	5.39	-44.78
CC1=CC2=CC=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=C2C=C1	REAL300008278991	0	39	-1.0	-50.11	337.05	7.94	-42.17
COC1=C(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)SC=C1	REAL300008278992	0	31	-1.0	-51.67	291.26	4.02	-47.65
CN(C)C1=CC=CC(S(=O)(=O)N2CC3CC3(C(=O)[O-])C2)=C1	REAL300008278993	0	38	-1.0	-49.61	321.17	5.41	-44.20
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=CC3=C1OCC3)C2	REAL300008278994	0	35	-1.0	-50.91	304.00	4.81	-46.10
O=C([O-])C12CC1CN(S(=O)(=O)CC1=NOC3=CC=CC=C31)C2	REAL300008278995	0	35	-1.0	-57.11	317.03	5.10	-52.01
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C3CCOC3=C1)C2	REAL300008278996	0	35	-1.0	-49.96	305.57	4.86	-45.10
O=C([O-])C12CC1CN(S(=O)(=O)CCC1=CC=C(Cl)C=C1)C2	REAL300008278997	0	36	-1.0	-61.11	332.01	6.87	-54.24
CN1CCCC2=CC=C(S(=O)(=O)N3CC4CC4(C(=O)[O-])C3)C=C21	REAL300008278998	0	42	-1.0	-49.31	344.54	5.58	-43.73
O=C([O-])C12CC1CN(S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C2	REAL300008278999	0	32	-1.0	-48.81	305.56	4.33	-44.48
COC1=CC=CC(OC)=C1S(=O)(=O)N1CC2CC2(C(=O)[O-])C1	REAL300008279000	0	38	-1.0	-65.64	324.13	5.35	-60.29
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281757	0	36	-1.0	-58.19	294.77	4.16	-54.03
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281758	0	43	-1.0	-59.86	341.99	4.62	-55.24
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300008281759	0	43	-1.0	-55.51	366.96	1.47	-54.04
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008281760	0	50	-1.0	-43.30	355.26	5.97	-37.33
CC1=NC2=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C=CC=C2C=C1	REAL300008281761	0	40	-1.0	-62.77	318.89	6.10	-56.67
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008281762	0	40	-1.0	-66.32	340.16	6.27	-60.05
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008281763	0	43	-1.0	-57.07	353.16	2.93	-54.14
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281764	0	46	-1.0	-60.91	381.00	5.50	-55.41
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281765	0	46	-1.0	-61.29	377.06	5.58	-55.71
CCCN1C=NC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281766	0	38	-1.0	-58.08	316.44	5.76	-52.32
COCCOCCOCCS(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281767	0	46	-1.0	-58.14	383.19	1.79	-56.35
CC(COC1CCCC1)CS(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281768	0	48	-1.0	-58.36	375.09	5.87	-52.49
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281769	0	39	-1.0	-51.05	343.87	4.81	-46.24
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008281770	0	40	-1.0	-54.01	334.65	2.31	-51.70
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281771	0	36	-1.0	-51.34	325.91	4.43	-46.91
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008281772	0	36	-1.0	-53.25	302.10	4.49	-48.76
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008281773	0	38	-1.0	-49.18	329.55	5.36	-43.82
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281774	0	38	-1.0	-51.44	328.84	6.29	-45.15
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281775	0	38	-1.0	-52.59	326.79	6.21	-46.38
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300008281776	0	38	-1.0	-49.65	329.53	6.02	-43.63
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281777	0	41	-1.0	-56.90	324.57	6.34	-50.56
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CCCN1CCOCC1	REAL300008281778	0	44	-1.0	-62.22	349.56	1.35	-60.87
CCOC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281779	0	39	-1.0	-54.66	326.46	4.73	-49.93
COCCN1C=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=N1	REAL300008281780	0	39	-1.0	-56.29	335.75	2.01	-54.28
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008281781	0	39	-1.0	-57.35	339.48	5.05	-52.30
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1C	REAL300008281782	0	59	-1.0	-56.09	459.45	8.84	-47.25
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008281783	0	40	-1.0	-59.22	348.17	6.64	-52.58
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008281784	0	37	-1.0	-56.89	316.63	4.72	-52.17
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008281785	0	35	-1.0	-61.90	320.71	5.69	-56.21
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC=C1Br	REAL300008281786	0	35	-1.0	-56.81	313.80	5.84	-50.97
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008281787	0	39	-1.0	-72.25	340.47	2.22	-70.03
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281788	0	35	-1.0	-51.49	318.02	5.78	-45.71
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281789	0	35	-1.0	-51.15	306.02	5.71	-45.44
COCC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281790	0	39	-1.0	-55.52	322.56	4.47	-51.05
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300008281791	0	36	-1.0	-49.61	323.94	4.59	-45.02
COC1=CC(OC)=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300008281792	0	40	-1.0	-56.83	332.42	4.24	-52.59
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008281793	0	35	-1.0	-59.34	319.98	3.47	-55.87
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008281794	0	35	-1.0	-57.66	315.07	3.24	-54.42
CC1(C)CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300008281795	0	43	-1.0	-56.42	352.89	5.61	-50.81
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008281796	0	35	-1.0	-60.02	316.34	3.45	-56.57
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281797	0	43	-1.0	-62.50	328.09	2.52	-59.98
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281798	0	44	-1.0	-56.76	378.77	3.72	-53.04
CSC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281799	0	36	-1.0	-47.59	303.87	5.29	-42.30
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300008281800	0	40	-1.0	-54.47	352.98	1.39	-53.08
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281801	0	46	-1.0	-54.80	394.27	2.29	-52.51
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281802	0	43	-1.0	-72.17	353.88	4.47	-67.70
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300008281803	0	43	-1.0	-53.45	374.45	2.28	-51.17
CCC1=CC=C(CS(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281804	0	41	-1.0	-57.64	340.54	6.74	-50.90
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CS1	REAL300008281805	0	35	-1.0	-59.57	311.17	4.95	-54.62
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008281806	0	47	-1.0	-54.12	387.78	5.06	-49.06
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008281807	0	44	-1.0	-58.93	365.19	4.45	-54.48
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281808	0	41	-1.0	-58.47	357.28	2.92	-55.55
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281809	0	42	-1.0	-66.06	348.25	1.60	-64.46
CC1=CC=C(CS(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300008281810	0	41	-1.0	-62.81	337.84	6.28	-56.53
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300008281811	0	39	-1.0	-51.13	345.79	5.51	-45.62
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300008281812	0	46	-1.0	-55.03	383.31	7.57	-47.46
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008281813	0	36	-1.0	-53.03	312.43	4.94	-48.09
COC1=CC=C(Br)C(CS(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281814	0	39	-1.0	-61.42	345.61	4.93	-56.49
CC1(C)CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])CCO1	REAL300008281815	0	41	-1.0	-51.78	320.22	2.83	-48.95
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C=C2S1	REAL300008281816	0	46	-1.0	-52.00	388.09	6.45	-45.55
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281817	0	39	-1.0	-57.74	327.73	5.27	-52.47
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300008281818	0	44	-1.0	-53.75	365.85	6.05	-47.70
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281819	0	39	-1.0	-63.01	338.57	-0.78	-63.79
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008281820	0	38	-1.0	-54.07	329.84	5.63	-48.44
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008281821	0	35	-1.0	-51.08	330.75	6.45	-44.63
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008281822	0	38	-1.0	-56.78	340.28	7.18	-49.60
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300008281823	0	35	-1.0	-53.42	327.51	6.50	-46.92
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008281824	0	38	-1.0	-59.00	331.78	7.49	-51.51
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008281825	0	38	-1.0	-58.85	336.81	6.13	-52.72
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008281826	0	43	-1.0	-57.27	354.99	5.93	-51.34
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008281827	0	46	-1.0	-58.25	372.91	7.57	-50.68
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281828	0	45	-1.0	-61.62	383.22	5.91	-55.71
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008281829	0	43	-1.0	-62.48	374.71	1.54	-60.94
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008281830	0	41	-1.0	-52.93	344.84	7.49	-45.44
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1N(C)C	REAL300008281831	0	43	-1.0	-53.79	350.02	5.17	-48.62
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300008281832	0	38	-1.0	-60.49	337.12	6.29	-54.20
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008281833	0	37	-1.0	-58.94	298.92	1.30	-57.64
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CCOCC1CCCC1	REAL300008281834	0	45	-1.0	-54.01	359.45	4.94	-49.07
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300008281835	0	39	-1.0	-54.78	335.57	5.16	-49.62
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281836	0	41	-1.0	-73.84	360.43	2.59	-71.25
CSC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300008281837	0	36	-1.0	-50.94	329.24	6.09	-44.85
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281838	0	44	-1.0	-53.44	351.60	4.96	-48.48
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008281839	0	40	-1.0	-49.33	345.17	3.18	-46.15
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C=C12	REAL300008281840	0	39	-1.0	-52.98	336.66	2.09	-50.89
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008281841	0	43	-1.0	-52.66	372.01	4.21	-48.45
CN1N=CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])=CN=C21	REAL300008281842	0	37	-1.0	-52.03	319.46	3.64	-48.39
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008281843	0	38	-1.0	-51.20	341.14	7.50	-43.70
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(CC)=C1	REAL300008281844	0	50	-1.0	-51.46	374.17	9.20	-42.26
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008281845	0	39	-1.0	-60.94	321.09	4.53	-56.41
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008281846	0	38	-1.0	-49.71	343.72	2.59	-47.12
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008281847	0	41	-1.0	-64.19	340.84	8.24	-55.95
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(C)=C1F	REAL300008281848	0	39	-1.0	-53.24	325.28	4.55	-48.69
CC1(CS(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])CCCCC1	REAL300008281849	0	44	-1.0	-57.82	324.54	5.98	-51.84
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008281850	0	41	-1.0	-53.61	335.82	6.03	-47.58
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008281852	0	40	-1.0	-50.08	344.61	5.77	-44.31
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281853	0	39	-1.0	-56.08	347.30	4.60	-51.48
CC1=CC=C(CS(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300008281854	0	38	-1.0	-59.46	324.90	5.89	-53.57
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008281856	0	32	-1.0	-52.57	308.56	4.60	-47.97
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008281857	0	45	-1.0	-62.36	364.41	7.65	-54.71
CC(C)(C)C1=CC(CS(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=NO1	REAL300008281858	0	43	-1.0	-59.84	356.17	5.20	-54.64
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008281859	0	41	-1.0	-69.66	336.87	1.53	-68.13
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008281860	0	35	-1.0	-54.06	312.18	4.85	-49.21
CC1=C(CCS(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])SC=N1	REAL300008281861	0	37	-1.0	-60.11	324.84	3.59	-56.52
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CC12CCC(CC1)C2	REAL300008281862	0	42	-1.0	-58.94	323.10	5.86	-53.08
COC1=CC=C2C=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])CCC2=C1	REAL300008281863	0	44	-1.0	-57.68	360.08	6.07	-51.61
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CC12CCC(CC1)CC2	REAL300008281864	0	45	-1.0	-62.23	333.38	6.37	-55.86
CC(C)(CCS(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])S(C)(=O)=O	REAL300008281865	0	43	-1.0	-67.16	348.29	1.60	-65.56
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CC1CCCCC1(F)F	REAL300008281866	0	41	-1.0	-54.21	327.62	5.49	-48.72
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008281867	0	39	-1.0	-57.75	325.42	6.58	-51.17
CCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008281868	0	40	-1.0	-53.37	337.53	6.33	-47.04
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008281869	0	32	-1.0	-50.47	291.84	5.02	-45.45
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008281870	0	32	-1.0	-50.31	296.41	5.13	-45.18
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008281871	0	34	-1.0	-49.15	303.34	5.18	-43.97
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008281872	0	38	-1.0	-53.67	319.89	6.90	-46.77
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008281873	0	34	-1.0	-54.47	302.25	5.29	-49.18
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281874	0	37	-1.0	-56.39	318.63	5.90	-50.49
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008281875	0	34	-1.0	-67.30	296.63	5.89	-61.41
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281876	0	39	-1.0	-57.48	330.47	5.74	-51.74
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281877	0	39	-1.0	-56.16	326.76	4.60	-51.56
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1C	REAL300008281878	0	44	-1.0	-53.18	336.48	7.18	-46.00
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300008281879	0	41	-1.0	-52.92	323.75	6.75	-46.17
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281880	0	47	-1.0	-55.00	366.26	7.71	-47.29
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008281881	0	35	-1.0	-52.99	314.20	5.52	-47.47
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008281882	0	35	-1.0	-58.92	296.93	5.84	-53.08
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008281883	0	32	-1.0	-52.64	291.83	5.02	-47.62
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281884	0	37	-1.0	-55.54	316.35	4.92	-50.62
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008281885	0	38	-1.0	-56.30	330.63	5.25	-51.05
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281886	0	44	-1.0	-53.08	351.32	6.83	-46.25
CC(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281887	0	41	-1.0	-53.18	335.35	6.44	-46.74
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281888	0	43	-1.0	-54.80	370.71	2.50	-52.30
CCCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281889	0	41	-1.0	-53.40	339.51	6.73	-46.67
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300008281890	0	36	-1.0	-51.49	323.94	4.59	-46.90
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300008281891	0	35	-1.0	-50.36	314.59	5.69	-44.67
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C=C2)=C1	REAL300008281892	0	46	-1.0	-51.78	385.28	7.89	-43.89
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008281893	0	36	-1.0	-52.98	321.41	4.17	-48.81
CC1=C(C)C(C)=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300008281894	0	47	-1.0	-55.32	348.59	7.40	-47.92
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008281895	0	41	-1.0	-54.35	337.93	4.44	-49.91
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281896	0	48	-1.0	-59.24	363.75	6.39	-52.85
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008281897	0	37	-1.0	-54.47	318.25	5.81	-48.66
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281898	0	36	-1.0	-57.46	309.69	4.72	-52.74
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281899	0	50	-1.0	-52.07	378.55	8.40	-43.67
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008281900	0	35	-1.0	-52.93	314.55	5.34	-47.59
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008281901	0	42	-1.0	-57.82	338.25	6.87	-50.95
COC1=CC=C(OC)C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281902	0	40	-1.0	-60.84	317.73	3.38	-57.46
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300008281903	0	40	-1.0	-54.03	333.86	3.71	-50.32
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008281904	0	39	-1.0	-57.83	321.03	6.28	-51.55
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008281905	0	40	-1.0	-57.35	330.64	6.77	-50.58
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008281906	0	37	-1.0	-56.66	311.40	4.22	-52.44
CC(C)CCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281907	0	47	-1.0	-56.72	379.27	7.85	-48.87
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1OCC	REAL300008281908	0	46	-1.0	-53.67	377.55	5.55	-48.12
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281909	0	37	-1.0	-59.41	330.06	-0.70	-60.11
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300008281910	0	40	-1.0	-50.72	334.43	6.01	-44.71
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1C	REAL300008281911	0	40	-1.0	-56.30	334.30	6.88	-49.42
CC1=CC2=CC=CC(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])=C2N=C1	REAL300008281912	0	40	-1.0	-61.55	320.14	6.27	-55.28
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008281913	0	38	-1.0	-60.57	321.83	5.25	-55.32
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281914	0	36	-1.0	-54.62	304.47	4.74	-49.88
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281915	0	37	-1.0	-57.38	328.22	-0.42	-57.80
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008281916	0	44	-1.0	-56.33	384.12	2.35	-53.98
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281917	0	40	-1.0	-56.75	343.89	5.83	-50.92
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008281918	0	41	-1.0	-53.94	332.06	5.82	-48.12
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C2=CC=CN=C12	REAL300008281919	0	40	-1.0	-56.06	329.49	6.11	-49.95
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300008281920	0	40	-1.0	-61.81	329.91	7.28	-54.53
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281921	0	43	-1.0	-59.24	371.45	2.47	-56.77
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008281922	0	44	-1.0	-62.46	361.05	3.85	-58.61
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281923	0	38	-1.0	-60.82	335.81	2.03	-58.79
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008281924	0	42	-1.0	-56.86	337.61	8.42	-48.44
CC1CC(C)CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C1	REAL300008281925	0	43	-1.0	-53.39	333.88	5.00	-48.39
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008281926	0	38	-1.0	-57.41	315.13	6.97	-50.44
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008281927	0	42	-1.0	-53.93	349.30	7.92	-46.01
CC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281928	0	35	-1.0	-54.95	296.51	5.38	-49.57
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C=CC=C12	REAL300008281929	0	46	-1.0	-54.71	369.04	6.68	-48.03
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008281930	0	33	-1.0	-57.74	286.57	2.89	-54.85
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281931	0	36	-1.0	-57.63	305.12	4.61	-53.02
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281932	0	47	-1.0	-56.30	366.25	7.13	-49.17
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300008281933	0	35	-1.0	-51.82	310.59	5.61	-46.21
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281934	0	42	-1.0	-52.69	344.40	5.35	-47.34
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008281935	0	35	-1.0	-61.91	316.15	5.59	-56.32
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008281936	0	33	-1.0	-58.91	284.70	3.20	-55.71
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008281937	0	37	-1.0	-56.32	331.11	6.95	-49.37
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008281938	0	37	-1.0	-63.19	299.99	5.53	-57.66
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008281939	0	43	-1.0	-51.83	379.96	7.74	-44.09
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281940	0	38	-1.0	-52.28	315.96	4.89	-47.39
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300008281941	0	36	-1.0	-51.84	309.74	3.99	-47.85
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300008281942	0	35	-1.0	-52.00	301.85	5.21	-46.79
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008281943	0	43	-1.0	-52.18	380.55	7.87	-44.31
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300008281944	0	47	-1.0	-53.46	393.33	6.65	-46.81
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(C(C)C)=C1	REAL300008281945	0	59	-1.0	-56.62	427.29	10.57	-46.05
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008281946	0	48	-1.0	-55.04	384.78	7.96	-47.08
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008281947	0	35	-1.0	-60.68	331.64	6.04	-54.64
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008281948	0	42	-1.0	-55.63	343.45	6.33	-49.30
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281949	0	37	-1.0	-50.14	318.33	5.96	-44.18
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281950	0	37	-1.0	-55.03	313.20	5.76	-49.27
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281951	0	40	-1.0	-57.16	334.91	6.87	-50.29
CC(C)CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281952	0	44	-1.0	-56.85	356.97	7.03	-49.82
COCCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281953	0	42	-1.0	-53.66	351.68	5.02	-48.64
COCCN(CCOC)S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281954	0	44	-1.0	-56.11	347.72	2.37	-53.74
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281955	0	35	-1.0	-54.57	306.82	5.83	-48.74
COC1=C(C)C=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300008281956	0	42	-1.0	-52.17	346.46	5.31	-46.86
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281957	0	48	-1.0	-55.47	387.33	6.71	-48.76
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008281958	0	46	-1.0	-51.81	368.41	6.53	-45.28
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281959	0	45	-1.0	-55.74	368.36	6.10	-49.64
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281960	0	42	-1.0	-55.77	348.26	5.40	-50.37
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300008281961	0	36	-1.0	-51.48	319.55	4.48	-47.00
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008281962	0	36	-1.0	-51.33	329.30	4.75	-46.58
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300008281963	0	39	-1.0	-53.41	324.66	4.55	-48.86
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300008281964	0	45	-1.0	-53.01	364.46	6.10	-46.91
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300008281965	0	39	-1.0	-54.43	320.31	4.51	-49.92
COCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281966	0	43	-1.0	-55.23	360.09	4.00	-51.23
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC=C1F	REAL300008281967	0	35	-1.0	-59.16	302.29	5.32	-53.84
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281968	0	35	-1.0	-51.98	311.40	5.93	-46.05
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1C	REAL300008281969	0	40	-1.0	-62.34	323.23	7.47	-54.87
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281970	0	41	-1.0	-64.45	351.10	2.75	-61.70
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008281971	0	44	-1.0	-54.96	384.14	2.36	-52.60
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281972	0	40	-1.0	-58.47	352.43	0.51	-57.96
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281973	0	40	-1.0	-58.10	333.63	2.78	-55.32
CC1=NC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])S1	REAL300008281974	0	34	-1.0	-56.40	296.20	3.10	-53.30
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300008281975	0	35	-1.0	-52.99	310.73	5.99	-47.00
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300008281976	0	36	-1.0	-50.03	309.75	3.99	-46.04
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008281977	0	42	-1.0	-55.94	349.32	7.92	-48.02
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008281978	0	35	-1.0	-59.85	333.04	6.10	-53.75
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])S2)=CS1	REAL300008281979	0	38	-1.0	-53.15	354.57	5.05	-48.10
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008281980	0	52	-1.0	-52.37	409.69	8.12	-44.25
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281981	0	40	-1.0	-62.72	321.41	6.18	-56.54
CNC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=CN1C	REAL300008281982	0	40	-1.0	-55.41	339.25	2.15	-53.26
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300008281983	0	42	-1.0	-52.21	330.62	5.29	-46.92
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008281984	0	43	-1.0	-57.68	359.70	8.49	-49.19
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300008281985	0	42	-1.0	-53.89	339.57	5.43	-48.46
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008281986	0	40	-1.0	-52.85	320.51	5.68	-47.17
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008281987	0	37	-1.0	-59.22	311.17	5.00	-54.22
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])=C2	REAL300008281988	0	45	-1.0	-60.44	375.30	8.21	-52.23
CCN1C=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008281989	0	37	-1.0	-60.68	325.34	5.28	-55.40
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008281990	0	39	-1.0	-54.54	346.03	5.19	-49.35
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008281991	0	46	-1.0	-57.06	386.67	7.66	-49.40
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])=C1	REAL300008281992	0	40	-1.0	-62.79	338.18	5.77	-57.02
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008281993	0	42	-1.0	-57.99	361.99	5.96	-52.03
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008281994	0	35	-1.0	-67.99	303.35	3.70	-64.29
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281995	0	54	-1.0	-46.16	408.84	7.21	-38.95
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C=C1	REAL300008281996	0	40	-1.0	-59.94	352.35	1.13	-58.81
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008281997	0	35	-1.0	-62.45	305.83	5.14	-57.31
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008281998	0	45	-1.0	-55.35	365.80	7.12	-48.23
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL300008281999	0	42	-1.0	-59.48	330.81	5.80	-53.68
O=C([O-])[C@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008282000	0	37	-1.0	-63.88	323.45	4.69	-59.19
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300008285828	0	36	-1.0	-51.02	318.46	5.46	-45.56
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300008285829	0	43	-1.0	-57.60	375.55	5.52	-52.08
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300008285830	0	43	-1.0	-52.06	379.19	2.40	-49.66
C=CCN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008285831	0	50	-1.0	-46.47	373.41	7.07	-39.40
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300008285832	0	40	-1.0	-58.77	342.20	7.05	-51.72
C=CCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008285833	0	40	-1.0	-60.80	352.35	7.38	-53.42
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008285834	0	43	-1.0	-50.90	365.96	4.01	-46.89
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300008285835	0	46	-1.0	-55.71	404.49	6.66	-49.05
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300008285836	0	46	-1.0	-51.99	399.32	6.78	-45.21
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CCC)C=N1	REAL300008285837	0	38	-1.0	-49.45	335.23	6.19	-43.26
C=CCN(CCC(=O)[O-])S(=O)(=O)CCOCCOCCOC	REAL300008285838	0	46	-1.0	-53.13	393.33	2.63	-50.50
C=CCN(CCC(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300008285839	0	48	-1.0	-50.50	388.25	6.85	-43.65
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300008285840	0	39	-1.0	-47.60	356.52	5.75	-41.85
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008285841	0	40	-1.0	-46.95	346.02	3.18	-43.77
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300008285842	0	36	-1.0	-47.93	339.07	5.39	-42.54
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008285843	0	36	-1.0	-45.63	328.22	5.71	-39.92
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300008285844	0	38	-1.0	-47.80	343.81	6.21	-41.59
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300008285845	0	38	-1.0	-46.27	343.62	7.29	-38.98
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300008285846	0	38	-1.0	-49.25	335.10	6.92	-42.33
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300008285847	0	38	-1.0	-45.40	341.77	6.95	-38.45
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300008285848	0	41	-1.0	-53.13	339.49	7.37	-45.76
C=CCN(CCC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300008285849	0	44	-1.0	-49.11	360.87	2.43	-46.68
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OCC)=C1	REAL300008285850	0	39	-1.0	-52.38	338.70	5.66	-46.72
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300008285851	0	39	-1.0	-46.65	347.71	3.05	-43.60
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008285852	0	39	-1.0	-49.93	351.77	5.99	-43.94
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(CCCCCCCC)N=C1C	REAL300008285853	0	59	-1.0	-50.71	472.73	9.95	-40.76
C=CCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008285854	0	40	-1.0	-51.42	360.66	7.63	-43.79
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008285855	0	37	-1.0	-52.34	329.47	5.83	-46.51
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008285856	0	35	-1.0	-51.70	332.49	6.82	-44.88
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300008285857	0	35	-1.0	-51.20	327.73	6.75	-44.45
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008285858	0	39	-1.0	-59.87	352.95	3.34	-56.53
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300008285859	0	35	-1.0	-48.86	331.00	6.74	-42.12
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300008285860	0	35	-1.0	-47.45	321.89	6.82	-40.63
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300008285861	0	39	-1.0	-49.36	336.58	5.58	-43.78
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300008285862	0	36	-1.0	-46.98	338.21	5.44	-41.54
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300008285863	0	40	-1.0	-49.54	357.53	5.25	-44.29
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008285864	0	35	-1.0	-50.14	332.79	4.55	-45.59
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008285865	0	35	-1.0	-51.57	327.05	4.29	-47.28
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008285866	0	43	-1.0	-49.48	365.78	6.71	-42.77
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008285867	0	35	-1.0	-56.11	325.93	4.61	-51.50
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC	REAL300008285868	0	43	-1.0	-53.69	362.64	4.05	-49.64
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1	REAL300008285869	0	44	-1.0	-54.71	391.08	4.65	-50.06
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300008285870	0	36	-1.0	-50.39	313.26	6.17	-44.22
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008285871	0	40	-1.0	-51.59	367.24	2.24	-49.35
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NCCC)C=C1	REAL300008285872	0	46	-1.0	-51.89	406.57	3.23	-48.66
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300008285873	0	43	-1.0	-50.03	357.32	5.16	-44.87
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300008285874	0	43	-1.0	-50.67	388.70	3.13	-47.54
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(CC)C=C1	REAL300008285875	0	41	-1.0	-50.93	354.08	7.65	-43.28
C=CCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CS1	REAL300008285876	0	35	-1.0	-49.96	322.92	6.08	-43.88
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008285877	0	47	-1.0	-53.24	402.04	5.90	-47.34
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008285878	0	44	-1.0	-51.12	382.79	5.21	-45.91
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300008285879	0	41	-1.0	-53.89	370.46	3.88	-50.01
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300008285880	0	42	-1.0	-58.96	372.76	2.91	-56.05
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C(C)=C1	REAL300008285881	0	41	-1.0	-51.56	349.61	7.41	-44.15
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(Br)=C1	REAL300008285882	0	39	-1.0	-46.81	360.05	6.35	-40.46
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300008285883	0	46	-1.0	-48.21	395.50	8.50	-39.71
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008285884	0	36	-1.0	-45.66	338.54	6.17	-39.49
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300008285885	0	39	-1.0	-50.31	357.14	6.04	-44.27
C=CCN(CCC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1	REAL300008285886	0	41	-1.0	-46.27	332.32	3.57	-42.70
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008285887	0	46	-1.0	-49.36	400.36	7.39	-41.97
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300008285888	0	39	-1.0	-50.63	351.56	6.58	-44.05
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300008285889	0	44	-1.0	-50.21	378.02	6.97	-43.24
C=CCN(CCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300008285890	0	39	-1.0	-55.08	351.28	0.23	-54.85
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300008285891	0	38	-1.0	-50.62	337.95	6.67	-43.95
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008285892	0	35	-1.0	-48.52	344.29	7.42	-41.10
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300008285893	0	38	-1.0	-51.16	348.64	8.13	-43.03
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008285894	0	35	-1.0	-46.62	327.81	6.96	-39.66
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008285898	0	46	-1.0	-52.21	395.77	8.85	-43.36
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008285904	0	37	-1.0	-54.14	315.87	2.50	-51.64
C=CCN(CCC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300008285905	0	45	-1.0	-48.45	372.17	5.95	-42.50
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300008285908	0	36	-1.0	-46.68	343.50	6.93	-39.75
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(CC)C2=C1	REAL300008285911	0	39	-1.0	-46.46	350.80	3.23	-43.23
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008285912	0	43	-1.0	-49.64	384.88	5.30	-44.34
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008285913	0	37	-1.0	-47.70	331.74	4.56	-43.14
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(CC)C=C(CC)C=C1CC	REAL300008285915	0	50	-1.0	-46.16	391.39	9.82	-36.34
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008285916	0	39	-1.0	-50.59	333.69	5.47	-45.12
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008285917	0	38	-1.0	-46.59	356.92	3.53	-43.06
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008285918	0	41	-1.0	-55.73	354.62	9.25	-46.48
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300008285919	0	39	-1.0	-46.74	330.62	5.25	-41.49
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300008285920	0	44	-1.0	-47.10	337.02	6.96	-40.14
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008285921	0	41	-1.0	-50.53	346.48	6.76	-43.77
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008285923	0	40	-1.0	-48.71	357.79	6.72	-41.99
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300008285924	0	39	-1.0	-49.35	360.08	5.69	-43.66
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300008285925	0	38	-1.0	-49.12	337.69	6.89	-42.23
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008285927	0	32	-1.0	-43.08	320.40	5.65	-37.43
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C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008285929	0	43	-1.0	-49.03	369.07	6.19	-42.84
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008285930	0	41	-1.0	-60.08	348.57	2.65	-57.43
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008285931	0	35	-1.0	-49.86	324.84	5.95	-43.91
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C=CCN(CCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300008285933	0	42	-1.0	-50.10	332.10	6.95	-43.15
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300008285934	0	44	-1.0	-49.92	367.18	7.01	-42.91
C=CCN(CCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300008285935	0	45	-1.0	-50.11	344.85	7.49	-42.62
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008285946	0	34	-1.0	-60.53	307.81	7.20	-53.33
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OCC	REAL300008285947	0	39	-1.0	-49.67	353.89	6.89	-42.78
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300008285950	0	41	-1.0	-48.04	331.96	7.52	-40.52
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008285952	0	35	-1.0	-50.57	326.41	6.45	-44.12
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300008285955	0	37	-1.0	-47.39	330.15	5.93	-41.46
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300008285959	0	43	-1.0	-52.28	382.17	3.48	-48.80
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300008285961	0	36	-1.0	-47.15	338.19	5.42	-41.73
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300008285973	0	40	-1.0	-53.40	341.52	4.69	-48.71
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008285977	0	37	-1.0	-49.05	323.26	5.29	-43.76
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(OCC)=C1	REAL300008285979	0	46	-1.0	-50.66	390.72	6.51	-44.15
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008285980	0	37	-1.0	-53.45	341.60	0.40	-53.05
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C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300008285982	0	40	-1.0	-52.52	341.05	7.12	-45.40
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300008285983	0	40	-1.0	-53.74	345.18	7.24	-46.50
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300008285984	0	38	-1.0	-57.09	336.92	6.50	-50.59
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300008285985	0	36	-1.0	-48.71	328.79	5.90	-42.81
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008285986	0	37	-1.0	-59.61	341.52	0.39	-59.22
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C=CCN(CCC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300008285988	0	40	-1.0	-50.47	352.63	6.92	-43.55
C=CCN(CCC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008285989	0	41	-1.0	-48.56	341.89	6.60	-41.96
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300008285990	0	40	-1.0	-52.17	343.96	6.82	-45.35
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300008285991	0	40	-1.0	-56.84	349.57	8.35	-48.49
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300008285992	0	43	-1.0	-50.35	382.93	3.43	-46.92
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008285993	0	44	-1.0	-50.62	373.85	4.76	-45.86
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008285994	0	38	-1.0	-61.70	348.04	2.95	-58.75
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008285995	0	42	-1.0	-52.87	355.45	9.17	-43.70
C=CCN(CCC(=O)[O-])S(=O)(=O)N1CC(C)CC(C)C1	REAL300008285996	0	43	-1.0	-48.94	338.11	5.76	-43.18
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008285997	0	38	-1.0	-54.07	328.73	7.87	-46.20
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008285998	0	42	-1.0	-51.21	359.49	8.71	-42.50
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C	REAL300008285999	0	35	-1.0	-46.53	302.20	5.98	-40.55
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300008286000	0	46	-1.0	-51.83	382.35	7.72	-44.11
COC1=CC=C(F)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287704	0	36	-1.0	-57.53	305.70	5.15	-52.38
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287705	0	43	-1.0	-59.60	359.60	5.41	-54.19
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1C	REAL300008287706	0	43	-1.0	-57.88	368.56	2.04	-55.84
CC1=NC2=C(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)C=CC=C2C=C1	REAL300008287707	0	40	-1.0	-64.12	332.46	6.81	-57.31
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008287708	0	40	-1.0	-65.29	336.19	7.83	-57.46
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008287709	0	43	-1.0	-56.40	340.82	3.92	-52.48
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287710	0	46	-1.0	-59.93	393.11	6.39	-53.54
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287711	0	46	-1.0	-60.80	387.89	6.56	-54.24
CCCN1C=NC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287712	0	38	-1.0	-55.62	324.74	5.50	-50.12
COCCOCCOCCS(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287713	0	46	-1.0	-59.69	379.50	3.34	-56.35
CC(COC1CCCC1)CS(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287714	0	48	-1.0	-60.78	372.69	7.33	-53.45
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287715	0	39	-1.0	-52.76	344.34	5.51	-47.25
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008287716	0	40	-1.0	-54.21	334.81	2.91	-51.30
COC1=CC(Br)=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287717	0	36	-1.0	-58.66	322.49	6.01	-52.65
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008287718	0	36	-1.0	-54.42	315.49	5.41	-49.01
COC1=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300008287719	0	38	-1.0	-52.16	331.32	5.94	-46.22
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287720	0	38	-1.0	-54.09	315.44	7.19	-46.90
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287721	0	38	-1.0	-58.61	315.12	7.17	-51.44
CC1=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300008287722	0	38	-1.0	-51.11	331.19	6.65	-44.46
CC(C)C1=CC=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287723	0	41	-1.0	-58.92	314.87	7.61	-51.31
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCCN1CCOCC1	REAL300008287724	0	44	-1.0	-60.44	344.56	2.98	-57.46
CCOC1=CC=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287725	0	39	-1.0	-56.88	327.14	5.42	-51.46
COCCN1C=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=N1	REAL300008287726	0	39	-1.0	-54.77	335.95	2.85	-51.92
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008287727	0	39	-1.0	-60.62	333.81	6.36	-54.26
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1C	REAL300008287728	0	59	-1.0	-54.31	456.20	9.62	-44.69
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008287729	0	40	-1.0	-60.52	344.35	8.18	-52.34
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008287730	0	37	-1.0	-56.28	317.57	5.84	-50.44
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008287731	0	35	-1.0	-60.24	315.93	7.36	-52.88
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC=C1Br	REAL300008287732	0	35	-1.0	-60.01	313.18	7.15	-52.86
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008287733	0	39	-1.0	-68.13	341.38	3.02	-65.11
CC1=CC(Br)=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287734	0	35	-1.0	-52.96	318.49	6.47	-46.49
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287735	0	35	-1.0	-59.82	292.60	6.82	-53.00
COCC1=CC=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287736	0	39	-1.0	-55.45	308.84	5.65	-49.80
COC1=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=CC=C1Br	REAL300008287737	0	36	-1.0	-52.25	325.71	5.17	-47.08
COC1=CC(OC)=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1Cl	REAL300008287738	0	40	-1.0	-65.07	341.09	5.58	-59.49
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008287739	0	35	-1.0	-53.57	321.36	3.82	-49.75
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008287740	0	35	-1.0	-55.40	315.27	4.09	-51.31
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300008287741	0	43	-1.0	-46.13	347.77	6.40	-39.73
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008287742	0	35	-1.0	-57.65	311.69	4.33	-53.32
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287743	0	43	-1.0	-71.17	350.52	4.70	-66.47
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287744	0	44	-1.0	-51.40	373.91	4.32	-47.08
CSC1=CC=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287745	0	36	-1.0	-61.39	298.66	6.82	-54.57
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300008287746	0	40	-1.0	-57.04	353.94	1.92	-55.12
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287747	0	46	-1.0	-48.86	389.39	2.89	-45.97
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287748	0	43	-1.0	-83.42	356.69	5.89	-77.53
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1F	REAL300008287749	0	43	-1.0	-55.94	375.41	2.81	-53.13
CCC1=CC=C(CS(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287750	0	41	-1.0	-60.28	337.53	8.18	-52.10
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CS1	REAL300008287751	0	35	-1.0	-56.89	310.63	5.74	-51.15
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008287752	0	47	-1.0	-55.71	389.55	5.64	-50.07
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008287753	0	44	-1.0	-68.80	361.76	5.68	-63.12
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287754	0	41	-1.0	-61.23	357.96	3.62	-57.61
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287755	0	42	-1.0	-65.09	359.98	2.59	-62.50
CC1=CC=C(CS(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1C	REAL300008287756	0	41	-1.0	-61.09	333.04	7.94	-53.15
CCOC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1Br	REAL300008287757	0	39	-1.0	-54.24	347.56	6.09	-48.15
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300008287758	0	46	-1.0	-56.35	383.95	8.26	-48.09
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008287759	0	36	-1.0	-54.22	325.77	5.86	-48.36
COC1=CC=C(Br)C(CS(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287760	0	39	-1.0	-61.02	342.68	6.45	-54.57
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300008287761	0	46	-1.0	-56.78	385.11	7.74	-49.04
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287762	0	39	-1.0	-65.03	335.01	6.87	-58.16
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)=CC=C21	REAL300008287763	0	44	-1.0	-61.14	362.41	7.63	-53.51
CCS(=O)(=O)NCCS(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287764	0	39	-1.0	-63.75	334.88	0.78	-62.97
CC1=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300008287765	0	38	-1.0	-52.39	331.76	6.30	-46.09
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008287766	0	35	-1.0	-55.61	327.66	7.74	-47.87
CC1=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C2=CC(Cl)=CC=C2S1	REAL300008287767	0	38	-1.0	-56.99	334.55	8.21	-48.78
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300008287768	0	35	-1.0	-60.94	317.17	7.65	-53.29
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008287769	0	38	-1.0	-61.75	326.83	8.27	-53.48
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008287770	0	38	-1.0	-46.39	331.24	6.88	-39.51
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008287771	0	43	-1.0	-59.77	352.03	7.36	-52.41
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008287772	0	46	-1.0	-57.36	386.21	8.63	-48.73
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300008287773	0	45	-1.0	-61.81	375.99	7.35	-54.46
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008287774	0	43	-1.0	-63.63	370.88	3.07	-60.56
CC1=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C2=CC=CC(C)=C2S1	REAL300008287775	0	41	-1.0	-54.44	340.15	7.94	-46.50
CC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1N(C)C	REAL300008287776	0	43	-1.0	-54.74	350.41	5.85	-48.89
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300008287777	0	38	-1.0	-58.87	333.82	7.89	-50.98
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=C2OCCCN2N=C1	REAL300008287778	0	37	-1.0	-61.83	309.05	2.80	-59.03
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCOCC1CCCC1	REAL300008287779	0	45	-1.0	-55.05	359.89	5.62	-49.43
COC1=CC(C)=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1Cl	REAL300008287780	0	39	-1.0	-58.66	321.87	6.00	-52.66
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300008287781	0	41	-1.0	-71.44	359.60	3.38	-68.06
CSC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1Cl	REAL300008287782	0	36	-1.0	-54.08	331.01	6.67	-47.41
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287783	0	44	-1.0	-43.21	337.04	5.28	-37.93
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008287784	0	40	-1.0	-52.14	347.93	3.70	-48.44
CCC1=NOC2=NC=C(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)C=C12	REAL300008287785	0	39	-1.0	-51.88	337.99	2.86	-49.02
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008287786	0	43	-1.0	-51.73	373.33	4.97	-46.76
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300008287787	0	37	-1.0	-58.78	316.04	5.22	-53.56
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008287788	0	38	-1.0	-44.84	337.54	8.02	-36.82
CCC1=CC(CC)=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C(CC)=C1	REAL300008287789	0	50	-1.0	-53.52	357.57	10.03	-43.49
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN2CCCCC2=N1	REAL300008287790	0	39	-1.0	-60.69	321.97	5.26	-55.43
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008287791	0	38	-1.0	-56.36	340.29	4.17	-52.19
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008287792	0	41	-1.0	-68.09	337.69	9.53	-58.56
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C(C)=C1F	REAL300008287793	0	39	-1.0	-60.37	320.76	5.96	-54.41
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1(C)CCCCC1	REAL300008287794	0	44	-1.0	-60.19	323.17	7.45	-52.74
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008287795	0	41	-1.0	-57.84	331.37	6.54	-51.30
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008287797	0	40	-1.0	-46.32	339.78	6.42	-39.90
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287798	0	39	-1.0	-43.25	342.15	5.37	-37.88
CC1=CC=C(CS(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C(F)=C1	REAL300008287799	0	38	-1.0	-61.22	321.36	7.44	-53.78
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008287801	0	32	-1.0	-49.08	296.51	5.67	-43.41
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008287802	0	45	-1.0	-60.46	359.62	9.31	-51.15
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300008287803	0	43	-1.0	-62.94	352.75	6.75	-56.19
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008287804	0	41	-1.0	-76.32	333.18	3.14	-73.18
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008287805	0	35	-1.0	-55.12	308.23	6.28	-48.84
CC1=C(CCS(=O)(=O)N(C)C2(CC(=O)[O-])CC2)SC=N1	REAL300008287806	0	37	-1.0	-58.23	320.10	5.25	-52.98
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC12CCC(CC1)C2	REAL300008287807	0	42	-1.0	-61.04	319.57	7.39	-53.65
COC1=CC=C2C=C(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)CCC2=C1	REAL300008287808	0	44	-1.0	-57.93	354.58	7.59	-50.34
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC12CCC(CC1)CC2	REAL300008287809	0	45	-1.0	-50.18	329.85	6.95	-43.23
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300008287810	0	43	-1.0	-68.17	344.28	3.14	-65.03
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1CCCCC1(F)F	REAL300008287811	0	41	-1.0	-55.66	327.01	6.43	-49.23
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008287812	0	39	-1.0	-59.61	323.54	7.57	-52.04
CCC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008287813	0	40	-1.0	-55.49	335.21	7.04	-48.45
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008287814	0	32	-1.0	-43.07	286.98	5.62	-37.45
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)C=C1	REAL300008287815	0	32	-1.0	-43.03	291.54	5.72	-37.31
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008287816	0	34	-1.0	-43.67	298.47	5.77	-37.90
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008287817	0	38	-1.0	-46.80	316.29	7.42	-39.38
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008287818	0	34	-1.0	-56.81	304.02	5.87	-50.94
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287819	0	37	-1.0	-55.83	313.22	7.41	-48.42
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008287820	0	34	-1.0	-78.34	290.50	7.21	-71.13
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287821	0	39	-1.0	-56.92	342.51	6.62	-50.30
CCOC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287822	0	39	-1.0	-44.63	321.59	5.32	-39.31
CC1=CC(C)=C(C)C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1C	REAL300008287823	0	44	-1.0	-53.16	333.38	7.73	-45.43
CC1=CC(C)=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C(C)=C1	REAL300008287824	0	41	-1.0	-55.91	314.09	7.31	-48.60
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287825	0	47	-1.0	-59.33	352.59	8.49	-50.84
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008287826	0	35	-1.0	-54.62	314.52	6.20	-48.42
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008287827	0	35	-1.0	-58.12	280.52	7.06	-51.06
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008287828	0	32	-1.0	-54.10	292.53	5.72	-48.38
CC(=O)C1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287829	0	37	-1.0	-45.21	310.72	5.49	-39.72
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008287830	0	38	-1.0	-58.06	331.30	5.94	-52.12
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300008287831	0	44	-1.0	-45.01	346.45	7.42	-37.59
CC(C)C1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287832	0	41	-1.0	-45.00	330.47	7.03	-37.97
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287833	0	43	-1.0	-49.40	366.58	3.06	-46.34
CCCC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287834	0	41	-1.0	-44.98	334.64	7.32	-37.66
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1Br	REAL300008287835	0	36	-1.0	-54.60	325.71	5.17	-49.43
CC1=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=CC=C1Br	REAL300008287836	0	35	-1.0	-52.18	315.29	6.38	-45.80
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)C=C2)=C1	REAL300008287837	0	46	-1.0	-45.38	381.47	8.71	-36.67
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008287838	0	36	-1.0	-43.75	316.23	4.89	-38.86
CC1=C(C)C(C)=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C(C)=C1C	REAL300008287839	0	47	-1.0	-57.98	335.17	8.57	-49.41
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008287840	0	41	-1.0	-55.10	338.60	5.14	-49.96
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287841	0	48	-1.0	-58.78	375.48	7.39	-51.39
CC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008287842	0	37	-1.0	-56.54	319.33	6.50	-50.04
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287843	0	36	-1.0	-56.93	320.59	5.70	-51.23
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287844	0	50	-1.0	-52.26	371.55	8.73	-43.53
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008287845	0	35	-1.0	-43.02	308.98	6.10	-36.92
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008287846	0	42	-1.0	-56.50	339.20	7.99	-48.51
COC1=CC=C(OC)C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287847	0	40	-1.0	-60.02	328.80	4.38	-55.64
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1OC	REAL300008287848	0	40	-1.0	-55.78	334.52	4.40	-51.38
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008287849	0	39	-1.0	-54.96	322.29	7.06	-47.90
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008287850	0	40	-1.0	-55.01	330.19	7.63	-47.38
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008287851	0	37	-1.0	-54.98	311.72	5.05	-49.93
CC(C)CCC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287852	0	47	-1.0	-44.86	373.70	8.61	-36.25
CCOC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1OCC	REAL300008287853	0	46	-1.0	-55.36	378.22	6.24	-49.12
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300008287854	0	37	-1.0	-50.46	324.43	0.06	-50.40
CC1=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300008287855	0	40	-1.0	-55.56	339.55	7.02	-48.54
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1C	REAL300008287856	0	40	-1.0	-59.96	322.21	7.48	-52.48
CC1=CC2=CC=CC(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)=C2N=C1	REAL300008287857	0	40	-1.0	-63.11	332.27	6.85	-56.26
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300008287858	0	38	-1.0	-74.52	319.89	6.52	-68.00
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287859	0	36	-1.0	-54.73	316.03	5.59	-49.14
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300008287860	0	37	-1.0	-60.59	329.97	0.16	-60.43
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008287861	0	44	-1.0	-58.90	384.81	3.05	-55.85
CC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C2=CC=CN=C12	REAL300008287862	0	40	-1.0	-58.02	322.15	6.68	-51.34
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1C	REAL300008287863	0	40	-1.0	-76.21	325.46	8.55	-67.66
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287864	0	43	-1.0	-58.03	371.36	3.20	-54.83
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008287865	0	44	-1.0	-48.43	356.25	4.48	-43.95
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300008287866	0	38	-1.0	-61.97	336.49	2.72	-59.25
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008287867	0	42	-1.0	-66.89	343.42	10.32	-56.57
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008287868	0	38	-1.0	-60.80	309.99	7.76	-53.04
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008287869	0	42	-1.0	-58.05	343.72	9.24	-48.81
CC1=CC=C(F)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287870	0	35	-1.0	-56.06	290.89	6.65	-49.41
CN(C)C1=CC=CC2=C(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)C=CC=C12	REAL300008287871	0	46	-1.0	-54.90	364.29	7.11	-47.79
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008287872	0	33	-1.0	-59.91	296.08	3.72	-56.19
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287873	0	36	-1.0	-57.08	316.03	5.60	-51.48
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287874	0	47	-1.0	-45.10	360.68	7.89	-37.21
CC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1Cl	REAL300008287875	0	35	-1.0	-53.57	312.23	6.26	-47.31
CC(C)OC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287876	0	42	-1.0	-45.63	339.54	5.99	-39.64
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008287877	0	35	-1.0	-60.27	311.37	7.25	-53.02
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=NON=C21	REAL300008287878	0	33	-1.0	-61.61	279.70	4.67	-56.94
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008287879	0	37	-1.0	-69.31	325.39	8.34	-60.97
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008287880	0	37	-1.0	-70.48	306.84	6.84	-63.64
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008287881	0	43	-1.0	-57.57	375.46	9.16	-48.41
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287882	0	38	-1.0	-52.80	327.51	5.74	-47.06
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1F	REAL300008287883	0	36	-1.0	-55.06	311.52	4.57	-50.49
CC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1F	REAL300008287884	0	35	-1.0	-53.85	303.49	5.85	-48.00
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008287885	0	43	-1.0	-44.34	376.80	8.54	-35.80
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)C=C2)C=C1	REAL300008287886	0	47	-1.0	-45.45	389.54	7.32	-38.13
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C(C(C)C)=C1	REAL300008287887	0	59	-1.0	-42.32	413.89	11.16	-31.16
CC(C)OC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300008287888	0	48	-1.0	-58.67	378.29	8.64	-50.03
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008287889	0	35	-1.0	-58.76	326.55	7.71	-51.05
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300008287890	0	42	-1.0	-59.24	338.31	7.10	-52.14
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287891	0	37	-1.0	-53.02	304.60	6.84	-46.18
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287892	0	37	-1.0	-52.31	307.39	6.22	-46.09
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287893	0	40	-1.0	-56.33	331.39	8.92	-47.41
CC(C)CC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287894	0	44	-1.0	-44.98	351.40	7.78	-37.20
COCCC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287895	0	42	-1.0	-45.52	346.81	5.61	-39.91
CC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287896	0	35	-1.0	-56.00	301.23	7.10	-48.90
COC1=C(C)C=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1C	REAL300008287897	0	42	-1.0	-56.46	345.43	6.56	-49.90
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287898	0	48	-1.0	-44.22	382.16	7.43	-36.79
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008287899	0	46	-1.0	-56.33	364.78	8.00	-48.33
CC(C)COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287900	0	45	-1.0	-44.41	363.19	6.82	-37.59
CCCOC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287901	0	42	-1.0	-56.27	342.30	6.84	-49.43
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1Cl	REAL300008287902	0	36	-1.0	-54.63	321.32	5.06	-49.57
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008287903	0	36	-1.0	-54.05	331.07	5.33	-48.72
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1C	REAL300008287904	0	39	-1.0	-55.04	325.36	5.24	-49.80
CC1=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=CC=C1OC(C)C	REAL300008287905	0	45	-1.0	-54.38	364.99	6.78	-47.60
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C(C)=C1	REAL300008287906	0	39	-1.0	-59.70	315.52	5.93	-53.77
COCCOC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287907	0	43	-1.0	-46.19	355.22	4.60	-41.59
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC=C1F	REAL300008287908	0	35	-1.0	-62.93	301.55	6.69	-56.24
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287909	0	35	-1.0	-56.01	305.79	7.19	-48.82
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1C	REAL300008287910	0	40	-1.0	-64.14	318.66	7.31	-56.83
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287911	0	41	-1.0	-65.33	345.45	4.27	-61.06
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008287912	0	44	-1.0	-58.48	378.44	3.67	-54.81
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287913	0	40	-1.0	-49.55	346.86	1.27	-48.28
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287914	0	40	-1.0	-67.09	331.24	4.11	-62.98
CC1=NC(C)=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)S1	REAL300008287915	0	34	-1.0	-53.71	292.00	3.81	-49.90
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008287916	0	35	-1.0	-61.72	300.34	7.13	-54.59
COC1=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=CC=C1F	REAL300008287917	0	36	-1.0	-52.62	311.51	4.57	-48.05
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008287918	0	42	-1.0	-57.34	349.99	8.61	-48.73
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008287919	0	35	-1.0	-57.82	332.37	6.88	-50.94
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)S2)=CS1	REAL300008287920	0	38	-1.0	-53.15	343.37	6.03	-47.12
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008287921	0	52	-1.0	-44.19	404.82	8.72	-35.47
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287922	0	40	-1.0	-66.47	329.24	7.58	-58.89
CNC(=O)C1=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=CN1C	REAL300008287923	0	40	-1.0	-47.73	334.71	2.78	-44.95
COC1=CC(C)=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C(C)=C1	REAL300008287924	0	42	-1.0	-55.19	322.14	5.93	-49.26
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008287925	0	43	-1.0	-58.99	356.32	9.91	-49.08
COC1=CC(C)=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1C	REAL300008287926	0	42	-1.0	-62.90	323.81	6.33	-56.57
CC1=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300008287927	0	40	-1.0	-54.13	320.04	6.25	-47.88
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008287928	0	37	-1.0	-65.54	298.97	6.02	-59.52
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300008287929	0	45	-1.0	-48.04	370.14	8.97	-39.07
CCN1C=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300008287930	0	37	-1.0	-59.08	314.00	6.42	-52.66
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008287931	0	39	-1.0	-45.09	341.17	5.79	-39.30
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008287932	0	46	-1.0	-45.68	381.50	8.38	-37.30
CCC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287933	0	40	-1.0	-63.87	338.87	6.47	-57.40
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008287934	0	42	-1.0	-51.73	363.43	6.32	-45.41
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008287935	0	35	-1.0	-70.07	296.03	4.26	-65.81
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300008287936	0	40	-1.0	-63.10	342.88	2.37	-60.73
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(F)=C1	REAL300008287937	0	35	-1.0	-60.88	301.05	6.81	-54.07
CCOC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300008287938	0	45	-1.0	-55.64	361.05	7.54	-48.10
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287939	0	42	-1.0	-58.86	342.58	6.66	-52.20
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008287940	0	37	-1.0	-68.79	320.39	5.97	-62.82
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008287941	0	39	-1.0	-57.56	332.76	6.90	-50.66
CCOCCOC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287942	0	46	-1.0	-46.18	377.07	5.56	-40.62
CCCCCOC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287943	0	48	-1.0	-44.20	386.09	7.69	-36.51
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008287944	0	42	-1.0	-58.14	318.63	8.10	-50.04
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008287945	0	38	-1.0	-59.72	319.48	7.81	-51.91
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008287946	0	36	-1.0	-44.58	326.63	6.56	-38.02
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2COCC2=C1	REAL300008287947	0	37	-1.0	-60.70	307.67	5.39	-55.31
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008287948	0	40	-1.0	-66.47	336.12	7.20	-59.27
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008287949	0	38	-1.0	-66.93	311.17	2.37	-64.56
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008287950	0	37	-1.0	-60.20	317.79	6.01	-54.19
CCOC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C(C)=C1	REAL300008287951	0	42	-1.0	-56.97	327.70	6.39	-50.58
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287952	0	40	-1.0	-59.22	352.41	1.37	-57.85
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008287953	0	36	-1.0	-56.77	309.06	5.34	-51.43
CSC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287954	0	36	-1.0	-44.34	310.44	6.12	-38.22
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008287955	0	38	-1.0	-61.11	333.69	7.76	-53.35
CCN1C=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)N=C1C	REAL300008287956	0	38	-1.0	-59.87	322.38	4.95	-54.92
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008287957	0	38	-1.0	-60.99	311.01	5.54	-55.45
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300008287958	0	37	-1.0	-54.87	305.95	5.38	-49.49
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008287959	0	44	-1.0	-59.41	364.36	7.88	-51.53
CC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1C(F)(F)F	REAL300008287960	0	38	-1.0	-53.81	331.19	6.66	-47.15
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008287961	0	38	-1.0	-55.80	349.31	5.90	-49.90
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008287962	0	41	-1.0	-49.58	335.18	6.74	-42.84
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)C=C12	REAL300008287963	0	40	-1.0	-53.45	343.08	4.88	-48.57
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287964	0	39	-1.0	-61.27	341.13	6.53	-54.74
COCC1=CC=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287965	0	39	-1.0	-57.22	330.86	4.92	-52.30
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300008287966	0	43	-1.0	-65.72	343.80	7.17	-58.55
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300008287967	0	35	-1.0	-60.48	309.67	7.05	-53.43
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300008287968	0	44	-1.0	-68.94	366.05	4.32	-64.62
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008287969	0	39	-1.0	-59.28	340.63	6.54	-52.74
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008287970	0	40	-1.0	-70.86	334.94	6.38	-64.48
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008287971	0	35	-1.0	-59.07	321.25	7.52	-51.55
CC1CC2=CC(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)=CC=C2O1	REAL300008287972	0	40	-1.0	-60.34	328.64	6.70	-53.64
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008287973	0	44	-1.0	-52.75	313.40	8.23	-44.52
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287974	0	44	-1.0	-56.27	355.36	3.61	-52.66
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008287975	0	43	-1.0	-46.58	376.78	8.55	-38.03
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008287976	0	38	-1.0	-60.00	338.24	6.53	-53.47
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008287977	0	38	-1.0	-55.45	359.62	6.35	-49.10
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)C=C2)=CO1	REAL300008287978	0	41	-1.0	-60.55	345.92	4.89	-55.66
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008287979	0	35	-1.0	-56.10	299.94	4.51	-51.59
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008287980	0	35	-1.0	-55.65	306.16	5.88	-49.77
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008287981	0	35	-1.0	-57.23	298.15	4.45	-52.78
COC1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=N1	REAL300008287982	0	35	-1.0	-56.96	298.87	2.77	-54.19
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008287983	0	40	-1.0	-56.17	330.19	6.12	-50.05
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300008287984	0	39	-1.0	-60.70	315.15	7.27	-53.43
CC1=CC=C(N2C=C(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)C=N2)C=C1	REAL300008287985	0	42	-1.0	-57.26	354.17	7.58	-49.68
CC1CC2=CC(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)=CC(Cl)=C2O1	REAL300008287986	0	40	-1.0	-56.63	345.88	6.91	-49.72
CC1=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300008287987	0	37	-1.0	-43.30	315.15	6.36	-36.94
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=N1	REAL300008287988	0	43	-1.0	-58.13	364.49	5.92	-52.21
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008287989	0	34	-1.0	-58.94	303.67	5.58	-53.36
CN(C)C1=CC=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)C=C1	REAL300008287990	0	40	-1.0	-46.85	321.74	5.50	-41.35
CC1=CC2=CC=C(S(=O)(=O)N(C)C3(CC(=O)[O-])CC3)C=C2C=C1	REAL300008287991	0	41	-1.0	-46.82	337.64	8.07	-38.75
COC1=C(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)SC=C1	REAL300008287992	0	33	-1.0	-63.62	292.03	4.77	-58.85
CN(C)C1=CC=CC(S(=O)(=O)N(C)C2(CC(=O)[O-])CC2)=C1	REAL300008287993	0	40	-1.0	-56.41	328.31	5.61	-50.80
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008287994	0	37	-1.0	-60.58	307.77	5.19	-55.39
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008287995	0	37	-1.0	-64.33	319.39	5.98	-58.35
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008287996	0	37	-1.0	-59.73	307.90	5.62	-54.11
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008287997	0	38	-1.0	-57.20	337.13	7.17	-50.03
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300008287998	0	44	-1.0	-56.95	350.36	5.76	-51.19
CN(C1(CC(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008287999	0	34	-1.0	-54.81	307.19	5.40	-49.41
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)C1(CC(=O)[O-])CC1	REAL300008288000	0	40	-1.0	-62.81	327.79	5.64	-57.17
COC1=CC=C(F)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294189	0	36	-1.0	-48.42	308.27	4.78	-43.64
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294190	0	43	-1.0	-50.69	359.11	5.09	-45.60
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C	REAL300008294191	0	43	-1.0	-50.04	369.38	1.89	-48.15
O=C([O-])C[C@H]1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300008294192	0	50	-1.0	-44.94	365.56	6.47	-38.47
CC1=NC2=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=CC=C2C=C1	REAL300008294193	0	40	-1.0	-54.38	334.44	6.38	-48.00
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300008294194	0	40	-1.0	-53.98	343.01	6.71	-47.27
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300008294195	0	43	-1.0	-48.75	356.03	3.39	-45.36
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294196	0	46	-1.0	-50.77	395.17	6.00	-44.77
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294197	0	46	-1.0	-48.85	387.70	5.98	-42.87
CCCN1C=NC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294198	0	38	-1.0	-51.26	325.55	5.57	-45.69
COCCOCCOCCS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294199	0	46	-1.0	-50.92	386.59	2.12	-48.80
CC(COC1CCCC1)CS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294200	0	48	-1.0	-48.87	378.04	6.21	-42.66
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294201	0	39	-1.0	-46.44	346.02	5.13	-41.31
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300008294202	0	40	-1.0	-48.55	336.83	2.58	-45.97
COC1=CC(Br)=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294203	0	36	-1.0	-46.40	328.84	4.76	-41.64
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300008294204	0	36	-1.0	-47.25	318.02	5.04	-42.21
COC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300008294205	0	38	-1.0	-48.42	333.57	5.55	-42.87
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294206	0	38	-1.0	-44.42	324.72	6.33	-38.09
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294207	0	38	-1.0	-45.56	324.56	6.30	-39.26
CC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300008294208	0	38	-1.0	-45.02	332.49	6.30	-38.72
CC(C)C1=CC=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294209	0	41	-1.0	-46.29	323.99	6.44	-39.85
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300008294210	0	44	-1.0	-49.91	351.39	1.81	-48.10
CCOC1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294211	0	39	-1.0	-48.05	329.42	5.03	-43.02
COCCN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=N1	REAL300008294212	0	39	-1.0	-48.67	338.62	2.46	-46.21
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300008294213	0	39	-1.0	-51.11	342.42	5.34	-45.77
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1C	REAL300008294214	0	59	-1.0	-48.29	465.25	9.37	-38.92
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300008294215	0	40	-1.0	-53.13	351.18	7.01	-46.12
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300008294216	0	37	-1.0	-49.57	319.25	5.17	-44.40
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300008294217	0	35	-1.0	-48.70	323.15	6.15	-42.55
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300008294218	0	35	-1.0	-47.99	319.44	6.12	-41.87
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300008294219	0	39	-1.0	-61.31	342.40	2.71	-58.60
CC1=CC(Br)=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294220	0	35	-1.0	-45.93	320.51	6.10	-39.83
CC1=C(Br)C=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294221	0	35	-1.0	-45.65	303.81	5.83	-39.82
COCC1=CC=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294222	0	39	-1.0	-46.21	326.81	5.05	-41.16
COC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1Br	REAL300008294223	0	36	-1.0	-45.85	327.96	4.77	-41.08
COC1=CC(OC)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Cl	REAL300008294224	0	40	-1.0	-48.89	347.13	4.59	-44.30
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300008294225	0	35	-1.0	-52.16	321.76	3.91	-48.25
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300008294226	0	35	-1.0	-50.93	316.79	3.74	-47.19
CC1(C)CC2=CC(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=CC=C2O1	REAL300008294227	0	43	-1.0	-47.59	355.20	6.07	-41.52
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300008294228	0	35	-1.0	-49.85	315.06	3.90	-45.95
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294229	0	43	-1.0	-51.22	360.43	3.81	-47.41
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294230	0	44	-1.0	-53.30	381.73	4.02	-49.28
CSC1=CC=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294231	0	36	-1.0	-48.76	307.17	5.52	-43.24
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1F	REAL300008294232	0	40	-1.0	-51.63	357.00	1.58	-50.05
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294233	0	46	-1.0	-51.09	397.21	2.59	-48.50
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294234	0	43	-1.0	-59.69	364.62	4.89	-54.80
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1F	REAL300008294235	0	43	-1.0	-50.76	378.46	2.47	-48.29
CCC1=CC=C(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294236	0	41	-1.0	-47.79	345.55	7.00	-40.79
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300008294237	0	35	-1.0	-48.34	313.46	5.43	-42.91
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300008294238	0	47	-1.0	-49.88	391.80	5.24	-44.64
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300008294239	0	44	-1.0	-51.40	371.80	4.60	-46.80
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294240	0	41	-1.0	-54.31	360.22	3.21	-51.10
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294241	0	42	-1.0	-56.98	362.61	2.24	-54.74
CC1=CC=C(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C	REAL300008294242	0	41	-1.0	-48.90	340.27	6.74	-42.16
CCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Br	REAL300008294243	0	39	-1.0	-46.69	349.81	5.70	-40.99
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300008294244	0	46	-1.0	-49.02	386.24	7.89	-41.13
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300008294245	0	36	-1.0	-47.03	328.35	5.49	-41.54
COC1=CC=C(Br)C(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294246	0	39	-1.0	-49.98	347.43	5.41	-44.57
CC1(C)CN(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)CCO1	REAL300008294247	0	41	-1.0	-45.20	322.29	2.91	-42.29
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=C2S1	REAL300008294248	0	46	-1.0	-47.56	391.07	6.74	-40.82
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294249	0	39	-1.0	-48.18	341.35	5.88	-42.30
CC(C)N1N=CC2=CC(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=CC=C21	REAL300008294250	0	44	-1.0	-49.25	368.51	6.38	-42.87
CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294251	0	39	-1.0	-55.65	341.96	-0.45	-56.10
CC1=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300008294252	0	38	-1.0	-47.75	331.56	6.13	-41.62
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300008294253	0	35	-1.0	-45.69	333.70	6.76	-38.93
CC1=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300008294254	0	38	-1.0	-47.31	344.34	7.71	-39.60
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300008294255	0	35	-1.0	-47.83	325.19	6.48	-41.35
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300008294256	0	38	-1.0	-50.76	330.42	7.35	-43.41
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300008294257	0	38	-1.0	-47.64	339.05	6.58	-41.06
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300008294258	0	43	-1.0	-50.11	359.26	6.14	-43.97
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300008294259	0	46	-1.0	-48.11	387.63	8.23	-39.88
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294260	0	45	-1.0	-54.32	384.93	6.38	-47.94
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300008294261	0	43	-1.0	-54.50	378.10	1.87	-52.63
CC1=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300008294262	0	41	-1.0	-47.62	346.36	7.70	-39.92
CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1N(C)C	REAL300008294263	0	43	-1.0	-46.16	352.67	5.45	-40.71
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300008294264	0	38	-1.0	-48.95	340.18	6.82	-42.13
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300008294265	0	37	-1.0	-50.28	313.31	1.77	-48.51
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300008294266	0	45	-1.0	-46.89	362.85	5.28	-41.61
COC1=CC(C)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Cl	REAL300008294267	0	39	-1.0	-46.44	331.03	5.17	-41.27
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294268	0	41	-1.0	-58.69	362.54	3.04	-55.65
CSC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Cl	REAL300008294269	0	36	-1.0	-46.65	333.26	6.28	-40.37
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294270	0	44	-1.0	-48.45	353.68	5.41	-43.04
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300008294271	0	40	-1.0	-50.38	350.03	3.39	-46.99
CCC1=NOC2=NC=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=C12	REAL300008294272	0	39	-1.0	-50.25	340.10	2.54	-47.71
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300008294273	0	43	-1.0	-50.22	375.39	4.65	-45.57
CN1N=CC2=CC(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=CN=C21	REAL300008294274	0	37	-1.0	-50.14	322.17	3.97	-46.17
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300008294275	0	38	-1.0	-46.52	346.07	7.73	-38.79
CCC1=CC(CC)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(CC)=C1	REAL300008294276	0	50	-1.0	-45.28	379.24	9.04	-36.24
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300008294277	0	39	-1.0	-53.57	323.55	4.88	-48.69
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300008294278	0	38	-1.0	-47.32	346.42	2.92	-44.40
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300008294279	0	41	-1.0	-54.31	344.12	8.62	-45.69
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C)=C1F	REAL300008294280	0	39	-1.0	-47.55	320.03	4.64	-42.91
CC1(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)CCCCC1	REAL300008294281	0	44	-1.0	-45.76	328.73	6.35	-39.41
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300008294282	0	41	-1.0	-47.41	339.42	6.21	-41.20
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300008294284	0	40	-1.0	-48.32	347.50	6.09	-42.23
COCC1=CC(Cl)=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294285	0	39	-1.0	-46.27	349.88	5.03	-41.24
CC1=CC=C(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(F)=C1	REAL300008294286	0	38	-1.0	-49.43	329.39	6.26	-43.17
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300008294288	0	32	-1.0	-44.54	310.62	5.01	-39.53
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300008294289	0	45	-1.0	-49.12	366.85	8.11	-41.01
CC(C)(C)C1=CC(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=NO1	REAL300008294290	0	43	-1.0	-49.89	360.78	5.56	-44.33
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300008294291	0	41	-1.0	-58.05	340.25	2.01	-56.04
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300008294292	0	35	-1.0	-46.98	314.23	5.28	-41.70
CC1=C(CCS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)SC=N1	REAL300008294293	0	37	-1.0	-48.48	328.11	4.06	-44.42
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300008294294	0	42	-1.0	-46.99	326.54	6.22	-40.77
COC1=CC=C2C=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)CCC2=C1	REAL300008294295	0	44	-1.0	-48.13	361.90	6.53	-41.60
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300008294296	0	45	-1.0	-46.02	336.32	6.86	-39.16
CC(C)(CCS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1)S(C)(=O)=O	REAL300008294297	0	43	-1.0	-57.85	350.95	1.95	-55.90
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300008294298	0	41	-1.0	-48.84	331.08	6.02	-42.82
O=C([O-])C[C@H]1CCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300008294299	0	39	-1.0	-47.55	328.79	6.94	-40.61
CCC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008294300	0	40	-1.0	-49.88	340.45	6.64	-43.24
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300008294301	0	32	-1.0	-45.01	294.79	5.32	-39.69
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CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294306	0	37	-1.0	-47.79	313.63	5.97	-41.82
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CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294308	0	39	-1.0	-47.84	344.56	6.22	-41.62
CCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294309	0	39	-1.0	-46.70	329.41	5.02	-41.68
CC1=CC(C)=C(C)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1C	REAL300008294310	0	44	-1.0	-46.35	335.72	7.31	-39.04
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CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294312	0	47	-1.0	-46.85	364.10	7.60	-39.25
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300008294313	0	35	-1.0	-46.74	316.80	5.80	-40.94
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300008294314	0	35	-1.0	-51.61	305.64	6.31	-45.30
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300008294315	0	32	-1.0	-46.44	294.78	5.34	-41.10
CC(=O)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294316	0	37	-1.0	-49.95	320.82	5.29	-44.66
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008294317	0	38	-1.0	-52.06	333.56	5.55	-46.51
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294318	0	44	-1.0	-46.00	354.28	7.12	-38.88
CC(C)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294319	0	41	-1.0	-47.71	338.63	6.77	-40.94
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294320	0	43	-1.0	-51.05	373.63	2.80	-48.25
CCCC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294321	0	41	-1.0	-46.04	342.46	7.02	-39.02
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Br	REAL300008294322	0	36	-1.0	-47.09	327.96	4.77	-42.32
CC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1Br	REAL300008294323	0	35	-1.0	-45.00	317.55	5.99	-39.01
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=C2)=C1	REAL300008294324	0	46	-1.0	-48.44	388.50	8.37	-40.07
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300008294325	0	36	-1.0	-44.99	324.05	4.59	-40.40
CC1=C(C)C(C)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C)=C1C	REAL300008294326	0	47	-1.0	-47.66	351.04	7.81	-39.85
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300008294327	0	41	-1.0	-49.57	341.69	4.77	-44.80
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294328	0	48	-1.0	-48.32	377.71	7.00	-41.32
CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008294329	0	37	-1.0	-49.86	322.27	5.99	-43.87
COC1=CC=C(Br)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294330	0	36	-1.0	-47.96	323.17	5.32	-42.64
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294331	0	50	-1.0	-45.52	377.56	8.53	-36.99
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COC1=CC=C(OC)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294334	0	40	-1.0	-50.52	331.34	4.01	-46.51
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1OC	REAL300008294335	0	40	-1.0	-48.64	336.78	4.01	-44.63
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300008294336	0	39	-1.0	-47.11	324.39	6.73	-40.38
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300008294337	0	40	-1.0	-46.77	332.56	7.20	-39.57
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300008294338	0	37	-1.0	-47.73	313.97	4.68	-43.05
CC(C)CCC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294339	0	47	-1.0	-45.93	381.52	8.31	-37.62
CCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1OCC	REAL300008294340	0	46	-1.0	-48.24	380.49	5.85	-42.39
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294341	0	37	-1.0	-52.43	332.25	-0.24	-52.67
CC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300008294342	0	40	-1.0	-49.30	341.69	6.61	-42.69
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1C	REAL300008294343	0	40	-1.0	-49.43	333.46	6.52	-42.91
CC1=CC2=CC=CC(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=C2N=C1	REAL300008294344	0	40	-1.0	-53.71	334.97	6.46	-47.25
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300008294345	0	38	-1.0	-52.18	328.12	5.97	-46.21
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294346	0	36	-1.0	-46.33	318.27	5.21	-41.12
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294347	0	37	-1.0	-53.33	332.24	-0.25	-53.58
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300008294348	0	44	-1.0	-53.02	387.04	2.64	-50.38
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294349	0	40	-1.0	-47.99	345.71	6.39	-41.60
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CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C2=CC=CN=C12	REAL300008294351	0	40	-1.0	-49.20	328.92	5.80	-43.40
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C	REAL300008294352	0	40	-1.0	-53.26	334.91	7.72	-45.54
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294353	0	43	-1.0	-52.17	373.66	2.79	-49.38
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CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294355	0	38	-1.0	-55.07	338.76	2.32	-52.75
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CC1CC(C)CN(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C1	REAL300008294357	0	43	-1.0	-44.81	338.65	5.20	-39.61
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300008294358	0	38	-1.0	-50.71	314.09	6.85	-43.86
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CC1=CC=C(F)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294360	0	35	-1.0	-45.68	292.05	5.38	-40.30
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=CC=C12	REAL300008294361	0	46	-1.0	-47.58	366.31	6.71	-40.87
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COC1=CC=C(Cl)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294363	0	36	-1.0	-48.03	318.60	5.22	-42.81
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294364	0	47	-1.0	-45.85	368.50	7.59	-38.26
CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Cl	REAL300008294365	0	35	-1.0	-46.16	313.52	5.92	-40.24
CC(C)OC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294366	0	42	-1.0	-46.51	347.32	5.65	-40.86
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300008294367	0	35	-1.0	-48.71	318.58	6.04	-42.67
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300008294368	0	33	-1.0	-51.68	291.94	3.63	-48.05
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O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300008294370	0	37	-1.0	-54.12	313.57	5.81	-48.31
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300008294371	0	43	-1.0	-46.26	383.74	8.22	-38.04
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294372	0	38	-1.0	-46.71	329.68	5.34	-41.37
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1F	REAL300008294373	0	36	-1.0	-47.81	313.76	4.18	-43.63
CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1F	REAL300008294374	0	35	-1.0	-46.69	304.77	5.51	-41.18
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COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=C2)C=C1	REAL300008294376	0	47	-1.0	-47.91	398.00	7.00	-40.91
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C(C)C)=C1	REAL300008294377	0	59	-1.0	-45.39	434.56	10.67	-34.72
CC(C)OC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C2=CC=CC=C12	REAL300008294378	0	48	-1.0	-49.76	382.15	7.75	-42.01
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COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C2=CC=CC=C12	REAL300008294380	0	42	-1.0	-50.30	342.40	6.21	-44.09
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294381	0	37	-1.0	-45.36	313.88	5.97	-39.39
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294382	0	37	-1.0	-49.60	311.38	5.83	-43.77
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294383	0	40	-1.0	-51.10	339.95	7.37	-43.73
CC(C)CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294384	0	44	-1.0	-45.89	359.22	7.49	-38.40
COCCC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294385	0	42	-1.0	-46.84	354.64	5.31	-41.53
COCCN(CCOC)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294386	0	44	-1.0	-45.11	356.09	2.12	-42.99
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294387	0	35	-1.0	-45.23	302.39	5.83	-39.40
COC1=C(C)C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C	REAL300008294388	0	42	-1.0	-47.09	352.45	5.71	-41.38
CC(C)CCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294389	0	48	-1.0	-46.35	389.97	7.13	-39.22
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CC(C)COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294391	0	45	-1.0	-46.34	371.01	6.52	-39.82
CCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294392	0	42	-1.0	-46.37	350.91	5.82	-40.55
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Cl	REAL300008294393	0	36	-1.0	-47.06	323.57	4.66	-42.40
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COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C	REAL300008294395	0	39	-1.0	-47.01	327.63	4.84	-42.17
CC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1OC(C)C	REAL300008294396	0	45	-1.0	-46.50	367.39	6.39	-40.11
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C)=C1	REAL300008294397	0	39	-1.0	-46.51	315.12	4.62	-41.89
COCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294398	0	43	-1.0	-48.66	363.03	4.30	-44.36
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CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294405	0	40	-1.0	-51.33	339.27	3.02	-48.31
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COC1=CC(C)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C)=C1	REAL300008294415	0	42	-1.0	-46.44	332.83	5.64	-40.80
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CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294427	0	54	-1.0	-45.08	416.40	7.79	-37.29
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CCOC1=CC=C(C)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294431	0	42	-1.0	-49.35	344.69	6.26	-43.09
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CCOCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294434	0	46	-1.0	-48.66	384.89	5.26	-43.40
CCCCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294435	0	48	-1.0	-46.32	393.90	7.39	-38.93
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CCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C)=C1	REAL300008294443	0	42	-1.0	-46.27	336.87	5.53	-40.74
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294444	0	40	-1.0	-52.27	354.67	0.97	-51.30
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CSC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294446	0	36	-1.0	-46.63	318.26	5.82	-40.81
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CCN(CC1=CC=CC=C1)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294448	0	43	-1.0	-46.39	350.44	6.74	-39.65
CCN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)N=C1C	REAL300008294449	0	38	-1.0	-52.71	323.67	4.62	-48.09
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CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C(F)(F)F	REAL300008294453	0	38	-1.0	-46.67	332.49	6.31	-40.36
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300008294454	0	38	-1.0	-48.63	350.80	5.60	-43.03
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CC1=NN(C)C2=NC=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=C12	REAL300008294456	0	40	-1.0	-49.68	345.18	4.56	-45.12
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294457	0	39	-1.0	-49.00	347.56	5.43	-43.57
COCC1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294458	0	39	-1.0	-47.66	333.14	4.51	-43.15
CC1(C)CC2=CC=CC(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=C2O1	REAL300008294459	0	43	-1.0	-49.61	352.44	6.11	-43.50
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O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300008294464	0	35	-1.0	-50.29	328.82	6.46	-43.83
CC1CC2=CC(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=CC=C2O1	REAL300008294465	0	40	-1.0	-47.62	335.08	5.44	-42.18
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294466	0	44	-1.0	-46.96	330.97	7.60	-39.36
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294467	0	44	-1.0	-53.53	358.43	3.38	-50.15
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CC1=NC(C2=CC=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=C2)=CO1	REAL300008294471	0	41	-1.0	-51.28	354.49	3.85	-47.43
CN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300008294472	0	35	-1.0	-51.35	306.36	3.32	-48.03
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300008294473	0	35	-1.0	-49.05	307.81	5.21	-43.84
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300008294474	0	35	-1.0	-48.04	303.84	3.49	-44.55
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=N1	REAL300008294475	0	35	-1.0	-47.42	304.99	1.52	-45.90
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300008294476	0	40	-1.0	-48.39	331.57	5.46	-42.93
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300008294477	0	39	-1.0	-48.45	321.53	6.66	-41.79
CC1=CC=C(N2C=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=N2)C=C1	REAL300008294478	0	42	-1.0	-50.32	360.84	6.64	-43.68
CC1CC2=CC(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=CC(Cl)=C2O1	REAL300008294479	0	40	-1.0	-46.77	351.86	5.92	-40.85
CC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300008294480	0	37	-1.0	-46.33	322.27	5.99	-40.34
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=N1	REAL300008294481	0	43	-1.0	-53.25	366.61	5.60	-47.65
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300008294482	0	34	-1.0	-48.59	309.81	4.33	-44.26
CN(C)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294483	0	40	-1.0	-47.75	329.56	5.19	-42.56
CC1=CC2=CC=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=C2C=C1	REAL300008294484	0	41	-1.0	-48.02	346.18	7.78	-40.24
COC1=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)SC=C1	REAL300008294485	0	33	-1.0	-50.32	298.28	3.87	-46.45
CN(C)C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294486	0	40	-1.0	-48.09	329.54	5.23	-42.86
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300008294487	0	37	-1.0	-49.74	310.91	4.71	-45.03
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300008294488	0	37	-1.0	-52.78	326.01	4.89	-47.89
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300008294489	0	37	-1.0	-49.35	313.60	4.68	-44.67
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300008294490	0	38	-1.0	-48.88	339.69	6.86	-42.02
CN1CCCC2=CC=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=C21	REAL300008294491	0	44	-1.0	-47.35	352.64	5.37	-41.98
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300008294492	0	34	-1.0	-47.35	313.31	4.16	-43.19
COC1=CC=CC(OC)=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294493	0	40	-1.0	-51.84	332.08	5.30	-46.54
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294494	0	40	-1.0	-47.27	329.80	6.49	-40.78
CC1=CC=C(C)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300008294495	0	40	-1.0	-55.27	333.22	7.90	-47.37
CC1=CC(C)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008294496	0	40	-1.0	-49.32	334.76	6.61	-42.71
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COC1=CN=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294498	0	35	-1.0	-48.17	302.44	2.32	-45.85
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CC(C)OC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=N1	REAL300008294553	0	41	-1.0	-47.24	346.98	3.39	-43.85
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CCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C(C)C	REAL300008294555	0	48	-1.0	-46.50	388.01	7.05	-39.45
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1F	REAL300008294556	0	44	-1.0	-46.11	356.27	7.06	-39.05
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CN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300008294559	0	44	-1.0	-48.99	350.15	5.23	-43.76
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CCCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C(C)C	REAL300008294565	0	54	-1.0	-46.15	431.00	8.63	-37.52
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CCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1CC	REAL300008294568	0	48	-1.0	-46.17	392.60	7.32	-38.85
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COC1=NC=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294573	0	35	-1.0	-48.95	299.31	2.08	-46.87
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CC1(C)COC2=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=NN2C1	REAL300008294580	0	43	-1.0	-49.40	351.37	2.88	-46.52
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CCCCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C(C)C	REAL300008294583	0	57	-1.0	-46.13	452.50	9.41	-36.72
COC1=CC(C(C)C)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C	REAL300008294584	0	48	-1.0	-46.32	373.44	6.48	-39.84
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294585	0	42	-1.0	-48.19	348.05	6.31	-41.88
CCOCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C(C)C	REAL300008294586	0	55	-1.0	-48.29	443.49	7.27	-41.02
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CC(C)(C)C1=NC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)S1	REAL300008294588	0	40	-1.0	-46.03	346.73	4.47	-41.56
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COC1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1OC	REAL300008294597	0	40	-1.0	-49.65	332.70	4.66	-44.99
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=COC3=CC=CC=C32)C1	REAL300008294598	0	35	-1.0	-49.08	304.33	4.99	-44.09
CN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C2CCCC2)=N1	REAL300008294599	0	45	-1.0	-49.71	357.92	5.41	-44.30
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294600	0	44	-1.0	-49.07	357.42	5.43	-43.64
CCCCN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C)=N1	REAL300008294601	0	44	-1.0	-48.45	360.34	5.39	-43.06
CN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C2CC2)=N1	REAL300008294602	0	39	-1.0	-49.56	327.21	4.52	-45.04
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300008294603	0	36	-1.0	-48.41	317.30	4.38	-44.03
CN1N=NC2=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=CC=C21	REAL300008294604	0	37	-1.0	-57.06	319.58	3.32	-53.74
CC1=CC(C)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Br	REAL300008294605	0	38	-1.0	-47.08	327.29	6.48	-40.60
CC1(C)CCCN(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C1	REAL300008294606	0	43	-1.0	-45.21	332.55	5.18	-40.03
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300008294607	0	38	-1.0	-46.62	345.98	5.97	-40.65
CN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C2CCC2)=N1	REAL300008294608	0	42	-1.0	-48.64	341.31	4.92	-43.72
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294609	0	50	-1.0	-45.84	384.12	8.35	-37.49
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300008294610	0	38	-1.0	-46.23	349.26	6.68	-39.55
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300008294611	0	42	-1.0	-49.47	352.88	5.50	-43.97
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300008294612	0	36	-1.0	-47.13	315.07	5.99	-41.14
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300008294613	0	43	-1.0	-48.22	371.22	7.69	-40.53
COC1=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300008294614	0	41	-1.0	-58.25	343.39	6.04	-52.21
CCCC1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294615	0	41	-1.0	-46.24	342.45	7.00	-39.24
CN1N=C2CCCC2=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294616	0	39	-1.0	-47.69	323.04	4.32	-43.37
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294617	0	41	-1.0	-45.68	318.53	4.34	-41.34
CC(C)(C)N1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=N1	REAL300008294618	0	41	-1.0	-49.02	343.38	4.56	-44.46
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300008294619	0	39	-1.0	-47.62	318.34	3.60	-44.02
CC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300008294620	0	37	-1.0	-47.05	328.79	4.66	-42.39
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300008294621	0	35	-1.0	-44.72	323.27	5.90	-38.82
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294622	0	43	-1.0	-53.31	362.65	6.83	-46.48
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300008294623	0	43	-1.0	-46.69	346.22	7.80	-38.89
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300008294624	0	38	-1.0	-46.68	340.18	5.87	-40.81
O=C([O-])C[C@H]1CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300008294625	0	38	-1.0	-46.19	320.45	5.25	-40.94
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300008294626	0	39	-1.0	-53.42	330.55	3.19	-50.23
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294627	0	42	-1.0	-46.63	374.26	5.57	-41.06
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300008294628	0	32	-1.0	-48.70	300.72	5.09	-43.61
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300008294629	0	39	-1.0	-47.72	327.09	6.94	-40.78
COC1=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=CS1	REAL300008294630	0	33	-1.0	-47.34	296.93	3.32	-44.02
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300008294631	0	42	-1.0	-45.97	342.59	5.45	-40.52
CCC(C)N1N=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294632	0	41	-1.0	-45.98	339.19	4.67	-41.31
CN(C1CCCCCC1)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294633	0	46	-1.0	-45.68	346.99	5.79	-39.89
CN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300008294634	0	46	-1.0	-49.32	367.67	3.65	-45.67
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294635	0	38	-1.0	-47.45	331.29	6.33	-41.12
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300008294636	0	36	-1.0	-48.69	317.30	4.40	-44.29
O=C([O-])C[C@H]1CCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300008294637	0	47	-1.0	-47.13	374.81	7.47	-39.66
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)S1	REAL300008294638	0	33	-1.0	-47.46	301.87	3.30	-44.16
CC1=CC(C)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C2=NC=CC=C12	REAL300008294639	0	43	-1.0	-54.34	347.09	7.01	-47.33
O=C([O-])C[C@H]1CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300008294640	0	40	-1.0	-45.77	334.35	4.94	-40.83
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300008294641	0	35	-1.0	-48.57	311.54	3.55	-45.02
CCOCC1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294642	0	42	-1.0	-47.57	355.00	5.49	-42.08
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294643	0	42	-1.0	-47.45	357.69	6.04	-41.41
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300008294644	0	45	-1.0	-48.22	365.26	5.79	-42.43
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300008294645	0	43	-1.0	-47.42	366.76	7.63	-39.79
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300008294646	0	35	-1.0	-48.67	300.20	5.93	-42.74
CC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC(C)=C1Br	REAL300008294647	0	38	-1.0	-45.34	336.55	6.57	-38.77
CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C2=CC=CC=C12	REAL300008294648	0	41	-1.0	-50.79	331.84	7.39	-43.40
CN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300008294649	0	42	-1.0	-50.25	350.40	5.98	-44.27
O=C([O-])C[C@H]1CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300008294650	0	36	-1.0	-46.83	317.18	6.09	-40.74
O=C([O-])C[C@H]1CCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300008294651	0	36	-1.0	-46.14	332.10	6.63	-39.51
O=C([O-])C[C@H]1CCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300008294652	0	36	-1.0	-46.38	332.06	6.65	-39.73
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300008294653	0	37	-1.0	-56.63	321.14	-1.22	-57.85
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300008294654	0	35	-1.0	-50.96	303.47	5.24	-45.72
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300008294655	0	38	-1.0	-48.22	311.07	5.27	-42.95
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300008294656	0	34	-1.0	-49.53	308.74	4.24	-45.29
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300008294657	0	40	-1.0	-47.56	333.74	2.01	-45.55
CC1=NC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300008294658	0	41	-1.0	-51.20	346.60	3.65	-47.55
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300008294659	0	49	-1.0	-47.89	354.90	7.73	-40.16
CC1(C)COC(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C1	REAL300008294660	0	42	-1.0	-52.38	338.44	4.11	-48.27
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300008294661	0	35	-1.0	-56.42	308.70	0.53	-55.89
CC(C)(CS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1)C(C)(F)F	REAL300008294662	0	40	-1.0	-47.65	316.48	5.31	-42.34
CS(=O)(=O)CCCCS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294663	0	40	-1.0	-59.31	348.18	1.65	-57.66
CC1(C)CCC(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)OC1	REAL300008294664	0	45	-1.0	-51.47	352.74	4.99	-46.48
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300008294665	0	42	-1.0	-47.08	348.62	7.11	-39.97
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300008294666	0	36	-1.0	-52.35	326.89	3.88	-48.47
O=C([O-])C[C@H]1CCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300008294667	0	42	-1.0	-49.05	360.85	7.69	-41.36
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300008294668	0	41	-1.0	-50.83	330.87	2.18	-48.65
O=C([O-])C[C@H]1CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300008294669	0	45	-1.0	-46.72	345.69	6.81	-39.91
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300008294670	0	36	-1.0	-46.08	321.86	6.13	-39.95
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=CC=C21	REAL300008294671	0	54	-1.0	-46.31	407.69	8.98	-37.33
COC1=CC=C(C=C(C)S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300008294672	0	43	-1.0	-47.16	353.58	5.81	-41.35
COC1=CSC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1OC	REAL300008294673	0	37	-1.0	-48.13	332.92	3.24	-44.89
O=C([O-])C[C@H]1CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300008294674	0	44	-1.0	-45.47	338.77	5.31	-40.16
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294675	0	43	-1.0	-46.93	353.36	6.54	-40.39
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300008294676	0	36	-1.0	-50.34	325.98	5.66	-44.68
COC1=CC(F)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(F)=C1	REAL300008294677	0	36	-1.0	-47.44	316.87	4.41	-43.03
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300008294678	0	36	-1.0	-48.67	323.54	4.45	-44.22
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294679	0	38	-1.0	-48.38	321.62	4.73	-43.65
CN1C=CC2=CC(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=CC=C21	REAL300008294680	0	39	-1.0	-50.65	331.50	6.61	-44.04
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300008294681	0	41	-1.0	-47.66	356.96	5.27	-42.39
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294682	0	45	-1.0	-49.66	371.52	7.27	-42.39
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300008294683	0	43	-1.0	-48.92	366.75	7.63	-41.29
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294684	0	38	-1.0	-53.28	318.36	6.71	-46.57
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300008294685	0	33	-1.0	-48.86	316.31	3.73	-45.13
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294686	0	43	-1.0	-48.47	361.40	6.41	-42.06
CCN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C2CC2)=N1	REAL300008294687	0	42	-1.0	-50.23	349.17	5.40	-44.83
CC1=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C2=NSN=C2C=C1	REAL300008294688	0	36	-1.0	-52.46	311.73	3.96	-48.50
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300008294689	0	38	-1.0	-46.59	341.51	7.62	-38.97
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300008294690	0	42	-1.0	-46.19	368.99	8.73	-37.46
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300008294691	0	31	-1.0	-48.37	305.31	2.83	-45.54
CCC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1Br	REAL300008294692	0	38	-1.0	-44.84	337.09	6.68	-38.16
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294693	0	45	-1.0	-46.12	364.51	6.03	-40.09
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300008294694	0	29	-1.0	-44.51	286.87	4.33	-40.18
COCCC1=CC=C(OC)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294695	0	46	-1.0	-49.96	378.50	5.22	-44.74
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300008294696	0	38	-1.0	-48.22	330.18	7.40	-40.82
CN1N=C2CCOCC2=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294697	0	40	-1.0	-47.37	329.65	2.58	-44.79
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300008294698	0	39	-1.0	-46.73	310.10	6.48	-40.25
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CC1=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=NN1C(C)C	REAL300008294714	0	41	-1.0	-48.84	335.51	4.49	-44.35
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COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294724	0	38	-1.0	-47.34	339.00	3.06	-44.28
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CCOC1=CC=CN=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300008294726	0	38	-1.0	-53.00	322.44	4.14	-48.86
CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C2=NC=CC=C12	REAL300008294727	0	40	-1.0	-53.99	331.36	6.35	-47.64
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CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300008294731	0	45	-1.0	-49.42	363.07	6.90	-42.52
CN1C=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300008294732	0	39	-1.0	-52.69	348.98	6.87	-45.82
CN1C=C(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294733	0	39	-1.0	-57.98	349.00	6.86	-51.12
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C2=CC=CC=C12	REAL300008294734	0	42	-1.0	-57.09	363.62	7.76	-49.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C2=CC=CC=C12	REAL300008294735	0	43	-1.0	-59.00	369.38	6.68	-52.32
CC1=CC=C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)C=C1C(=O)[O-]	REAL300008294736	0	42	-1.0	-56.42	369.09	7.50	-48.92
CN1C=C(CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C2=CC=CC=C21	REAL300008294737	0	36	-1.0	-54.34	332.21	6.64	-47.70
CN1C=C(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294738	0	39	-1.0	-57.98	349.00	6.86	-51.12
CN1C=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300008294739	0	39	-1.0	-52.69	348.98	6.87	-45.82
CN1C=C(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294740	0	39	-1.0	-58.15	338.30	7.73	-50.42
CN1C=C(CNS(=O)(=O)C2=CNC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294741	0	37	-1.0	-55.98	337.52	4.57	-51.41
CN1C=C(CNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C2=CC=CC=C21	REAL300008294742	0	39	-1.0	-54.66	353.56	4.97	-49.69
CN1C=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C2=CC=CC=C21	REAL300008294743	0	36	-1.0	-50.79	341.27	5.99	-44.80
CN1C=C(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294744	0	36	-1.0	-57.49	325.11	3.90	-53.59
CN1C=C(CNS(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300008294745	0	44	-1.0	-53.05	364.42	5.88	-47.17
CN1C=C(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300008294746	0	44	-1.0	-52.61	365.62	5.95	-46.66
CN1C=C(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294747	0	39	-1.0	-58.15	338.30	7.73	-50.42
CN1C=C(CNS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294748	0	39	-1.0	-51.40	355.02	8.26	-43.14
CN1C=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C2=CC=CC=C21	REAL300008294749	0	36	-1.0	-52.33	333.75	5.22	-47.11
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)O1	REAL300008294750	0	39	-1.0	-53.97	351.98	5.69	-48.28
CN1C=C(CNS(=O)(=O)CCCC(=O)[O-])C2=CC=CC=C21	REAL300008294751	0	38	-1.0	-54.61	335.03	5.49	-49.12
CN1C=C(CNS(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C21	REAL300008294752	0	41	-1.0	-53.40	347.04	5.64	-47.76
CN1C=C(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300008294753	0	42	-1.0	-60.22	372.78	7.58	-52.64
CN1C=C(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300008294754	0	44	-1.0	-52.61	365.62	5.95	-46.66
CN1C=C(CNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294755	0	42	-1.0	-61.28	372.79	7.57	-53.71
CN1C=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C2=CC=CC=C21	REAL300008294756	0	36	-1.0	-52.33	333.75	5.22	-47.11
CN1C=C(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2=CC=CC=C21	REAL300008294757	0	43	-1.0	-51.91	380.07	7.14	-44.77
CN1C=C(CNS(=O)(=O)CCCC(=O)[O-])C2=CC=CC=C21	REAL300008294758	0	38	-1.0	-54.61	335.03	5.49	-49.12
CN1C=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C2=CC=CC=C21	REAL300008294759	0	36	-1.0	-54.10	342.18	5.88	-48.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)=C1C	REAL300008294760	0	45	-1.0	-58.32	380.59	8.31	-50.01
CC1=CC=CC(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)=C1C(=O)[O-]	REAL300008294761	0	42	-1.0	-61.81	365.75	7.92	-53.89
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)=C1	REAL300008294762	0	46	-1.0	-58.72	404.07	6.57	-52.15
CN1C=C(CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294763	0	36	-1.0	-53.64	340.65	5.89	-47.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=CN(C)C2=CC=CC=C12	REAL300008294764	0	42	-1.0	-54.32	358.22	7.63	-46.69
CN1C=C(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C2=CC=CC=C21	REAL300008294765	0	42	-1.0	-52.19	371.17	7.64	-44.55
CN1C=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C2=CC=CC=C21	REAL300008294766	0	36	-1.0	-53.37	334.00	4.97	-48.40
CN1C=C(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294767	0	42	-1.0	-55.61	371.16	7.63	-47.98
CC1=C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)C=C(C(=O)[O-])O1	REAL300008294768	0	39	-1.0	-55.04	353.69	5.97	-49.07
CN1C=C(CNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294769	0	38	-1.0	-51.89	344.17	5.05	-46.84
CN1C=C(CNS(=O)(=O)C2=CSN=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294770	0	35	-1.0	-58.73	326.50	5.12	-53.61
CN1C=C(CNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C2=CC=CC=C21	REAL300008294771	0	35	-1.0	-61.00	330.57	4.57	-56.43
CN1C=C(CNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294772	0	38	-1.0	-61.37	334.99	5.95	-55.42
CN1C=C(CNS(=O)(=O)CCCCCC(=O)[O-])C2=CC=CC=C21	REAL300008294773	0	44	-1.0	-55.71	378.02	7.05	-48.66
CN1C=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C2=CC=CC=C21	REAL300008294774	0	38	-1.0	-54.50	344.86	5.07	-49.43
CN1C=C(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294775	0	39	-1.0	-52.22	365.73	7.37	-44.85
COC1=CC=C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)C=C1C(=O)[O-]	REAL300008294776	0	43	-1.0	-63.66	376.28	6.92	-56.74
CC1=CC(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300008294777	0	42	-1.0	-51.91	365.01	7.40	-44.51
CN(CCC(=O)[O-])S(=O)(=O)NCC1=CN(C)C2=CC=CC=C12	REAL300008294778	0	40	-1.0	-52.78	348.16	5.07	-47.71
CN1C=C(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)C2=CC=CC=C21	REAL300008294779	0	44	-1.0	-56.62	381.76	7.28	-49.34
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)=C1	REAL300008294780	0	46	-1.0	-58.72	404.07	6.57	-52.15
CN1C=C(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294781	0	39	-1.0	-52.22	365.73	7.37	-44.85
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=CN(C)C2=CC=CC=C12	REAL300008294782	0	39	-1.0	-56.39	349.55	7.46	-48.93
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C2=CC=CC=C12	REAL300008294783	0	42	-1.0	-51.83	377.44	8.20	-43.63
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3=CN(C)C4=CC=CC=C34)C=C12	REAL300008294784	0	45	-1.0	-54.62	395.94	8.20	-46.42
CN1C=C(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300008294785	0	42	-1.0	-60.22	372.78	7.58	-52.64
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C2=CC=CC=C12	REAL300008294786	0	43	-1.0	-59.00	369.38	6.68	-52.32
CC1=CC=C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)C=C1C(=O)[O-]	REAL300008294787	0	42	-1.0	-56.42	369.09	7.50	-48.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C2=CC=CC=C12	REAL300008294788	0	42	-1.0	-57.09	363.62	7.76	-49.33
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C2=CC=CC=C12	REAL300008294789	0	43	-1.0	-48.56	383.26	6.89	-41.67
CN1C=C(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C2=CC=CC=C21	REAL300008294790	0	42	-1.0	-52.01	359.56	6.73	-45.28
CN1C=C(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294791	0	42	-1.0	-55.61	371.16	7.63	-47.98
COC1=C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)SC(C(=O)[O-])=C1	REAL300008294792	0	40	-1.0	-51.28	367.22	5.15	-46.13
CN1C=C(CNS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C2=CC=CC=C21	REAL300008294793	0	44	-1.0	-52.84	385.81	7.52	-45.32
CN1C=C(CNS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C2=CC=CC=C21	REAL300008294794	0	46	-1.0	-56.90	395.13	8.75	-48.15
CCC1=C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)C=C(C(=O)[O-])O1	REAL300008294795	0	42	-1.0	-54.66	373.34	6.78	-47.88
CN1C=C(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294796	0	41	-1.0	-52.17	366.50	8.41	-43.76
CN1C=C(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294797	0	41	-1.0	-46.15	366.48	8.41	-37.74
CC1=NC=C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)C=C1C(=O)[O-]	REAL300008294798	0	41	-1.0	-49.06	360.43	5.57	-43.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CN(C)C2=CC=CC=C12	REAL300008294799	0	43	-1.0	-52.23	369.42	6.68	-45.55
COC1=CC(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300008294800	0	43	-1.0	-57.73	376.27	6.93	-50.80
COC1=CC=C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)C(CC(=O)[O-])=C1	REAL300008294801	0	46	-1.0	-62.28	390.74	7.39	-54.89
CN1C=C(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C2=CC=CC=C21	REAL300008294802	0	42	-1.0	-53.81	376.58	7.68	-46.13
CN1C=C(CNS(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300008294803	0	48	-1.0	-53.56	402.15	8.50	-45.06
CN1C=C(CNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C2=CC=CC=C21	REAL300008294804	0	39	-1.0	-53.06	340.98	5.20	-47.86
CN1C=C(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C2=CC=CC=C21	REAL300008294805	0	45	-1.0	-54.47	385.27	9.07	-45.40
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)=C1	REAL300008294806	0	39	-1.0	-53.26	351.72	5.82	-47.44
CN1C=C(CNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294807	0	39	-1.0	-55.92	361.51	7.25	-48.67
CN1C=C(CNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C2=CC=CC=C21	REAL300008294808	0	36	-1.0	-58.84	326.21	5.71	-53.13
CN1C=C(CNS(=O)(=O)C2(C(=O)[O-])CCC2)C2=CC=CC=C21	REAL300008294809	0	39	-1.0	-52.04	333.69	6.07	-45.97
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)=C1	REAL300008294810	0	43	-1.0	-56.32	367.69	7.05	-49.27
CN1C=C(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294811	0	36	-1.0	-57.49	325.11	3.90	-53.59
CN1C=C(CNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C2=CC=CC=C21	REAL300008294812	0	39	-1.0	-53.06	340.98	5.20	-47.86
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C2=CC=CC=C12	REAL300008294814	0	46	-1.0	-55.18	395.43	6.98	-48.20
CN1C=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C2=CC=CC=C21	REAL300008294815	0	38	-1.0	-50.79	345.22	4.98	-45.81
CN1C=C(CNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294816	0	42	-1.0	-60.80	362.73	8.01	-52.79
CN1C=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C2=CC=CC=C21	REAL300008294817	0	36	-1.0	-50.00	348.66	5.51	-44.49
CN1C=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C2=CC=CC=C21	REAL300008294818	0	45	-1.0	-54.02	384.91	9.09	-44.93
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN(C)C2=CC=CC=C12	REAL300008294819	0	46	-1.0	-58.34	391.24	7.60	-50.74
COC1=CC=C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)C(C(=O)[O-])=C1	REAL300008294820	0	43	-1.0	-59.08	367.74	7.04	-52.04
CN1C=C(CNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294821	0	38	-1.0	-57.06	345.07	5.07	-51.99
CN1C=C(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294822	0	36	-1.0	-47.89	332.48	3.10	-44.79
CN1C=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C2=CC=CC=C21	REAL300008294823	0	39	-1.0	-57.50	350.51	4.61	-52.89
CN1C=C(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C2=CC=CC=C21	REAL300008294824	0	45	-1.0	-55.55	394.90	9.12	-46.43
CN1C=C(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C21	REAL300008294825	0	39	-1.0	-54.33	337.38	5.89	-48.44
CN1C=C(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C21	REAL300008294826	0	42	-1.0	-57.39	355.89	6.53	-50.86
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)S1	REAL300008294827	0	39	-1.0	-54.08	359.08	6.54	-47.54
CN1C=C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294828	0	45	-1.0	-61.51	384.03	10.01	-51.50
CN1C=C(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C2=CC=CC=C21	REAL300008294829	0	42	-1.0	-61.42	361.36	8.06	-53.36
CN1C=C(CNS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C2=CC=CC=C21	REAL300008294830	0	42	-1.0	-72.28	375.33	5.49	-66.79
CN1C=C(CNS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C2=CC=CC=C21	REAL300008294831	0	42	-1.0	-48.86	375.59	8.10	-40.76
CN1C=C(CNS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C2=CC=CC=C21	REAL300008294832	0	39	-1.0	-56.51	345.67	6.18	-50.33
CN1C=C(CNS(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C21	REAL300008294833	0	44	-1.0	-56.04	356.02	6.93	-49.11
CN1C=C(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294834	0	36	-1.0	-47.89	332.48	3.10	-44.79
CN1C=C(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C21	REAL300008294835	0	41	-1.0	-59.76	348.80	6.01	-53.75
CN1C=C(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294836	0	36	-1.0	-57.49	325.11	3.90	-53.59
CN1C=C(CNS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C2=CC=CC=C21	REAL300008294837	0	36	-1.0	-48.97	349.15	7.26	-41.71
CN1C=C(CNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C2=CC=CC=C21	REAL300008294838	0	39	-1.0	-60.04	329.38	6.58	-53.46
CC1=CC(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)=CN=C1C(=O)[O-]	REAL300008294839	0	41	-1.0	-55.70	361.68	5.61	-50.09
CN1C=C(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C2=CC=CC=C21	REAL300008294840	0	42	-1.0	-61.42	361.36	8.06	-53.36
CCOC1=CC=C(S(=O)(=O)NCC2=CN(C)C3=CC=CC=C23)C=C1C(=O)[O-]	REAL300008294841	0	46	-1.0	-60.94	398.14	7.83	-53.11
CN1C=C(CNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C2=CC=CC=C21	REAL300008294842	0	46	-1.0	-55.04	394.44	8.75	-46.29
CN1C=C(CNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C2=CC=CC=C21	REAL300008294843	0	38	-1.0	-52.06	333.85	5.94	-46.12
CN1C=C(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)C2=CC=CC=C21	REAL300008294844	0	44	-1.0	-59.20	390.75	7.24	-51.96
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=CC=C1	REAL300008294845	0	40	-1.0	-60.80	342.60	7.38	-53.42
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=CC(F)=C1	REAL300008294846	0	40	-1.0	-50.50	347.18	6.66	-43.84
CC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294847	0	45	-1.0	-62.76	382.03	7.01	-55.75
CN(C)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294848	0	38	-1.0	-58.78	320.25	4.56	-54.22
CCCCN(C)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294849	0	47	-1.0	-58.26	373.75	6.69	-51.57
CCCS(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294850	0	39	-1.0	-62.34	327.62	5.91	-56.43
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=CS1	REAL300008294851	0	37	-1.0	-44.66	327.73	5.49	-39.17
CC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])S1	REAL300008294852	0	40	-1.0	-59.15	356.41	7.19	-51.96
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300008294853	0	37	-1.0	-54.53	351.57	7.01	-47.52
COC1=CC=C(C)C=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294854	0	47	-1.0	-65.77	390.01	8.04	-57.73
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)N1CCOCC1	REAL300008294855	0	43	-1.0	-58.08	352.44	4.15	-53.93
CC1=CC(Cl)=CC=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294856	0	43	-1.0	-57.18	363.47	8.35	-48.83
CN1C=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=N1	REAL300008294857	0	40	-1.0	-58.01	347.08	5.11	-52.90
CCN(CC)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294858	0	44	-1.0	-60.48	359.56	6.23	-54.25
CN(C1CCCCC1)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294859	0	51	-1.0	-60.71	400.23	7.92	-52.79
CC1=NN(C)C(C)=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294860	0	46	-1.0	-57.59	378.72	6.40	-51.19
CCC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300008294861	0	46	-1.0	-59.99	385.47	8.83	-51.16
CC1=CC(F)=CC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294862	0	43	-1.0	-59.60	370.40	8.12	-51.48
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CCC1CC1	REAL300008294863	0	43	-1.0	-63.28	361.43	7.48	-55.80
COCC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300008294864	0	47	-1.0	-60.66	397.66	7.12	-53.54
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=N1	REAL300008294865	0	46	-1.0	-55.20	391.61	5.01	-50.19
CS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294866	0	45	-1.0	-78.86	394.31	3.31	-75.55
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300008294867	0	45	-1.0	-49.55	381.62	6.98	-42.57
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CC1=NOC=C1	REAL300008294868	0	39	-1.0	-48.58	339.89	4.67	-43.91
CC1=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=NN1C	REAL300008294869	0	43	-1.0	-64.16	359.46	5.38	-58.78
CN(C1CCOCC1)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294870	0	49	-1.0	-59.19	390.40	5.43	-53.76
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)N1CC2CCC1C2	REAL300008294871	0	46	-1.0	-61.81	370.29	6.95	-54.86
CCN1N=C(C)C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1C	REAL300008294872	0	49	-1.0	-61.04	401.61	7.29	-53.75
CC(C)N1C=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=N1	REAL300008294873	0	46	-1.0	-57.34	387.34	6.50	-50.84
CC(C)CN1C=NC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294874	0	49	-1.0	-49.45	402.14	7.63	-41.82
CC(C)N1C=NC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294875	0	46	-1.0	-49.84	383.11	6.74	-43.10
CC(C)C1=NC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=CN1	REAL300008294876	0	46	-1.0	-59.96	386.15	5.39	-54.57
CC1=C(F)C=CC=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294877	0	43	-1.0	-56.71	353.08	7.93	-48.78
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300008294878	0	43	-1.0	-61.30	376.76	8.32	-52.98
COCCC(C)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294879	0	46	-1.0	-63.32	377.13	5.90	-57.42
COC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294880	0	44	-1.0	-65.03	375.00	7.43	-57.60
CCC(C)CS(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294881	0	45	-1.0	-63.25	364.64	7.13	-56.12
CCN(CC1CC1)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294882	0	48	-1.0	-59.17	388.70	7.80	-51.37
CCCN1C=NC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294883	0	46	-1.0	-49.12	384.99	7.12	-42.00
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CCOCC1CC1	REAL300008294884	0	47	-1.0	-47.26	392.34	6.00	-41.26
CCOCC(C)CS(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294885	0	49	-1.0	-64.33	401.18	6.55	-57.78
CC(C)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294886	0	49	-1.0	-62.68	383.11	8.99	-53.69
CCOC1=CC=CC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294887	0	47	-1.0	-54.33	392.05	6.82	-47.51
COCCN1C=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=N1	REAL300008294888	0	47	-1.0	-57.06	402.35	5.02	-52.04
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008294889	0	45	-1.0	-49.35	381.90	6.97	-42.38
CC1CCN(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300008294890	0	45	-1.0	-46.65	361.62	5.61	-41.04
COCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294891	0	47	-1.0	-61.99	390.52	7.49	-54.50
CSC1=CC=CC=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294892	0	44	-1.0	-64.82	372.30	8.19	-56.63
CCC1=CC=CC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294893	0	46	-1.0	-48.65	383.69	8.03	-40.62
CCC1=CC=C(CS(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300008294894	0	49	-1.0	-65.02	411.17	9.58	-55.44
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CCC1=CC=CS1	REAL300008294895	0	43	-1.0	-60.68	377.75	8.02	-52.66
CC1=CC=C(CS(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1C	REAL300008294896	0	49	-1.0	-64.53	404.44	9.37	-55.16
CC(C)CN(C)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294897	0	47	-1.0	-60.16	378.02	7.09	-53.07
CCN(C)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294898	0	41	-1.0	-58.98	338.86	5.41	-53.57
CN(C1CCCC1)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294899	0	48	-1.0	-59.70	383.80	7.24	-52.46
CCCN(C)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294900	0	44	-1.0	-59.71	363.44	6.21	-53.50
CC1(C)CN(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CCO1	REAL300008294901	0	49	-1.0	-57.80	388.74	5.59	-52.21
CC1=NOC(CS(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294902	0	42	-1.0	-67.91	366.02	6.16	-61.75
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CC1(CS(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CCCCC1	REAL300008294907	0	52	-1.0	-46.34	391.08	8.19	-38.15
CN1N=NC=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294908	0	39	-1.0	-48.79	335.97	2.92	-45.87
CC1=CC=C(CS(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C(F)=C1	REAL300008294909	0	46	-1.0	-68.22	395.80	8.71	-59.51
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CC1=C(CCS(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])SC=N1	REAL300008294911	0	45	-1.0	-61.55	391.44	6.66	-54.89
COCC1(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300008294912	0	44	-1.0	-51.56	355.31	5.93	-45.63
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O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CCC1CCOC1	REAL300008294914	0	47	-1.0	-46.62	381.66	5.22	-41.40
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008294915	0	47	-1.0	-46.31	392.59	8.80	-37.51
CN1C=CC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=N1	REAL300008294916	0	40	-1.0	-66.03	347.48	4.95	-61.08
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O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008294918	0	42	-1.0	-54.44	370.83	8.06	-46.38
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008294919	0	46	-1.0	-51.79	386.61	8.87	-42.92
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COC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300008294921	0	44	-1.0	-58.96	372.09	6.68	-52.28
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008294922	0	42	-1.0	-79.17	364.39	9.13	-70.04
CC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300008294923	0	43	-1.0	-60.47	364.01	8.07	-52.40
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300008294924	0	47	-1.0	-59.47	393.92	7.61	-51.86
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C(C)=C1	REAL300008294925	0	49	-1.0	-47.87	383.10	8.57	-39.30
CC1=CC=CC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294926	0	43	-1.0	-49.72	362.11	7.26	-42.46
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C=CC1=CC=CC=C1	REAL300008294927	0	44	-1.0	-52.60	374.69	7.91	-44.69
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008294928	0	40	-1.0	-48.71	357.50	7.11	-41.60
CC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300008294929	0	45	-1.0	-63.03	383.84	7.80	-55.23
CC1=CC=C(C)C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294930	0	46	-1.0	-62.68	370.08	8.58	-54.10
CC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1C	REAL300008294931	0	46	-1.0	-50.59	379.12	7.80	-42.79
CC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C(C)=C1	REAL300008294932	0	46	-1.0	-61.53	368.16	8.51	-53.02
CC(C)C1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300008294933	0	49	-1.0	-59.61	402.81	9.31	-50.30
CCCCS(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294934	0	42	-1.0	-62.37	349.12	6.68	-55.69
CCCC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300008294935	0	49	-1.0	-59.79	406.98	9.61	-50.18
COC1=CC=CC=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294936	0	44	-1.0	-65.75	366.20	7.28	-58.47
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CC1=CC=CC=C1	REAL300008294937	0	43	-1.0	-64.85	368.23	8.15	-56.70
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008294938	0	47	-1.0	-60.36	388.11	9.29	-51.07
CC1=NOC(C)=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294939	0	42	-1.0	-52.72	357.66	6.04	-46.68
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008294940	0	48	-1.0	-60.23	397.08	9.79	-50.44
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008294941	0	45	-1.0	-59.34	378.50	7.25	-52.09
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)N1CCCCCC1	REAL300008294942	0	48	-1.0	-60.46	369.94	7.04	-53.42
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)N1CCCCC1	REAL300008294943	0	45	-1.0	-58.98	361.20	6.58	-52.40
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)N1CCCC1	REAL300008294944	0	42	-1.0	-60.60	348.38	5.66	-54.94
CC1CCN(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300008294945	0	48	-1.0	-46.23	378.27	6.51	-39.72
CC1CC(C)CN(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300008294946	0	51	-1.0	-59.92	397.23	7.95	-51.97
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008294947	0	46	-1.0	-67.03	379.85	8.90	-58.13
CC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294948	0	43	-1.0	-62.19	353.97	7.97	-54.22
COC1=CC=CC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294949	0	44	-1.0	-53.89	370.19	5.89	-48.00
CC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1Cl	REAL300008294950	0	43	-1.0	-44.97	376.17	7.70	-37.27
CCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294951	0	46	-1.0	-47.55	368.50	7.92	-39.63
CC1=CC=CC=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294952	0	43	-1.0	-61.74	346.83	7.85	-53.89
CC1=NC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=CN1C	REAL300008294953	0	43	-1.0	-61.17	365.79	5.83	-55.34
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300008294954	0	41	-1.0	-59.83	356.52	6.21	-53.62
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008294955	0	45	-1.0	-70.01	379.63	8.40	-61.61
COC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1F	REAL300008294956	0	44	-1.0	-52.46	376.40	5.98	-46.48
CC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1F	REAL300008294957	0	43	-1.0	-44.65	367.42	7.30	-37.35
CN1C=NC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294958	0	40	-1.0	-63.89	346.61	6.49	-57.40
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=CN=C1	REAL300008294959	0	39	-1.0	-59.83	337.56	5.61	-54.22
CC1CCCCN1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294960	0	48	-1.0	-46.41	366.91	6.80	-39.61
CC(C)N(C)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294961	0	44	-1.0	-60.10	360.11	5.66	-54.44
CCCN(CCC)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294962	0	50	-1.0	-61.28	403.88	7.64	-53.64
CC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294963	0	43	-1.0	-61.34	364.31	8.42	-52.92
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1CC1	REAL300008294964	0	37	-1.0	-61.91	315.53	5.97	-55.94
COC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1C	REAL300008294965	0	47	-1.0	-50.09	390.26	6.65	-43.44
COC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C(C)=C1	REAL300008294966	0	47	-1.0	-59.85	376.19	7.14	-52.71
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CC1=CC=CC=C1F	REAL300008294967	0	43	-1.0	-64.73	374.40	8.03	-56.70
CC1=NC(C)=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])S1	REAL300008294968	0	42	-1.0	-57.95	369.87	5.68	-52.27
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CC1CCCC1	REAL300008294969	0	46	-1.0	-62.65	369.25	7.86	-54.79
COC1=CC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=CC=C1F	REAL300008294970	0	44	-1.0	-55.87	378.32	6.75	-49.12
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CSC=C1	REAL300008294971	0	37	-1.0	-58.71	333.69	6.32	-52.39
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008294972	0	45	-1.0	-62.57	374.31	7.80	-54.77
CN(C1CC1)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294973	0	42	-1.0	-59.70	349.20	5.97	-53.73
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008294974	0	43	-1.0	-70.66	371.17	5.86	-64.80
CC1=CC=CC(CS(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294975	0	46	-1.0	-63.82	387.41	8.83	-54.99
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300008294976	0	43	-1.0	-62.59	372.42	8.24	-54.35
CC1=CC=CC=C1CS(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294977	0	46	-1.0	-65.03	383.43	8.66	-56.37
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300008294978	0	45	-1.0	-58.96	378.57	6.68	-52.28
CSC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300008294979	0	44	-1.0	-58.34	382.80	8.41	-49.93
CCCCCCCS(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294980	0	51	-1.0	-63.46	416.67	8.88	-54.58
CCN1C=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])N=C1C	REAL300008294981	0	46	-1.0	-70.95	391.18	6.98	-63.97
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008294982	0	45	-1.0	-61.23	373.01	7.43	-53.80
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CC1CCCO1	REAL300008294983	0	44	-1.0	-69.56	364.27	5.74	-63.82
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CC1CCCCO1	REAL300008294984	0	47	-1.0	-66.59	379.75	6.58	-60.01
COCC1=CC=CC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294985	0	47	-1.0	-48.83	395.87	6.32	-42.51
CCN1C=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=N1	REAL300008294986	0	43	-1.0	-61.38	368.67	5.97	-55.41
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300008294987	0	43	-1.0	-63.19	382.57	8.45	-54.74
CC(C1CC1)N(C)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294988	0	48	-1.0	-58.69	381.43	7.24	-51.45
CN1N=CC=C1S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294989	0	40	-1.0	-47.67	341.74	4.23	-43.44
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)CC1CCOC1	REAL300008294990	0	44	-1.0	-64.12	358.38	5.35	-58.77
CCCCCS(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294991	0	45	-1.0	-63.38	373.67	7.32	-56.06
COCCN(C)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294992	0	45	-1.0	-63.92	371.27	5.52	-58.40
CN(CC1CC1)S(=O)(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300008294993	0	45	-1.0	-58.37	371.24	6.96	-51.41
CC1=CC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C(C)O1	REAL300008294994	0	43	-1.0	-50.70	360.16	5.90	-44.80
CC1=CSC(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300008294995	0	40	-1.0	-45.11	349.36	6.15	-38.96
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008294996	0	43	-1.0	-55.45	368.98	7.73	-47.72
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008294997	0	43	-1.0	-60.15	368.62	6.05	-54.10
COC1=CC=C(S(=O)(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=N1	REAL300008294998	0	43	-1.0	-55.41	369.76	4.08	-51.33
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=CO1	REAL300008294999	0	37	-1.0	-58.15	325.30	5.40	-52.75
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1S(=O)(=O)C1=CN=C2CCCN12	REAL300008295000	0	44	-1.0	-57.29	369.20	5.96	-51.33
COC1=CC=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300008297974	0	36	-1.0	-48.51	290.06	4.16	-44.35
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300008297975	0	43	-1.0	-50.70	358.94	4.38	-46.32
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C	REAL300008297976	0	43	-1.0	-58.36	360.59	1.04	-57.32
O=C([O-])CC1(NS(=O)(=O)N2CCC3(CCCCC3)CC2)CCC1	REAL300008297977	0	50	-1.0	-42.46	353.88	5.94	-36.52
CC1=NC2=C(S(=O)(=O)NC3(CC(=O)[O-])CCC3)C=CC=C2C=C1	REAL300008297978	0	40	-1.0	-51.08	327.66	5.87	-45.21
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CCC1	REAL300008297979	0	40	-1.0	-53.01	333.64	6.03	-46.98
O=C([O-])CC1(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)CCC1	REAL300008297980	0	43	-1.0	-44.77	345.05	2.45	-42.32
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300008297981	0	46	-1.0	-45.78	386.09	5.59	-40.19
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300008297982	0	46	-1.0	-48.66	366.29	5.40	-43.26
CCCN1C=NC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300008297983	0	38	-1.0	-51.11	314.82	4.59	-46.52
CC(COC1CCCC1)CS(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300008297984	0	48	-1.0	-61.39	368.74	5.60	-55.79
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300008297985	0	39	-1.0	-44.22	336.29	4.34	-39.88
O=C([O-])CC1(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)CCC1	REAL300008297986	0	40	-1.0	-43.46	325.44	1.67	-41.79
COC1=CC(Br)=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300008297987	0	36	-1.0	-43.78	318.55	3.95	-39.83
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CCC1	REAL300008297988	0	36	-1.0	-47.92	299.47	4.40	-43.52
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC=C1[N+](=O)[O-]	REAL300008297989	0	38	-1.0	-45.25	323.28	4.77	-40.48
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300008297990	0	38	-1.0	-51.93	322.68	5.83	-46.10
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300008297991	0	38	-1.0	-56.03	322.36	5.82	-50.21
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC=C1C(F)(F)F	REAL300008297992	0	38	-1.0	-42.32	322.19	5.54	-36.78
CC(C)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300008297993	0	41	-1.0	-58.98	319.31	5.99	-52.99
CCOC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300008297994	0	39	-1.0	-44.91	319.11	4.25	-40.66
COCCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=N1	REAL300008297995	0	39	-1.0	-55.73	328.23	1.62	-54.11
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CCC1	REAL300008297996	0	39	-1.0	-51.12	332.16	4.56	-46.56
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1C	REAL300008297997	0	59	-1.0	-44.10	454.31	8.43	-35.67
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300008297998	0	40	-1.0	-43.46	339.89	6.27	-37.19
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)CCC1	REAL300008297999	0	37	-1.0	-51.88	308.96	4.37	-47.51
O=C([O-])CC1(NS(=O)(=O)CC2=CC=CC(Br)=C2)CCC1	REAL300008298000	0	35	-1.0	-42.29	311.44	5.44	-36.85
CCOCC(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300008312809	0	36	-1.0	-60.85	324.89	2.22	-58.63
CCOCC(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300008312810	0	43	-1.0	-64.19	380.49	2.46	-61.73
CCOCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300008312811	0	43	-1.0	-59.91	381.00	-0.73	-60.64
CCOCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300008312812	0	50	-1.0	-55.93	376.04	3.98	-51.95
CCOCC(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300008312813	0	40	-1.0	-54.88	348.39	3.58	-51.30
CCOCC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008312814	0	40	-1.0	-70.40	353.94	4.20	-66.20
CCOCC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300008312815	0	43	-1.0	-47.82	365.20	0.91	-46.91
CCOCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300008312816	0	46	-1.0	-48.41	412.06	3.48	-44.93
CCOCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300008312817	0	46	-1.0	-62.79	407.22	3.64	-59.15
CCCN1C=NC(S(=O)(=O)NC(COCC)C(=O)[O-])=C1	REAL300008312818	0	38	-1.0	-63.58	335.45	3.30	-60.28
CCOCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300008312819	0	48	-1.0	-43.28	389.35	3.72	-39.56
CCOCC(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008312820	0	39	-1.0	-45.74	358.19	2.69	-43.05
CCOCC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300008312821	0	40	-1.0	-46.79	348.00	0.14	-46.65
CCOCC(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300008312822	0	36	-1.0	-46.08	340.75	2.31	-43.77
CCOCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300008312823	0	36	-1.0	-46.13	334.46	2.51	-43.62
CCOCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300008312824	0	38	-1.0	-53.20	344.66	3.04	-50.16
CCOCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300008312825	0	38	-1.0	-54.09	344.79	4.17	-49.92
CCOCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300008312826	0	38	-1.0	-58.52	343.97	4.29	-54.23
CCOCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300008312827	0	38	-1.0	-53.14	343.57	3.81	-49.33
CCOCC(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300008312828	0	41	-1.0	-59.67	341.71	4.36	-55.31
CCOCC(NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300008312829	0	39	-1.0	-57.35	340.54	2.52	-54.83
CCOCC(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300008312830	0	39	-1.0	-46.52	347.80	-0.03	-46.55
CCOCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300008312831	0	39	-1.0	-61.63	353.36	2.86	-58.77
CCOCC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008312832	0	40	-1.0	-61.99	362.50	4.48	-57.51
CCOCC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300008312833	0	37	-1.0	-51.08	329.23	2.73	-48.35
CCOCC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300008312834	0	35	-1.0	-44.37	330.60	3.63	-40.74
CCOCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300008312835	0	35	-1.0	-59.46	329.57	3.58	-55.88
CCOCC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300008312836	0	39	-1.0	-69.14	353.68	0.18	-68.96
CCOCC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300008312837	0	35	-1.0	-45.66	332.67	3.67	-41.99
CCOCC(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300008312838	0	35	-1.0	-54.68	322.95	3.77	-50.91
CCOCC(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300008312839	0	39	-1.0	-56.17	336.72	2.47	-53.70
CCOCC(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300008312840	0	36	-1.0	-53.49	338.91	2.29	-51.20
CCOCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300008312841	0	40	-1.0	-48.25	363.69	2.08	-46.17
CCOCC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300008312842	0	35	-1.0	-50.15	332.00	1.43	-48.72
CCOCC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300008312843	0	35	-1.0	-50.49	327.89	1.30	-49.19
CCOCC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300008312844	0	43	-1.0	-56.32	366.52	3.58	-52.74
CCOCC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300008312845	0	35	-1.0	-49.37	328.28	1.43	-47.94
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(COCC)C(=O)[O-])C=C1	REAL300008312846	0	44	-1.0	-60.82	392.86	1.52	-59.30
CCOCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300008312847	0	36	-1.0	-48.41	325.96	3.48	-44.93
CCOCC(NS(=O)(=O)C1=CC=CC(CC)=C1)C(=O)[O-]	REAL300008312848	0	38	-1.0	-46.46	332.60	3.83	-42.63
CCOCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300008312849	0	40	-1.0	-59.06	367.95	-0.91	-59.97
CCOCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300008312850	0	43	-1.0	-70.67	370.35	2.35	-68.32
CCOCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300008312851	0	43	-1.0	-58.04	389.55	-0.04	-58.08
CCOCC(NS(=O)(=O)CC1=CC=C(CC)C=C1)C(=O)[O-]	REAL300008312852	0	41	-1.0	-45.65	352.19	4.45	-41.20
CCOCC(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300008312853	0	35	-1.0	-59.21	324.51	2.90	-56.31
CCOCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300008312854	0	47	-1.0	-60.17	402.89	2.74	-57.43
CCOCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300008312855	0	44	-1.0	-59.59	381.25	2.34	-57.25
CCOCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300008312856	0	41	-1.0	-56.50	372.12	0.81	-55.69
CCOCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300008312857	0	42	-1.0	-51.32	379.01	-0.31	-51.63
CCOCC(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300008312858	0	41	-1.0	-47.51	350.71	4.28	-43.23
CCOCC(NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300008312859	0	39	-1.0	-54.20	360.76	3.21	-50.99
CCOCC(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300008312860	0	46	-1.0	-59.89	397.16	5.38	-54.51
CCOCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300008312861	0	36	-1.0	-45.29	341.92	2.97	-42.32
CCOCC(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300008312862	0	39	-1.0	-47.84	355.50	2.89	-44.95
CCOCC(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300008312863	0	41	-1.0	-45.89	336.15	0.60	-45.29
CCOCC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300008312864	0	46	-1.0	-48.58	401.05	4.31	-44.27
CCOCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300008312865	0	39	-1.0	-60.33	358.00	3.33	-57.00
CCOCC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300008312866	0	44	-1.0	-48.16	378.77	3.90	-44.26
CCOCC(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300008312867	0	39	-1.0	-50.51	352.39	-2.90	-53.41
CCOCC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008312868	0	38	-1.0	-56.88	343.98	3.64	-53.24
CCOCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300008312869	0	35	-1.0	-46.13	345.60	4.34	-41.79
CCOCC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008312870	0	38	-1.0	-46.39	352.44	5.12	-41.27
CCOCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008312871	0	35	-1.0	-55.68	343.58	4.23	-51.45
CCOCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300008312872	0	38	-1.0	-48.60	342.65	5.09	-43.51
CCOCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300008312873	0	38	-1.0	-58.80	350.18	4.09	-54.71
CCOCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008312874	0	43	-1.0	-46.98	366.70	3.63	-43.35
CCOCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300008312875	0	46	-1.0	-60.37	405.49	5.70	-54.67
CCOCC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300008312876	0	45	-1.0	-61.05	396.44	3.89	-57.16
CCOCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300008312877	0	43	-1.0	-48.31	385.55	-0.64	-48.95
CCOCC(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300008312878	0	41	-1.0	-48.37	358.84	5.35	-43.02
CCOCC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300008312879	0	43	-1.0	-56.38	363.63	2.97	-53.41
CCOCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300008312880	0	38	-1.0	-60.88	350.48	4.24	-56.64
CCOCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300008312881	0	37	-1.0	-48.47	312.66	-0.82	-49.29
CCOCC(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300008312882	0	45	-1.0	-45.86	370.29	2.76	-43.10
CCOCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300008312883	0	39	-1.0	-58.63	351.22	3.00	-55.63
CCOCC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008312884	0	41	-1.0	-54.44	372.98	0.59	-53.85
CCOCC(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300008312885	0	36	-1.0	-54.06	344.20	3.79	-50.27
CCOCC(NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300008312886	0	44	-1.0	-55.35	361.81	2.77	-52.58
CCOCC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300008312887	0	40	-1.0	-49.79	361.12	0.96	-48.83
CCOCC(NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300008312888	0	39	-1.0	-49.22	351.19	0.10	-49.12
CCOCC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300008312889	0	43	-1.0	-52.23	385.56	2.14	-50.09
CCOCC(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300008312890	0	37	-1.0	-54.67	333.50	1.42	-53.25
CCOCC(NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300008312891	0	50	-1.0	-46.27	390.49	6.99	-39.28
CCOCC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300008312892	0	39	-1.0	-55.46	333.83	2.38	-53.08
CCOCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300008312893	0	38	-1.0	-53.18	357.82	0.38	-52.80
CCOCC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300008312894	0	41	-1.0	-68.67	356.26	6.18	-62.49
CCOCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300008312895	0	39	-1.0	-54.77	339.49	2.59	-52.18
CCOCC(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300008312896	0	44	-1.0	-60.12	338.86	3.80	-56.32
CCOCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300008312897	0	41	-1.0	-45.97	344.04	3.64	-42.33
CCOCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300008312899	0	40	-1.0	-50.48	359.40	3.68	-46.80
CCOCC(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300008312900	0	39	-1.0	-44.49	359.84	2.59	-41.90
CCOCC(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300008312901	0	38	-1.0	-60.82	339.52	3.73	-57.09
CCOCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300008312903	0	32	-1.0	-42.72	322.53	2.58	-40.14
CCOCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300008312904	0	45	-1.0	-60.87	377.64	5.61	-55.26
CCOCC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300008312905	0	43	-1.0	-60.53	370.91	3.03	-57.50
CCOCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300008312906	0	41	-1.0	-50.04	346.68	-0.53	-50.57
CCOCC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008312907	0	35	-1.0	-56.06	326.43	2.82	-53.24
CCOCC(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300008312908	0	37	-1.0	-46.35	337.30	1.58	-44.77
CCOCC(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300008312909	0	42	-1.0	-45.18	333.20	3.83	-41.35
CCOCC(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300008312910	0	44	-1.0	-48.75	373.81	4.09	-44.66
CCOCC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300008312911	0	43	-1.0	-61.22	361.77	-0.54	-61.76
CCOCC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300008312912	0	41	-1.0	-57.59	342.30	3.48	-54.11
CCOCC(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300008312913	0	39	-1.0	-47.11	339.94	4.50	-42.61
CCOCC(NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008312914	0	40	-1.0	-62.16	351.56	4.12	-58.04
CCOCC(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300008312915	0	32	-1.0	-53.97	305.91	2.82	-51.15
CCOCC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300008312916	0	32	-1.0	-53.78	310.48	2.92	-50.86
CCOCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300008312917	0	34	-1.0	-52.67	317.39	2.97	-49.70
CCOCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300008312918	0	38	-1.0	-58.40	335.03	4.56	-53.84
CCOCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008312919	0	34	-1.0	-45.12	317.93	3.07	-42.05
CCOCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300008312920	0	37	-1.0	-62.32	333.26	3.93	-58.39
CCOCC(NS(=O)(=O)C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300008312921	0	36	-1.0	-56.38	318.67	1.60	-54.78
CCOCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300008312922	0	34	-1.0	-63.60	307.69	3.83	-59.77
CCOCC(NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300008312923	0	39	-1.0	-46.02	359.05	3.72	-42.30
CCOCC(NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300008312924	0	39	-1.0	-56.04	340.37	2.54	-53.50
CCOCC(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300008312925	0	44	-1.0	-47.70	350.71	5.06	-42.64
CCOCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300008312926	0	41	-1.0	-45.60	335.91	4.61	-40.99
CCOCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300008312927	0	47	-1.0	-59.44	381.11	5.60	-53.84
CCOCC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300008312928	0	35	-1.0	-44.14	328.69	3.39	-40.75
CCOCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300008312929	0	35	-1.0	-58.61	313.67	3.87	-54.74
CCOCC(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300008312930	0	32	-1.0	-54.65	305.78	2.84	-51.81
CCOCC(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300008312931	0	37	-1.0	-60.48	331.74	2.81	-57.67
CCOCC(NS(=O)(=O)C1=CC(C)=CC=C1C)C(=O)[O-]	REAL300008312932	0	38	-1.0	-59.04	326.45	3.93	-55.11
CCOCC(NS(=O)(=O)C1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300008312933	0	38	-1.0	-58.21	327.56	3.50	-54.71
CCOCC(NS(=O)(=O)C1=CC=C(C)C=C1C)C(=O)[O-]	REAL300008312934	0	38	-1.0	-58.43	327.27	3.80	-54.63
CCOCC(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008312935	0	38	-1.0	-63.16	344.64	3.04	-60.12
CCOCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300008312936	0	44	-1.0	-56.70	365.26	4.64	-52.06
CCOCC(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300008312937	0	41	-1.0	-56.86	349.39	4.23	-52.63
CCOCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300008312938	0	43	-1.0	-58.57	384.62	0.31	-58.26
CCCC1=CC=C(S(=O)(=O)NC(COCC)C(=O)[O-])C=C1	REAL300008312939	0	41	-1.0	-57.01	353.59	4.52	-52.49
CCOCC(NS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300008312940	0	36	-1.0	-49.41	318.20	2.21	-47.20
CCOCC(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300008312941	0	36	-1.0	-54.65	338.90	2.29	-52.36
CCOCC(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300008312942	0	35	-1.0	-53.83	328.53	3.50	-50.33
CCOCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300008312943	0	46	-1.0	-55.53	399.15	5.83	-49.70
CCOCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300008312944	0	36	-1.0	-54.05	335.16	2.09	-51.96
CCOCC(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300008312945	0	47	-1.0	-57.34	363.04	5.39	-51.95
CCOCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300008312946	0	41	-1.0	-56.41	351.95	2.24	-54.17
CCOCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300008312947	0	48	-1.0	-49.90	394.43	4.51	-45.39
CCOCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300008312948	0	37	-1.0	-62.26	333.35	3.49	-58.77
CCOCC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300008312949	0	36	-1.0	-60.10	339.78	2.77	-57.33
CCOCC(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300008312950	0	50	-1.0	-46.21	389.75	6.15	-40.06
CCOCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300008312951	0	35	-1.0	-53.39	327.74	3.32	-50.07
CCOCC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300008312952	0	42	-1.0	-57.31	351.91	4.79	-52.52
CCOCC(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300008312953	0	40	-1.0	-63.76	348.10	1.43	-62.33
CCOCC(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300008312954	0	40	-1.0	-56.55	347.86	1.50	-55.05
CCOCC(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300008312955	0	39	-1.0	-58.23	334.57	4.23	-54.00
CCOCC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300008312956	0	40	-1.0	-47.07	338.72	4.68	-42.39
CCOCC(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300008312957	0	37	-1.0	-48.50	325.88	2.25	-46.25
CCOCC(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300008312958	0	47	-1.0	-56.83	392.65	5.81	-51.02
CCOCC(NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300008312959	0	46	-1.0	-57.61	391.60	3.34	-54.27
CCOCC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300008312960	0	37	-1.0	-60.29	343.43	-2.75	-63.04
CCOCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300008312961	0	40	-1.0	-61.06	350.39	4.45	-56.61
CCOCC(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300008312962	0	40	-1.0	-53.18	334.41	4.04	-49.14
CCOCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008312963	0	38	-1.0	-59.54	337.15	3.14	-56.40
CCOCC(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300008312964	0	36	-1.0	-56.88	335.24	2.66	-54.22
CCOCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300008312965	0	37	-1.0	-52.68	343.90	-2.64	-55.32
CCOCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300008312966	0	44	-1.0	-59.92	398.18	0.15	-59.77
CCOCC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300008312967	0	40	-1.0	-58.88	354.74	3.83	-55.05
CCOCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300008312968	0	41	-1.0	-55.22	342.25	3.49	-51.73
CCOCC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300008312969	0	40	-1.0	-50.23	345.93	3.69	-46.54
CCOCC(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008312970	0	40	-1.0	-61.85	346.79	5.07	-56.78
CCOCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300008312971	0	43	-1.0	-52.64	385.31	0.40	-52.24
CCOCC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300008312972	0	44	-1.0	-56.26	373.83	1.70	-54.56
CCOCC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300008312973	0	38	-1.0	-62.82	349.73	-0.16	-62.98
CCOCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300008312974	0	42	-1.0	-63.27	359.08	5.93	-57.34
CCOCC(NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300008312975	0	43	-1.0	-56.44	335.13	2.46	-53.98
CCOCC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300008312976	0	38	-1.0	-60.72	331.36	4.71	-56.01
CCOCC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300008312977	0	42	-1.0	-57.64	363.20	5.73	-51.91
CCOCC(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300008312978	0	35	-1.0	-58.62	311.30	3.35	-55.27
CCOCC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300008312979	0	46	-1.0	-58.07	384.78	4.56	-53.51
CCOCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300008312980	0	33	-1.0	-59.67	315.10	0.66	-59.01
CCOCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300008312981	0	36	-1.0	-60.20	335.21	2.67	-57.53
CCOCC(NS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300008312982	0	36	-1.0	-47.48	317.55	1.66	-45.82
CCOCC(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300008312983	0	47	-1.0	-56.65	379.49	5.11	-51.54
CCOCC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300008312984	0	35	-1.0	-57.15	324.47	3.42	-53.73
CCOCC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300008312985	0	42	-1.0	-55.91	358.30	3.16	-52.75
CCOCC(NS(=O)(=O)C1=CC=CC=C1CC)C(=O)[O-]	REAL300008312986	0	38	-1.0	-58.76	321.54	4.13	-54.63
CCOCC(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300008312987	0	33	-1.0	-66.55	299.01	1.17	-65.38
CCOCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008312988	0	37	-1.0	-55.39	346.27	4.85	-50.54
CCOCC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300008312989	0	37	-1.0	-53.20	314.35	3.48	-49.72
CCOCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300008312990	0	43	-1.0	-57.55	394.66	5.69	-51.86
CCOCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300008312991	0	38	-1.0	-54.52	346.81	2.80	-51.72
CCOCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300008312992	0	36	-1.0	-54.67	324.85	1.67	-53.00
CCOCC(NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300008312993	0	35	-1.0	-57.68	315.73	3.03	-54.65
CCOCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300008312994	0	43	-1.0	-55.77	394.57	5.66	-50.11
CCOCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300008312995	0	47	-1.0	-55.97	407.22	4.45	-51.52
CCOCC(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300008312996	0	59	-1.0	-45.89	445.80	8.28	-37.61
CCOCC(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300008312997	0	48	-1.0	-49.79	394.72	5.53	-44.26
CCOCC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300008312998	0	35	-1.0	-41.93	341.22	3.98	-37.95
CCOCC(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300008312999	0	42	-1.0	-50.77	359.78	4.06	-46.71
CCOCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300008313000	0	37	-1.0	-52.93	333.23	3.91	-49.02
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322759	0	34	-1.0	-56.49	296.12	4.80	-51.69
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322760	0	41	-1.0	-57.41	350.61	5.04	-52.37
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1C	REAL300008322761	0	41	-1.0	-58.18	357.96	1.82	-56.36
O=C([O-])C1=CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300008322762	0	48	-1.0	-50.12	353.12	6.54	-43.58
CC1=NC2=C(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)C=CC=C2C=C1	REAL300008322763	0	38	-1.0	-57.55	316.17	6.29	-51.26
O=C([O-])C1=CCCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300008322764	0	38	-1.0	-65.67	330.34	6.79	-58.88
O=C([O-])C1=CCCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300008322765	0	41	-1.0	-55.02	343.23	3.41	-51.61
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322766	0	44	-1.0	-57.09	383.48	6.04	-51.05
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322767	0	44	-1.0	-56.51	378.20	6.15	-50.36
COCCOCCOCCS(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322768	0	44	-1.0	-58.43	374.05	2.22	-56.21
CC(COC1CCCC1)CS(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322769	0	46	-1.0	-55.88	366.39	6.26	-49.62
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322770	0	37	-1.0	-50.79	334.30	5.16	-45.63
O=C([O-])C1=CCCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300008322771	0	38	-1.0	-54.65	324.11	2.62	-52.03
COC1=CC(Br)=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322772	0	34	-1.0	-51.24	316.91	4.80	-46.44
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300008322773	0	34	-1.0	-55.41	305.88	5.07	-50.34
COC1=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300008322774	0	36	-1.0	-52.58	321.62	5.61	-46.97
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322775	0	36	-1.0	-48.01	311.09	6.26	-41.75
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322776	0	36	-1.0	-55.93	311.26	6.26	-49.67
CC1=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300008322777	0	36	-1.0	-50.14	320.53	6.38	-43.76
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322778	0	39	-1.0	-52.33	317.93	6.83	-45.50
O=C([O-])C1=CCCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300008322779	0	42	-1.0	-56.42	339.25	1.87	-54.55
CCOC1=CC=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322780	0	37	-1.0	-56.59	317.46	5.10	-51.49
COCCN1C=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=N1	REAL300008322781	0	37	-1.0	-55.87	325.83	2.49	-53.38
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300008322782	0	37	-1.0	-59.16	329.94	5.42	-53.74
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1C	REAL300008322783	0	57	-1.0	-49.89	453.43	9.49	-40.40
O=C([O-])C1=CCCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300008322784	0	38	-1.0	-58.87	339.05	7.07	-51.80
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300008322785	0	35	-1.0	-57.47	306.78	5.26	-52.21
O=C([O-])C1=CCCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300008322786	0	33	-1.0	-57.13	310.67	6.24	-50.89
O=C([O-])C1=CCCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300008322787	0	33	-1.0	-57.14	305.96	6.18	-50.96
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300008322788	0	37	-1.0	-73.69	330.68	2.74	-70.95
CC1=CC(Br)=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322789	0	33	-1.0	-52.82	308.78	6.14	-46.68
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322790	0	33	-1.0	-51.34	289.53	5.70	-45.64
COCC1=CC=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322791	0	37	-1.0	-50.33	311.41	4.87	-45.46
COC1=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=CC=C1Br	REAL300008322792	0	34	-1.0	-50.48	316.01	4.83	-45.65
COC1=CC(OC)=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1Cl	REAL300008322793	0	38	-1.0	-49.38	334.76	4.62	-44.76
O=C([O-])C1=CCCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300008322794	0	33	-1.0	-53.59	310.03	3.94	-49.65
O=C([O-])C1=CCCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300008322795	0	33	-1.0	-59.14	304.01	3.77	-55.37
CC1(C)CC2=CC(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)=CC=C2O1	REAL300008322796	0	41	-1.0	-52.66	343.46	6.11	-46.55
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300008322797	0	33	-1.0	-61.75	303.39	3.96	-57.79
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322798	0	41	-1.0	-58.08	342.78	3.56	-54.52
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322799	0	42	-1.0	-58.75	369.25	4.11	-54.64
CSC1=CC=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322800	0	34	-1.0	-53.50	290.95	5.44	-48.06
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1F	REAL300008322801	0	38	-1.0	-53.33	345.06	1.65	-51.68
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322802	0	44	-1.0	-56.38	384.74	2.68	-53.70
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322803	0	41	-1.0	-63.55	349.20	4.62	-58.93
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1F	REAL300008322804	0	41	-1.0	-52.54	366.52	2.53	-50.01
CCC1=CC=C(CS(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322805	0	39	-1.0	-56.14	332.22	7.06	-49.08
O=C([O-])C1=CCCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300008322806	0	33	-1.0	-54.17	301.05	5.49	-48.68
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300008322807	0	45	-1.0	-58.38	379.84	5.31	-53.07
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300008322808	0	42	-1.0	-52.58	356.17	4.54	-48.04
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322809	0	39	-1.0	-65.78	348.28	3.30	-62.48
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322810	0	40	-1.0	-66.13	350.42	2.25	-63.88
CC1=CC=C(CS(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1C	REAL300008322811	0	39	-1.0	-56.65	327.79	6.83	-49.82
CCOC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1Br	REAL300008322812	0	37	-1.0	-49.35	337.88	5.77	-43.58
COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300008322813	0	44	-1.0	-52.56	374.27	7.94	-44.62
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300008322814	0	34	-1.0	-55.02	316.21	5.52	-49.50
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)C1	REAL300008322815	0	36	-1.0	-54.55	346.05	3.01	-51.54
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322816	0	37	-1.0	-56.90	335.42	5.47	-51.43
CC1(C)CN(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)CCO1	REAL300008322817	0	39	-1.0	-50.04	312.30	3.08	-46.96
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)C=C2S1	REAL300008322818	0	44	-1.0	-53.16	379.07	6.82	-46.34
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322819	0	37	-1.0	-49.32	328.74	5.91	-43.41
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)=CC=C21	REAL300008322820	0	42	-1.0	-53.75	356.83	6.42	-47.33
CCS(=O)(=O)NCCS(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322821	0	37	-1.0	-63.97	329.47	-0.36	-64.33
CC1=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300008322822	0	36	-1.0	-52.27	322.88	5.99	-46.28
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300008322823	0	33	-1.0	-52.43	321.75	6.81	-45.62
CC1=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300008322824	0	36	-1.0	-50.83	329.81	7.68	-43.15
O=C([O-])C1=CCCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300008322825	0	33	-1.0	-49.58	310.05	6.40	-43.18
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300008322826	0	36	-1.0	-52.17	313.96	7.24	-44.93
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300008322827	0	36	-1.0	-55.30	326.57	6.66	-48.64
O=C([O-])C1=CCCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300008322828	0	41	-1.0	-57.25	346.72	6.23	-51.02
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300008322829	0	44	-1.0	-55.19	376.55	8.30	-46.89
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322830	0	43	-1.0	-60.70	372.12	6.43	-54.27
O=C([O-])C1=CCCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300008322831	0	41	-1.0	-62.46	365.61	1.96	-60.50
CC1=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300008322832	0	39	-1.0	-52.39	333.37	7.80	-44.59
CC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1N(C)C	REAL300008322833	0	41	-1.0	-53.43	340.72	5.53	-47.90
O=C([O-])C1=CCCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300008322834	0	36	-1.0	-56.93	328.07	6.88	-50.05
O=C([O-])C1=CCCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300008322835	0	35	-1.0	-57.95	302.59	1.82	-56.13
O=C([O-])C1=CCCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300008322836	0	43	-1.0	-53.67	350.31	5.36	-48.31
COC1=CC(C)=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1Cl	REAL300008322837	0	37	-1.0	-47.43	317.41	5.07	-42.36
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322838	0	39	-1.0	-63.31	350.04	3.14	-60.17
CSC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1Cl	REAL300008322839	0	34	-1.0	-49.26	321.30	6.35	-42.91
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322840	0	42	-1.0	-50.48	336.74	5.29	-45.19
O=C([O-])C1=CCCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300008322841	0	38	-1.0	-56.95	337.22	3.44	-53.51
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)C=C12	REAL300008322842	0	37	-1.0	-50.88	327.31	2.58	-48.30
O=C([O-])C1=CCCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300008322843	0	41	-1.0	-52.44	362.60	4.69	-47.75
CN1N=CC2=CC(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)=CN=C21	REAL300008322844	0	35	-1.0	-56.24	310.43	4.00	-52.24
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300008322845	0	36	-1.0	-52.34	333.31	7.75	-44.59
CCC1=CC(CC)=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C(CC)=C1	REAL300008322846	0	48	-1.0	-52.02	362.61	8.84	-43.18
O=C([O-])C1=CCCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300008322847	0	37	-1.0	-53.79	311.85	4.91	-48.88
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300008322848	0	36	-1.0	-50.32	334.68	2.95	-47.37
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300008322849	0	39	-1.0	-61.22	328.43	8.62	-52.60
COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C(C)=C1F	REAL300008322850	0	37	-1.0	-53.13	306.78	4.56	-48.57
CC1(CS(=O)(=O)N2CCC=C(C(=O)[O-])C2)CCCCC1	REAL300008322851	0	42	-1.0	-50.88	315.95	6.40	-44.48
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300008322852	0	39	-1.0	-54.15	327.53	6.32	-47.83
O=C([O-])C1=CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300008322854	0	38	-1.0	-54.12	335.05	6.18	-47.94
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322855	0	37	-1.0	-52.76	337.91	5.11	-47.65
CC1=CC=C(CS(=O)(=O)N2CCC=C(C(=O)[O-])C2)C(F)=C1	REAL300008322856	0	36	-1.0	-55.57	316.05	6.33	-49.24
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300008322858	0	30	-1.0	-51.78	298.68	5.06	-46.72
O=C([O-])C1=CCCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300008322859	0	43	-1.0	-56.32	354.33	8.21	-48.11
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC=C(C(=O)[O-])C2)=NO1	REAL300008322860	0	41	-1.0	-55.75	347.45	5.64	-50.11
O=C([O-])C1=CCCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300008322861	0	39	-1.0	-65.70	326.71	2.08	-63.62
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300008322862	0	33	-1.0	-51.62	301.78	5.37	-46.25
CC1=C(CCS(=O)(=O)N2CCC=C(C(=O)[O-])C2)SC=N1	REAL300008322863	0	35	-1.0	-55.78	314.80	4.14	-51.64
COC1=CC=C2C=C(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)CCC2=C1	REAL300008322864	0	42	-1.0	-55.19	349.53	6.60	-48.59
O=C([O-])C1=CCCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300008322865	0	43	-1.0	-54.87	322.98	6.92	-47.95
CC(C)(CCS(=O)(=O)N1CCC=C(C(=O)[O-])C1)S(C)(=O)=O	REAL300008322866	0	41	-1.0	-61.75	338.86	2.01	-59.74
O=C([O-])C1=CCCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300008322867	0	39	-1.0	-52.22	319.16	6.04	-46.18
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)C=C12	REAL300008322868	0	45	-1.0	-59.50	389.50	8.12	-51.38
O=C([O-])C1=CCCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300008322869	0	37	-1.0	-50.75	316.83	7.01	-43.74
CCC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008322870	0	38	-1.0	-61.73	328.49	6.70	-55.03
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300008322871	0	30	-1.0	-51.63	282.32	5.41	-46.22
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300008322872	0	30	-1.0	-51.53	286.88	5.50	-46.03
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300008322873	0	32	-1.0	-52.22	293.81	5.56	-46.66
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300008322874	0	36	-1.0	-54.08	312.06	7.16	-46.92
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300008322875	0	32	-1.0	-60.74	294.32	5.55	-55.19
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322876	0	35	-1.0	-60.49	307.87	6.30	-54.19
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300008322877	0	32	-1.0	-56.68	283.15	6.43	-50.25
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322878	0	37	-1.0	-47.24	325.35	6.06	-41.18
CCOC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322879	0	37	-1.0	-53.21	316.94	5.11	-48.10
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1C	REAL300008322880	0	42	-1.0	-53.33	323.53	7.35	-45.98
CC1=CC(C)=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C(C)=C1	REAL300008322881	0	39	-1.0	-52.93	310.03	6.96	-45.97
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322882	0	45	-1.0	-55.41	348.41	7.56	-47.85
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300008322883	0	33	-1.0	-55.11	305.18	5.89	-49.22
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300008322884	0	33	-1.0	-51.85	291.19	6.15	-45.70
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300008322885	0	30	-1.0	-51.46	282.32	5.41	-46.05
CC(=O)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322886	0	35	-1.0	-58.36	306.82	5.32	-53.04
COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008322887	0	36	-1.0	-63.24	321.61	5.62	-57.62
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322888	0	42	-1.0	-52.06	342.28	7.18	-44.88
CC(C)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322889	0	39	-1.0	-53.34	325.81	6.82	-46.52
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322890	0	41	-1.0	-56.63	361.19	2.89	-53.74
CCCC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322891	0	39	-1.0	-53.47	329.98	7.11	-46.36
COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1Br	REAL300008322892	0	34	-1.0	-49.67	316.00	4.84	-44.83
CC1=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=CC=C1Br	REAL300008322893	0	33	-1.0	-50.21	305.60	6.06	-44.15
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)C=C2)=C1	REAL300008322894	0	44	-1.0	-53.45	375.73	8.42	-45.03
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300008322895	0	34	-1.0	-52.19	311.59	4.68	-47.51
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C(C)=C1C	REAL300008322896	0	45	-1.0	-52.18	334.35	7.74	-44.44
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300008322897	0	39	-1.0	-51.41	328.94	4.82	-46.59
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322898	0	46	-1.0	-56.71	365.91	7.05	-49.66
CN1C=C(Br)C2=CC=C(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)C=C21	REAL300008322899	0	37	-1.0	-52.54	341.55	7.27	-45.27
CC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300008322900	0	35	-1.0	-61.43	310.31	6.07	-55.36
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322901	0	34	-1.0	-55.82	311.02	5.35	-50.47
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322902	0	48	-1.0	-52.42	364.83	8.61	-43.81
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300008322903	0	33	-1.0	-51.61	304.32	5.89	-45.72
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300008322904	0	40	-1.0	-53.75	328.31	7.38	-46.37
COC1=CC=C(OC)C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322905	0	38	-1.0	-51.93	318.70	4.02	-47.91
COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1OC	REAL300008322906	0	38	-1.0	-52.59	324.82	4.08	-48.51
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300008322907	0	37	-1.0	-53.59	311.66	6.78	-46.81
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300008322908	0	38	-1.0	-54.00	320.08	7.30	-46.70
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300008322909	0	35	-1.0	-53.21	302.00	4.71	-48.50
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322910	0	45	-1.0	-53.50	369.05	8.40	-45.10
CCOC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1OCC	REAL300008322911	0	44	-1.0	-52.18	368.54	5.92	-46.26
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322912	0	35	-1.0	-58.42	319.83	-0.16	-58.58
CC1=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300008322913	0	38	-1.0	-48.74	327.15	6.58	-42.16
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1C	REAL300008322914	0	38	-1.0	-45.98	316.97	6.39	-39.59
CC1=CC2=CC=CC(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)=C2N=C1	REAL300008322915	0	38	-1.0	-59.98	322.34	6.54	-53.44
COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300008322916	0	36	-1.0	-52.69	312.56	5.74	-46.95
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322917	0	34	-1.0	-49.92	306.00	5.26	-44.66
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322918	0	35	-1.0	-63.98	320.30	-0.16	-64.14
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300008322919	0	42	-1.0	-62.71	374.61	2.74	-59.97
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322920	0	38	-1.0	-55.41	334.43	6.37	-49.04
O=C([O-])C1=CCCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300008322921	0	39	-1.0	-53.26	322.31	6.20	-47.06
CC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C2=CC=CN=C12	REAL300008322922	0	38	-1.0	-54.45	312.31	5.67	-48.78
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1C	REAL300008322923	0	38	-1.0	-57.34	320.40	7.72	-49.62
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322924	0	41	-1.0	-56.23	360.35	2.93	-53.30
O=C([O-])C1=CCCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300008322925	0	42	-1.0	-54.24	351.95	4.21	-50.03
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322926	0	36	-1.0	-59.55	326.30	2.42	-57.13
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300008322927	0	40	-1.0	-53.98	333.07	8.62	-45.36
CC1CC(C)CN(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C1	REAL300008322928	0	41	-1.0	-52.08	325.91	5.24	-46.84
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300008322929	0	36	-1.0	-54.08	297.15	6.71	-47.37
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300008322930	0	40	-1.0	-54.76	339.76	8.30	-46.46
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)C=CC=C12	REAL300008322931	0	44	-1.0	-52.97	350.53	6.58	-46.39
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300008322932	0	31	-1.0	-59.00	287.89	3.30	-55.70
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322933	0	34	-1.0	-55.88	306.45	5.25	-50.63
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322934	0	45	-1.0	-53.16	356.02	7.68	-45.48
CC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1Cl	REAL300008322935	0	33	-1.0	-53.74	301.57	5.98	-47.76
CC(C)OC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322936	0	40	-1.0	-54.00	334.86	5.74	-48.26
O=C([O-])C1=CCCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300008322937	0	33	-1.0	-57.14	306.10	6.14	-51.00
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300008322938	0	31	-1.0	-64.34	280.40	3.67	-60.67
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300008322939	0	35	-1.0	-49.74	321.91	7.44	-42.30
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300008322940	0	35	-1.0	-59.58	301.01	5.89	-53.69
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300008322941	0	41	-1.0	-55.57	371.09	8.29	-47.28
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322942	0	36	-1.0	-50.06	317.49	5.41	-44.65
COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1F	REAL300008322943	0	34	-1.0	-50.01	301.81	4.25	-45.76
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300008322944	0	41	-1.0	-52.68	372.71	8.33	-44.35
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)C=C2)C=C1	REAL300008322945	0	45	-1.0	-53.99	385.48	7.11	-46.88
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C(C(C)C)=C1	REAL300008322946	0	57	-1.0	-52.88	423.03	10.68	-42.20
CC(C)OC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C2=CC=CC=C12	REAL300008322947	0	46	-1.0	-56.13	369.31	7.78	-48.35
O=C([O-])C1=CCCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300008322948	0	33	-1.0	-56.69	321.24	6.59	-50.10
COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C2=CC=CC=C12	REAL300008322949	0	40	-1.0	-54.45	325.38	6.08	-48.37
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322950	0	35	-1.0	-48.61	300.25	5.90	-42.71
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322951	0	35	-1.0	-58.95	295.47	5.74	-53.21
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322952	0	38	-1.0	-55.16	327.19	7.44	-47.72
CC(C)CC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322953	0	42	-1.0	-53.53	346.74	7.57	-45.96
COCCC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322954	0	40	-1.0	-53.91	342.16	5.40	-48.51
COCCN(CCOC)S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322955	0	42	-1.0	-52.24	344.14	2.18	-50.06
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322956	0	33	-1.0	-52.52	296.36	6.14	-46.38
COC1=C(C)C=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1C	REAL300008322957	0	40	-1.0	-52.66	339.66	5.76	-46.90
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322958	0	46	-1.0	-53.59	377.50	7.21	-46.38
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300008322959	0	44	-1.0	-52.82	360.55	7.09	-45.73
CC(C)COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322960	0	43	-1.0	-53.73	358.53	6.60	-47.13
CCCOC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322961	0	40	-1.0	-53.69	338.43	5.90	-47.79
COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1Cl	REAL300008322962	0	34	-1.0	-49.71	311.62	4.73	-44.98
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300008322963	0	34	-1.0	-52.16	321.40	5.00	-47.16
COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1C	REAL300008322964	0	37	-1.0	-51.95	315.66	4.92	-47.03
CC1=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300008322965	0	43	-1.0	-51.85	355.43	6.46	-45.39
COC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C(C)=C1	REAL300008322966	0	37	-1.0	-51.39	301.49	4.53	-46.86
COCCOC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322967	0	41	-1.0	-56.38	350.56	4.37	-52.01
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322968	0	33	-1.0	-47.99	293.32	5.85	-42.14
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1C	REAL300008322969	0	38	-1.0	-50.98	306.81	7.33	-43.65
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322970	0	39	-1.0	-67.83	340.38	3.16	-64.67
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300008322971	0	42	-1.0	-56.25	375.09	2.71	-53.54
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322972	0	38	-1.0	-57.02	342.20	1.06	-55.96
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322973	0	38	-1.0	-52.23	323.77	2.94	-49.29
CC1=NC(C)=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)S1	REAL300008322974	0	32	-1.0	-53.44	293.38	3.36	-50.08
O=C([O-])C1=CCCN(S(=O)(=O)C2=CSC3=CC=CC=C32)C1	REAL300008322975	0	33	-1.0	-52.14	293.15	5.88	-46.26
COC1=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=CC=C1F	REAL300008322976	0	34	-1.0	-50.72	301.82	4.24	-46.48
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300008322977	0	40	-1.0	-56.82	340.30	8.29	-48.53
O=C([O-])C1=CCCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300008322978	0	33	-1.0	-54.87	322.84	6.64	-48.23
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC=C(C(=O)[O-])C3)S2)=CS1	REAL300008322979	0	36	-1.0	-54.46	345.04	5.46	-49.00
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300008322980	0	50	-1.0	-53.69	400.16	8.51	-45.18
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322981	0	38	-1.0	-58.66	322.34	6.55	-52.11
CNC(=O)C1=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=CN1C	REAL300008322982	0	38	-1.0	-55.55	330.05	2.53	-53.02
COC1=CC(C)=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C(C)=C1	REAL300008322983	0	40	-1.0	-52.44	318.02	5.58	-46.86
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300008322984	0	41	-1.0	-54.22	350.29	8.99	-45.23
COC1=CC(C)=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1C	REAL300008322985	0	40	-1.0	-49.73	321.48	5.25	-44.48
CC1=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300008322986	0	38	-1.0	-55.08	309.33	5.94	-49.14
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300008322987	0	35	-1.0	-53.64	292.22	4.93	-48.71
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC=C(C(=O)[O-])C1)=C2	REAL300008322988	0	43	-1.0	-59.46	365.93	8.70	-50.76
CCN1C=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300008322989	0	35	-1.0	-52.38	317.85	5.60	-46.78
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300008322990	0	37	-1.0	-55.98	336.51	5.58	-50.40
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300008322991	0	44	-1.0	-54.23	376.84	8.18	-46.05
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)=C1	REAL300008322992	0	38	-1.0	-65.19	329.20	6.14	-59.05
O=C([O-])C1=CCCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300008322993	0	40	-1.0	-51.91	352.05	6.44	-45.47
O=C([O-])C1=CCCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300008322994	0	33	-1.0	-64.17	293.79	4.10	-60.07
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322995	0	52	-1.0	-52.11	404.56	7.83	-44.28
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C=C1	REAL300008322996	0	38	-1.0	-62.48	342.83	1.51	-60.97
CCOC1=CC=C(S(=O)(=O)N2CCC=C(C(=O)[O-])C2)C2=CC=CC=C12	REAL300008322997	0	43	-1.0	-54.20	347.29	7.00	-47.20
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC=C(C(=O)[O-])C1	REAL300008322998	0	40	-1.0	-56.21	333.00	6.32	-49.89
O=C([O-])C1=CCCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300008322999	0	35	-1.0	-55.88	314.39	5.06	-50.82
O=C([O-])C1=CCCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300008323000	0	37	-1.0	-57.13	326.64	5.99	-51.14
COC1=CC=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363341	0	33	-1.0	-48.73	276.34	3.79	-44.94
CC1=C(Br)C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008363342	0	34	-1.0	-49.11	321.16	5.25	-43.86
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363343	0	40	-1.0	-49.45	326.75	4.35	-45.10
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300008363344	0	40	-1.0	-46.93	350.37	0.23	-46.70
O=C([O-])CC1(NS(=O)(=O)N2CCC3(CCCCC3)CC2)CC1	REAL300008363345	0	47	-1.0	-43.69	344.87	5.38	-38.31
CC1=NC2=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=CC=C2C=C1	REAL300008363346	0	37	-1.0	-53.58	299.50	5.40	-48.18
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300008363347	0	37	-1.0	-63.64	323.54	5.50	-58.14
O=C([O-])CC1(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)CC1	REAL300008363348	0	40	-1.0	-54.44	336.70	2.17	-52.27
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363349	0	43	-1.0	-48.43	376.87	5.36	-43.07
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363350	0	43	-1.0	-61.49	374.80	4.93	-56.56
COCCOCCOCCS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363351	0	43	-1.0	-49.84	365.59	0.75	-49.09
CC(COC1CCCC1)CS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363352	0	45	-1.0	-41.05	357.93	4.80	-36.25
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)CC1	REAL300008363353	0	44	-1.0	-48.14	376.37	5.56	-42.58
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363354	0	36	-1.0	-52.70	330.17	4.01	-48.69
O=C([O-])CC1(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)CC1	REAL300008363355	0	37	-1.0	-53.48	317.64	1.38	-52.10
COC1=CC(Br)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363356	0	33	-1.0	-52.86	312.40	3.62	-49.24
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CC1	REAL300008363357	0	33	-1.0	-48.06	284.89	4.02	-44.04
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300008363358	0	35	-1.0	-45.38	313.12	4.25	-41.13
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363359	0	35	-1.0	-50.53	315.22	5.37	-45.16
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363360	0	35	-1.0	-54.93	311.67	5.45	-49.48
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300008363361	0	35	-1.0	-43.00	312.03	5.01	-37.99
O=C([O-])CC1(NS(=O)(=O)CCCN2CCOCC2)CC1	REAL300008363362	0	41	-1.0	-59.37	332.12	0.57	-58.80
COCCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300008363363	0	36	-1.0	-54.75	321.06	1.29	-53.46
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CC1	REAL300008363364	0	36	-1.0	-49.67	322.96	3.88	-45.79
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1C	REAL300008363365	0	56	-1.0	-53.96	449.55	8.23	-45.73
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300008363366	0	43	-1.0	-47.83	378.33	1.75	-46.08
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300008363367	0	37	-1.0	-43.98	330.59	5.61	-38.37
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)CC1	REAL300008363368	0	34	-1.0	-51.26	299.80	3.69	-47.57
O=C([O-])CC1(NS(=O)(=O)CC2=CC=CC(Br)=C2)CC1	REAL300008363369	0	32	-1.0	-59.09	303.27	4.94	-54.15
O=C([O-])CC1(NS(=O)(=O)CC2=CC=CC=C2Br)CC1	REAL300008363370	0	32	-1.0	-46.67	297.57	4.71	-41.96
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CC1	REAL300008363371	0	36	-1.0	-56.63	322.18	1.37	-55.26
CC1=CC(Br)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363372	0	32	-1.0	-52.43	304.31	4.99	-47.44
CC1=C(Br)C=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363373	0	32	-1.0	-51.33	293.12	4.77	-46.56
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Br	REAL300008363374	0	33	-1.0	-43.99	307.51	3.48	-40.51
COC1=CC(OC)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300008363375	0	37	-1.0	-47.79	327.79	3.43	-44.36
O=C([O-])CC1(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CC1	REAL300008363376	0	32	-1.0	-55.20	304.72	2.72	-52.48
O=C([O-])CC1(NS(=O)(=O)C2=CN(CC(F)F)N=C2)CC1	REAL300008363377	0	32	-1.0	-56.05	300.37	2.53	-53.52
CC1(C)CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C2O1	REAL300008363378	0	40	-1.0	-54.05	339.03	4.96	-49.09
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CC1	REAL300008363379	0	32	-1.0	-45.36	284.23	2.48	-42.88
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363380	0	40	-1.0	-63.44	319.46	1.64	-61.80
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1I	REAL300008363381	0	32	-1.0	-45.47	302.95	5.14	-40.33
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363382	0	41	-1.0	-54.03	362.28	2.55	-51.48
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363383	0	46	-1.0	-61.67	386.41	2.92	-58.75
CSC1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363384	0	33	-1.0	-60.24	276.84	4.17	-56.07
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363385	0	46	-1.0	-49.10	401.50	1.84	-47.26
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300008363386	0	37	-1.0	-48.73	336.80	0.10	-48.63
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)S1	REAL300008363387	0	43	-1.0	-62.15	391.44	1.24	-60.91
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(OC)=C1	REAL300008363388	0	44	-1.0	-47.37	375.92	1.66	-45.71
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(F)=C1	REAL300008363389	0	43	-1.0	-61.97	370.24	1.90	-60.07
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363390	0	43	-1.0	-50.16	377.76	1.13	-49.03
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363391	0	40	-1.0	-71.72	338.06	3.76	-67.96
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300008363392	0	43	-1.0	-47.76	379.77	1.79	-45.97
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)CC1	REAL300008363393	0	44	-1.0	-50.78	348.54	3.97	-46.81
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300008363394	0	40	-1.0	-47.99	358.28	0.99	-47.00
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CC1	REAL300008363395	0	44	-1.0	-49.10	372.35	3.77	-45.33
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CC1	REAL300008363396	0	41	-1.0	-58.59	349.31	3.85	-54.74
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363397	0	38	-1.0	-45.14	340.77	1.74	-43.40
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363398	0	39	-1.0	-60.62	335.48	1.02	-59.60
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Br	REAL300008363399	0	36	-1.0	-43.52	329.31	4.40	-39.12
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300008363400	0	43	-1.0	-47.39	366.84	6.40	-40.99
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CC1	REAL300008363401	0	33	-1.0	-47.64	295.21	4.47	-43.17
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)CC1	REAL300008363402	0	35	-1.0	-44.07	339.08	1.46	-42.61
COC1=CC=C(Br)C(CS(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363403	0	36	-1.0	-58.80	329.37	4.14	-54.66
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2S1	REAL300008363404	0	43	-1.0	-53.32	369.46	5.52	-47.80
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363405	0	36	-1.0	-46.27	321.65	4.75	-41.52
CC(C)N1N=CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C21	REAL300008363406	0	41	-1.0	-55.05	347.18	5.10	-49.95
CCS(=O)(=O)NCCS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363407	0	36	-1.0	-49.76	320.96	-1.81	-51.57
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300008363408	0	35	-1.0	-47.36	308.14	5.06	-42.30
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CC1	REAL300008363409	0	32	-1.0	-43.99	313.49	5.30	-38.69
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC(Cl)=CC=C2S1	REAL300008363410	0	35	-1.0	-54.49	328.07	6.38	-48.11
O=C([O-])CC1(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CC1	REAL300008363411	0	32	-1.0	-44.21	295.46	5.18	-39.03
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CC1	REAL300008363412	0	35	-1.0	-59.35	317.49	6.50	-52.85
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CC1	REAL300008363413	0	35	-1.0	-43.01	319.59	5.12	-37.89
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)CC1	REAL300008363414	0	40	-1.0	-46.03	338.27	4.78	-41.25
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CC1	REAL300008363415	0	43	-1.0	-56.98	375.45	6.76	-50.22
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363416	0	42	-1.0	-51.16	365.14	4.87	-46.29
O=C([O-])CC1(NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)CC1	REAL300008363417	0	40	-1.0	-47.88	357.11	0.50	-47.38
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CC(C)=C2S1	REAL300008363418	0	38	-1.0	-53.54	331.46	6.49	-47.05
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1N(C)C	REAL300008363419	0	40	-1.0	-45.68	333.50	4.00	-41.68
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=CC=C2Br)CC1	REAL300008363420	0	35	-1.0	-57.80	319.84	5.54	-52.26
O=C([O-])CC1(NS(=O)(=O)C2=C3OCCCN3N=C2)CC1	REAL300008363421	0	34	-1.0	-51.55	288.99	0.39	-51.16
O=C([O-])CC1(NS(=O)(=O)CCOCC2CCCC2)CC1	REAL300008363422	0	42	-1.0	-54.82	343.18	4.06	-50.76
COC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300008363423	0	36	-1.0	-54.84	318.39	4.28	-50.56
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363424	0	38	-1.0	-71.94	342.68	1.84	-70.10
CSC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300008363425	0	33	-1.0	-42.93	313.75	4.79	-38.14
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363426	0	41	-1.0	-53.32	334.16	4.04	-49.28
O=C([O-])CC1(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CC1	REAL300008363427	0	37	-1.0	-50.54	332.77	2.27	-48.27
CCC1=NOC2=NC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C12	REAL300008363428	0	36	-1.0	-50.01	319.87	1.04	-48.97
O=C([O-])CC1(NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)CC1	REAL300008363429	0	40	-1.0	-51.81	358.18	3.53	-48.28
CN1N=CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CN=C21	REAL300008363430	0	34	-1.0	-53.65	305.96	2.83	-50.82
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)CC1	REAL300008363431	0	35	-1.0	-44.60	325.53	6.02	-38.58
CCC1=CC(CC)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(CC)=C1	REAL300008363432	0	47	-1.0	-53.35	356.92	8.21	-45.14
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363433	1	44	-1.0	-53.55	369.85	1.03	-52.52
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CC1	REAL300008363434	0	35	-1.0	-44.02	326.19	1.59	-42.43
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CC1	REAL300008363435	0	38	-1.0	-62.77	318.10	6.85	-55.92
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1F	REAL300008363436	0	36	-1.0	-51.90	309.69	3.60	-48.30
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)CC1	REAL300008363437	0	38	-1.0	-45.09	316.35	4.62	-40.47
O=C([O-])CC1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CC1	REAL300008363439	0	37	-1.0	-48.77	328.09	4.49	-44.28
COCC1=CC(Cl)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363440	0	36	-1.0	-53.84	333.41	3.93	-49.91
CC1=CC=C(CS(=O)(=O)NC2(CC(=O)[O-])CC2)C(F)=C1	REAL300008363441	0	35	-1.0	-48.83	307.60	4.86	-43.97
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)CC1	REAL300008363443	0	29	-1.0	-51.01	288.67	3.80	-47.21
O=C([O-])CC1(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)CC1	REAL300008363444	0	42	-1.0	-59.33	347.19	6.88	-52.45
CC(C)(C)C1=CC(CS(=O)(=O)NC2(CC(=O)[O-])CC2)=NO1	REAL300008363445	0	40	-1.0	-45.45	339.00	4.17	-41.28
O=C([O-])CC1(NS(=O)(=O)CC2CCCS(=O)(=O)C2)CC1	REAL300008363446	0	38	-1.0	-48.38	318.44	0.62	-47.76
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300008363447	0	32	-1.0	-45.03	294.17	4.32	-40.71
CC1=C(CCS(=O)(=O)NC2(CC(=O)[O-])CC2)SC=N1	REAL300008363448	0	34	-1.0	-57.10	307.67	2.83	-54.27
COC1=CC=C2C=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)CCC2=C1	REAL300008363449	0	41	-1.0	-47.31	341.57	4.96	-42.35
O=C([O-])CC1(NS(=O)(=O)CC23CCC(CC2)CC3)CC1	REAL300008363450	0	42	-1.0	-43.99	314.35	5.60	-38.39
CC(C)(CCS(=O)(=O)NC1(CC(=O)[O-])CC1)S(C)(=O)=O	REAL300008363451	0	40	-1.0	-59.08	330.34	0.55	-58.53
O=C([O-])CC1(NS(=O)(=O)CC2CCCCC2(F)F)CC1	REAL300008363452	0	38	-1.0	-44.68	306.95	4.65	-40.03
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C12	REAL300008363453	0	44	-1.0	-50.81	380.96	6.69	-44.12
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C12	REAL300008363454	0	48	-1.0	-47.91	399.05	4.21	-43.70
CCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008363455	0	37	-1.0	-51.51	319.97	5.30	-46.21
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Br)C=C2)CC1	REAL300008363456	0	29	-1.0	-41.61	279.90	3.96	-37.65
O=C([O-])CC1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300008363457	0	31	-1.0	-41.94	286.78	4.00	-37.94
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC1	REAL300008363458	0	35	-1.0	-47.79	304.52	5.61	-42.18
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300008363459	0	31	-1.0	-41.51	286.84	3.99	-37.52
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363460	0	34	-1.0	-57.53	301.15	5.12	-52.41
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300008363461	0	31	-1.0	-65.10	275.73	5.28	-59.82
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363462	0	36	-1.0	-47.24	326.21	5.58	-41.66
CC1=CC(C)=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1C	REAL300008363463	0	41	-1.0	-46.44	312.46	5.61	-40.83
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363464	0	44	-1.0	-56.05	349.11	6.76	-49.29
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300008363465	0	32	-1.0	-40.98	297.62	4.35	-36.63
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300008363466	0	32	-1.0	-55.22	271.68	5.04	-50.18
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008363467	0	35	-1.0	-50.91	314.12	4.08	-46.83
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363468	0	41	-1.0	-56.64	335.84	6.31	-50.33
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363469	0	46	-1.0	-50.97	395.37	3.05	-47.92
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363470	0	40	-1.0	-50.59	354.18	1.33	-49.26
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Br	REAL300008363471	0	33	-1.0	-43.17	308.46	3.29	-39.88
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)CC1	REAL300008363472	0	35	-1.0	-49.64	339.41	5.72	-43.92
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Br	REAL300008363473	0	32	-1.0	-43.45	297.10	4.69	-38.76
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2)=C1	REAL300008363474	0	43	-1.0	-47.71	369.99	6.91	-40.80
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300008363475	0	33	-1.0	-53.58	305.64	3.79	-49.79
CC1=C(C)C(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1C	REAL300008363476	0	44	-1.0	-52.80	326.59	6.19	-46.61
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)CC1	REAL300008363477	0	38	-1.0	-48.51	321.44	3.29	-45.22
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363478	0	45	-1.0	-50.19	345.86	6.04	-44.15
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C21	REAL300008363479	0	36	-1.0	-55.75	331.89	5.95	-49.80
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008363480	0	34	-1.0	-51.55	302.16	4.71	-46.84
COC1=CC=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363481	0	33	-1.0	-47.91	291.18	4.35	-43.56
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363482	0	47	-1.0	-54.12	352.88	7.32	-46.80
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300008363483	0	32	-1.0	-41.42	297.35	4.34	-37.08
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3CCCCC3=C2)CC1	REAL300008363484	0	39	-1.0	-46.30	320.81	5.77	-40.53
COC1=CC=C(OC)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363485	0	37	-1.0	-51.69	299.23	3.01	-48.68
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1OC	REAL300008363486	0	37	-1.0	-46.84	317.33	2.53	-44.31
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)CC1	REAL300008363487	0	37	-1.0	-46.26	312.15	5.66	-40.60
CC(C)CCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363488	0	44	-1.0	-43.88	362.06	6.84	-37.04
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1OCC	REAL300008363489	0	43	-1.0	-47.00	360.05	4.56	-42.44
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363490	0	34	-1.0	-50.76	312.80	-1.71	-52.47
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300008363491	0	37	-1.0	-49.87	321.99	5.31	-44.56
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1C	REAL300008363492	0	37	-1.0	-57.16	319.87	5.75	-51.41
CC1=CC2=CC=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=C2N=C1	REAL300008363493	0	37	-1.0	-52.91	302.06	5.56	-47.35
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300008363494	0	35	-1.0	-58.81	306.47	4.34	-54.47
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COC1=CC=C(OC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2)C=C1	REAL300008363521	0	44	-1.0	-46.94	378.00	5.49	-41.45
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CC(C)OC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300008363523	0	45	-1.0	-46.62	361.79	6.74	-39.88
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COCCN(CCOC)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363532	0	41	-1.0	-46.74	324.83	0.82	-45.92
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COC1=C(C)C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300008363534	0	39	-1.0	-53.28	335.16	4.60	-48.68
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CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1OC(C)C	REAL300008363541	0	42	-1.0	-45.92	347.40	5.05	-40.87
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CC1=CC(Br)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363543	0	32	-1.0	-50.83	297.45	4.98	-45.85
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1C	REAL300008363544	0	37	-1.0	-59.00	295.44	6.07	-52.93
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363545	0	38	-1.0	-62.88	333.64	1.97	-60.91
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CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363547	0	37	-1.0	-50.80	335.22	-0.50	-51.30
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363548	0	37	-1.0	-57.62	316.70	2.21	-55.41
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COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1F	REAL300008363550	0	33	-1.0	-44.28	293.32	2.88	-41.40
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CC1=NC(C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)S2)=CS1	REAL300008363553	0	35	-1.0	-54.58	335.55	4.18	-50.40
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CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363555	0	37	-1.0	-50.49	320.56	4.69	-45.80
CNC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CN1C	REAL300008363556	0	37	-1.0	-49.59	323.02	0.89	-48.70
COC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1	REAL300008363557	0	39	-1.0	-51.83	310.11	4.09	-47.74
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COC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300008363559	0	39	-1.0	-55.06	322.44	4.47	-50.59
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300008363560	0	37	-1.0	-48.98	306.32	4.54	-44.44
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CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC1(CC(=O)[O-])CC1)=C2	REAL300008363562	0	42	-1.0	-57.97	356.26	7.41	-50.56
CCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300008363563	0	34	-1.0	-56.70	303.04	4.41	-52.29
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CCC(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363566	0	37	-1.0	-46.98	321.64	4.60	-42.38
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CC(C)CCN(CCC(C)C)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363568	0	51	-1.0	-47.16	386.05	6.32	-40.84
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CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300008363571	0	42	-1.0	-56.36	350.89	6.26	-50.10
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363572	0	39	-1.0	-48.51	326.32	5.63	-42.88
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CCOCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363575	0	43	-1.0	-47.24	365.43	3.79	-43.45
CCCCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363576	0	45	-1.0	-45.02	374.44	5.92	-39.10
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CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1	REAL300008363583	0	39	-1.0	-53.09	326.72	4.65	-48.44
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363584	0	37	-1.0	-55.75	334.21	-0.32	-56.07
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CCN(CC1=CC=CC=C1)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363588	0	40	-1.0	-52.37	321.75	5.40	-46.97
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CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(F)(F)F	REAL300008363592	0	35	-1.0	-46.77	312.03	5.02	-41.75
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COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363596	0	36	-1.0	-59.36	327.09	4.20	-55.16
CC1(C)CC2=CC=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=C2O1	REAL300008363597	0	40	-1.0	-62.33	325.20	5.17	-57.16
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COC1=CC(OC)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Br	REAL300008363601	0	37	-1.0	-48.40	333.44	3.56	-44.84
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CC1CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C2O1	REAL300008363605	0	37	-1.0	-46.51	315.56	3.94	-42.57
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363606	0	41	-1.0	-53.74	316.14	6.93	-46.81
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363607	0	41	-1.0	-57.32	347.19	2.53	-54.79
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CC1=NC(C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2)=CO1	REAL300008363611	0	38	-1.0	-48.79	334.98	2.40	-46.39
CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300008363612	0	32	-1.0	-52.75	286.94	2.35	-50.40
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CC1=CC=C(N2C=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=N2)C=C1	REAL300008363614	0	39	-1.0	-48.77	340.95	5.05	-43.72
CC1CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC(Cl)=C2O1	REAL300008363615	0	37	-1.0	-43.90	332.34	4.43	-39.47
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300008363616	0	34	-1.0	-43.92	302.17	4.70	-39.22
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300008363617	0	40	-1.0	-56.84	347.76	4.34	-52.50
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CC1=CC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2C=C1	REAL300008363619	0	38	-1.0	-48.24	325.64	6.08	-42.16
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CN1CCCC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C21	REAL300008363622	0	41	-1.0	-50.29	331.95	4.06	-46.23
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CC1	REAL300008363623	0	31	-1.0	-45.44	293.08	2.82	-42.62
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363624	0	37	-1.0	-50.38	312.35	3.86	-46.52
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363625	0	37	-1.0	-48.75	306.66	5.47	-43.28
CC1=CC=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300008363626	0	37	-1.0	-55.81	312.83	6.31	-49.50
CC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008363627	0	37	-1.0	-54.69	311.70	5.61	-49.08
COC1=CC=C(CCS(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363628	0	39	-1.0	-45.06	331.88	4.24	-40.82
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)S1	REAL300008363629	0	38	-1.0	-55.69	331.55	5.15	-50.54
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(OC)=C1	REAL300008363630	0	37	-1.0	-56.35	320.60	2.31	-54.04
CC1=CC2=C(C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1)OCO2	REAL300008363631	0	35	-1.0	-54.90	300.92	3.07	-51.83
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Cl	REAL300008363632	0	33	-1.0	-43.95	303.13	3.37	-40.58
CN1C=NC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C21	REAL300008363633	0	35	-1.0	-61.04	304.73	4.91	-56.13
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300008363634	0	37	-1.0	-50.15	311.73	5.21	-44.94
CC1=NC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2O1	REAL300008363635	0	34	-1.0	-50.03	301.25	1.17	-48.86
CCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1CC	REAL300008363636	0	41	-1.0	-46.76	334.66	6.07	-40.69
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363637	0	37	-1.0	-47.78	308.91	5.47	-42.31
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363638	0	39	-1.0	-45.39	314.72	4.56	-40.83
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363639	0	30	-1.0	-49.75	282.28	1.20	-48.55
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CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(C)=C1F	REAL300008363641	0	35	-1.0	-51.44	308.55	5.03	-46.41
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CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Cl	REAL300008363647	0	32	-1.0	-43.38	293.07	4.60	-38.78
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CC1=CSC(C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2)=N1	REAL300008363649	0	38	-1.0	-47.92	344.82	4.79	-43.13
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O=C([O-])CC1(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)CC1	REAL300008363653	0	32	-1.0	-57.17	302.27	4.83	-52.34
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363654	0	54	-1.0	-44.99	438.94	8.26	-36.73
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363655	0	39	-1.0	-46.71	347.76	6.39	-40.32
CCC(C)OC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363656	0	42	-1.0	-45.70	348.25	5.13	-40.57
COC(CS(=O)(=O)NC1(CC(=O)[O-])CC1)C1CCCC1	REAL300008363657	0	42	-1.0	-45.75	331.77	3.53	-42.22
COC(CS(=O)(=O)NC1(CC(=O)[O-])CC1)C1CCCCC1	REAL300008363658	0	45	-1.0	-63.30	348.22	4.99	-58.31
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CCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(C)C	REAL300008363660	0	48	-1.0	-45.69	389.05	6.57	-39.12
CCC1=NC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CN1CC1CC1	REAL300008363661	0	42	-1.0	-60.59	359.97	5.64	-54.95
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CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300008363663	0	37	-1.0	-52.76	321.64	5.99	-46.77
O=C([O-])CC1(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CC1	REAL300008363664	0	42	-1.0	-46.11	352.97	5.73	-40.38
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363665	0	32	-1.0	-47.38	294.88	2.34	-45.04
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)CC1	REAL300008363666	0	40	-1.0	-49.26	358.77	7.31	-41.95
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CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(C)=C1OCC1=CC=CC=C1	REAL300008363668	0	49	-1.0	-54.00	416.92	8.61	-45.39
CCC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(C)C=C1OC	REAL300008363669	0	42	-1.0	-55.02	344.10	5.23	-49.79
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)CC1	REAL300008363670	0	35	-1.0	-40.73	329.82	5.21	-35.52
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=N1	REAL300008363671	1	31	-1.0	-63.02	273.98	1.94	-61.08
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300008363672	0	38	-1.0	-47.78	307.30	6.47	-41.31
CC(C)OC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300008363673	0	38	-1.0	-44.36	327.79	1.78	-42.58
COC1=C(F)C=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363674	0	33	-1.0	-54.41	282.02	3.65	-50.76
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(C)C	REAL300008363675	0	45	-1.0	-45.95	367.56	5.77	-40.18
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300008363676	0	41	-1.0	-47.29	335.82	5.76	-41.53
O=C([O-])CC1(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CC1	REAL300008363677	0	48	-1.0	-58.48	384.04	8.11	-50.37
CN1N=C2CCCCC2=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363678	0	39	-1.0	-47.89	317.74	3.33	-44.56
CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C(C)(C)C)=N1	REAL300008363679	0	41	-1.0	-41.66	315.67	3.85	-37.81
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CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363681	0	32	-1.0	-44.58	289.81	2.39	-42.19
COC1=CC=C(F)C=C1CS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363682	0	36	-1.0	-59.70	316.78	3.75	-55.95
C=CCCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363683	0	39	-1.0	-44.06	335.81	6.12	-37.94
CCCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(C)C	REAL300008363684	0	51	-1.0	-46.15	411.56	7.16	-38.99
O=C([O-])CC1(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)CC1	REAL300008363685	0	33	-1.0	-43.16	308.74	5.04	-38.12
CCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(C)(C)C	REAL300008363686	0	51	-1.0	-46.67	402.62	7.05	-39.62
CCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1CC	REAL300008363687	0	45	-1.0	-45.93	373.15	5.85	-40.08
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363688	0	35	-1.0	-49.16	297.41	5.32	-43.84
CC1=CC(Br)=CC=C1CS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363689	0	35	-1.0	-41.66	317.82	5.35	-36.31
O=C([O-])CC1(NS(=O)(=O)C=CC2=CC=CC=C2Cl)CC1	REAL300008363690	0	33	-1.0	-56.10	306.92	5.30	-50.80
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363691	0	45	-1.0	-51.74	372.52	6.50	-45.24
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CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2)C=C1	REAL300008363693	0	44	-1.0	-46.49	388.69	7.22	-39.27
O=C([O-])CC1(NS(=O)(=O)C2=CC=NN2CC2CCC2)CC1	REAL300008363694	0	39	-1.0	-47.06	307.91	4.21	-42.85
CC1(C)COC2=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=NN2C1	REAL300008363695	0	40	-1.0	-59.65	325.28	1.75	-57.90
O=C([O-])CC1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CC1	REAL300008363696	0	35	-1.0	-54.56	325.73	4.42	-50.14
CCCCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(C)C	REAL300008363697	0	54	-1.0	-46.01	433.06	7.94	-38.07
COC1=CC(C(C)C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300008363698	0	45	-1.0	-56.02	360.62	5.76	-50.26
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363699	0	39	-1.0	-48.41	330.18	5.03	-43.38
CCOCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(C)C	REAL300008363700	0	52	-1.0	-49.10	423.03	5.99	-43.11
CC1CC2=CC=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=C2O1	REAL300008363701	0	37	-1.0	-46.94	312.19	4.39	-42.55
CC(C)(C)C1=NC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)S1	REAL300008363702	0	37	-1.0	-54.45	326.33	3.50	-50.95
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CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363704	0	34	-1.0	-56.44	297.29	2.80	-53.64
O=C([O-])CC1(NS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)CC1	REAL300008363705	0	33	-1.0	-45.62	308.01	4.06	-41.56
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3S2)CC1	REAL300008363706	0	32	-1.0	-47.12	296.19	4.94	-42.18
CC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1F	REAL300008363707	0	38	-1.0	-53.03	302.88	5.68	-47.35
COC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1OC	REAL300008363708	0	37	-1.0	-56.86	305.01	3.41	-53.45
CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C2CCCC2)=N1	REAL300008363709	0	42	-1.0	-52.33	339.70	4.16	-48.17
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363710	0	41	-1.0	-54.42	341.16	4.27	-50.15
CCCCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=N1	REAL300008363711	0	41	-1.0	-47.13	340.42	4.27	-42.86
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)CC1	REAL300008363712	0	33	-1.0	-47.83	297.78	2.90	-44.93
CN1N=NC2=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=CC=C21	REAL300008363713	0	34	-1.0	-52.77	293.19	1.90	-50.87
CC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Br	REAL300008363714	0	35	-1.0	-54.45	312.43	5.63	-48.82
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)CC1	REAL300008363715	0	35	-1.0	-53.37	326.28	4.96	-48.41
CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C2CCC2)=N1	REAL300008363716	0	39	-1.0	-53.52	332.22	3.95	-49.57
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363717	0	47	-1.0	-57.01	371.42	7.64	-49.37
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)CC1	REAL300008363718	0	35	-1.0	-40.26	328.40	5.15	-35.11
O=C([O-])CC1(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)CC1	REAL300008363719	0	39	-1.0	-44.99	332.97	3.90	-41.09
O=C([O-])CC1(NS(=O)(=O)C2=C(C3CC3)C=CS2)CC1	REAL300008363720	0	33	-1.0	-60.46	291.01	4.45	-56.01
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)CC1	REAL300008363721	0	40	-1.0	-46.78	355.90	7.26	-39.52
COC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300008363722	0	38	-1.0	-57.04	323.72	4.53	-52.51
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363723	0	38	-1.0	-54.44	301.93	4.38	-50.06
CC(C)(C)N1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300008363724	0	38	-1.0	-54.91	325.82	3.40	-51.51
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CN=C1C(F)(F)F	REAL300008363725	0	34	-1.0	-50.36	311.54	3.44	-46.92
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300008363726	0	32	-1.0	-50.10	307.08	4.78	-45.32
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363727	0	40	-1.0	-46.71	343.14	5.37	-41.34
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)CC1	REAL300008363728	0	40	-1.0	-45.10	323.79	6.22	-38.88
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CC1	REAL300008363729	0	35	-1.0	-54.75	320.64	4.89	-49.86
O=C([O-])CC1(NS(=O)(=O)CC2=NOC3=C2COCC3)CC1	REAL300008363730	0	36	-1.0	-63.94	311.27	1.97	-61.97
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363731	0	39	-1.0	-43.30	354.81	4.10	-39.20
O=C([O-])CC1(NS(=O)(=O)C2=CSC=C2C(F)(F)F)CC1	REAL300008363732	0	29	-1.0	-53.02	266.43	3.91	-49.11
O=C([O-])CC1(NS(=O)(=O)C2=CC=NN2C2CCCC2)CC1	REAL300008363733	0	39	-1.0	-50.49	326.43	4.22	-46.27
CCC(C)N1N=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363734	0	38	-1.0	-43.14	312.67	3.30	-39.84
CN(C1CCCCCC1)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363735	0	43	-1.0	-44.18	324.05	4.44	-39.74
CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C2CCOCC2)=N1	REAL300008363736	0	43	-1.0	-51.77	346.52	2.57	-49.20
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363737	0	35	-1.0	-41.08	311.83	4.85	-36.23
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)CC1	REAL300008363738	0	33	-1.0	-46.32	297.80	2.89	-43.43
O=C([O-])CC1(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CC1	REAL300008363739	0	44	-1.0	-43.97	353.52	6.35	-37.62
CC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=NC=CC=C12	REAL300008363740	0	40	-1.0	-64.02	332.82	6.04	-57.98
O=C([O-])CC1(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)CC1	REAL300008363741	0	37	-1.0	-42.39	313.50	3.80	-38.59
CCOCC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363742	0	39	-1.0	-44.49	335.47	4.01	-40.48
O=C([O-])CC1(NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)CC1	REAL300008363743	0	32	-1.0	-47.31	317.08	5.35	-41.96
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363744	0	39	-1.0	-47.15	330.36	4.36	-42.79
O=C([O-])CC1(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)CC1	REAL300008363745	0	42	-1.0	-53.73	347.68	4.63	-49.10
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CC1	REAL300008363746	0	40	-1.0	-47.17	347.58	6.05	-41.12
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(C)=C1Br	REAL300008363747	0	35	-1.0	-51.77	319.47	5.46	-46.31
O=C([O-])CC1(NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)CC1	REAL300008363748	0	32	-1.0	-47.31	317.08	5.35	-41.96
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300008363749	0	38	-1.0	-46.72	311.56	6.40	-40.32
CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300008363750	0	39	-1.0	-58.67	336.37	5.47	-53.20
O=C([O-])CC1(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)CC1	REAL300008363751	0	33	-1.0	-43.18	313.30	5.13	-38.05
O=C([O-])CC1(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)CC1	REAL300008363752	0	33	-1.0	-53.85	313.97	5.50	-48.35
O=C([O-])CC1(NS(=O)(=O)CCC2NC(=O)NC2=O)CC1	REAL300008363753	0	34	-1.0	-42.84	300.83	-2.59	-45.43
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3SC=NC3=C2)CC1	REAL300008363754	0	31	-1.0	-55.78	287.40	2.95	-52.83
CC1=NC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300008363755	0	38	-1.0	-51.43	332.47	3.30	-48.13
O=C([O-])CC1(NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CC1	REAL300008363756	0	46	-1.0	-44.28	333.93	6.47	-37.81
CS(=O)(=O)CCCCS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363757	0	37	-1.0	-55.80	327.59	0.24	-55.56
CC1(C)CCC(CS(=O)(=O)NC2(CC(=O)[O-])CC2)OC1	REAL300008363758	0	42	-1.0	-62.88	330.10	4.15	-58.73
O=C([O-])CC1(NS(=O)(=O)CC2=CC=CC3=NSN=C32)CC1	REAL300008363759	0	33	-1.0	-48.37	305.09	2.47	-45.90
O=C([O-])CC1(NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CC1	REAL300008363760	0	39	-1.0	-63.16	338.09	6.70	-56.46
O=C([O-])CC1(NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CC1	REAL300008363761	0	38	-1.0	-48.29	310.53	1.40	-46.89
O=C([O-])CC1(NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	REAL300008363762	0	42	-1.0	-43.91	324.45	5.59	-38.32
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C3CC3)S2)CC1	REAL300008363763	0	33	-1.0	-44.58	300.44	4.60	-39.98
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C21	REAL300008363764	0	51	-1.0	-47.65	388.31	7.52	-40.13
COC1=CC=C(C=C(C)S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363765	0	40	-1.0	-46.29	334.97	4.62	-41.67
COC1=CSC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1OC	REAL300008363766	0	34	-1.0	-56.94	307.51	2.63	-54.31
O=C([O-])CC1(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1	REAL300008363767	0	41	-1.0	-45.68	312.80	4.03	-41.65
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363768	0	40	-1.0	-43.99	337.93	5.52	-38.47
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CC1	REAL300008363769	0	33	-1.0	-54.89	306.85	4.45	-50.44
COC1=CC(F)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(F)=C1	REAL300008363770	0	33	-1.0	-44.83	296.29	2.96	-41.87
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CC1	REAL300008363771	0	33	-1.0	-45.21	303.52	2.95	-42.26
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363772	0	35	-1.0	-49.42	301.88	3.26	-46.16
CN1C=CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C21	REAL300008363773	0	36	-1.0	-58.26	310.17	5.33	-52.93
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)CC1	REAL300008363774	0	38	-1.0	-48.03	337.52	3.83	-44.20
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363775	0	42	-1.0	-53.34	355.41	6.15	-47.19
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CC1	REAL300008363776	0	40	-1.0	-51.18	347.59	6.06	-45.12
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363777	0	35	-1.0	-62.49	297.24	5.50	-56.99
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)CC1	REAL300008363778	0	30	-1.0	-46.18	289.78	2.35	-43.83
C=C(C)COC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363779	0	40	-1.0	-45.14	342.19	4.94	-40.20
CCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C2CC2)=N1	REAL300008363780	0	39	-1.0	-53.72	338.90	4.22	-49.50
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=NSN=C2C=C1	REAL300008363781	0	33	-1.0	-63.15	296.95	3.31	-59.84
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CC1	REAL300008363782	0	35	-1.0	-44.66	320.98	5.92	-38.74
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)CC1	REAL300008363783	0	39	-1.0	-52.99	352.55	7.65	-45.34
O=C([O-])CC1(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)CC1	REAL300008363784	0	28	-1.0	-41.10	286.87	1.77	-39.33
CCC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Br	REAL300008363785	0	35	-1.0	-43.54	316.64	5.38	-38.16
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363786	0	42	-1.0	-50.78	348.89	4.81	-45.97
COCCC1=CC=C(OC)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363787	0	43	-1.0	-47.39	358.81	4.06	-43.33
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CC1	REAL300008363788	0	35	-1.0	-47.65	300.10	6.10	-41.55
CN1N=C2CCOCC2=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363789	0	37	-1.0	-48.03	309.13	0.97	-47.06
O=C([O-])CC1(NS(=O)(=O)C2=CC(Br)=C3OCCOC3=C2)CC1	REAL300008363790	0	35	-1.0	-47.18	322.38	3.33	-43.85
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)CC1	REAL300008363791	0	44	-1.0	-45.95	359.99	3.88	-42.07
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363792	0	32	-1.0	-43.72	302.29	0.87	-42.85
COC1=NC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300008363793	0	35	-1.0	-46.23	305.94	0.74	-45.49
CC(C)CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300008363794	0	38	-1.0	-53.53	329.03	3.80	-49.73
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363795	0	38	-1.0	-47.75	316.12	3.24	-44.51
O=C([O-])CC1(NS(=O)(=O)N2CCN(CC(F)F)CC2)CC1	REAL300008363796	0	39	-1.0	-47.02	312.98	1.00	-46.02
COCC1=CC(CS(=O)(=O)NC2(CC(=O)[O-])CC2)=NO1	REAL300008363797	0	35	-1.0	-46.79	311.98	1.35	-45.44
O=C([O-])CC1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)CC1	REAL300008363798	0	34	-1.0	-55.70	310.59	5.84	-49.86
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)N=C1	REAL300008363799	0	40	-1.0	-49.38	330.61	3.68	-45.70
O=C([O-])CC1(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CC1	REAL300008363800	0	36	-1.0	-51.09	304.55	4.25	-46.84
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)F)C=N2)CC1	REAL300008363801	0	31	-1.0	-46.65	287.56	2.54	-44.11
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=NN1C(C)C	REAL300008363802	0	38	-1.0	-56.12	324.72	3.36	-52.76
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300008363803	0	43	-1.0	-47.19	367.63	6.94	-40.25
O=C([O-])CC1(NS(=O)(=O)C2=NC=CC3=CC=CC=C32)CC1	REAL300008363804	0	34	-1.0	-59.75	297.83	4.13	-55.62
O=C([O-])CC1(NS(=O)(=O)N2CC=C(Br)CC2)CC1	REAL300008363805	0	32	-1.0	-53.74	293.09	3.44	-50.30
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363806	0	37	-1.0	-51.13	309.26	-0.81	-51.94
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C(F)F)=C1	REAL300008363807	0	36	-1.0	-57.08	308.83	4.00	-53.08
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363808	0	35	-1.0	-41.22	317.35	2.21	-39.01
O=C([O-])CC1(NS(=O)(=O)C2=CC=NC3=CC=CC=C32)CC1	REAL300008363809	0	34	-1.0	-53.89	294.61	4.05	-49.84
CCOC1=CC=CN=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363810	0	35	-1.0	-49.15	302.62	3.23	-45.92
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=NC=CC=C12	REAL300008363811	0	37	-1.0	-54.10	298.60	5.44	-48.66
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(F)F)=CC=N2)CC1	REAL300008363812	0	31	-1.0	-58.26	288.76	2.62	-55.64
O=C([O-])CC1(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)CC1	REAL300008363813	0	36	-1.0	-45.26	325.35	4.44	-40.82
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300008363814	0	42	-1.0	-48.86	345.17	5.63	-43.23
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008363815	0	45	-1.0	-50.80	377.70	8.42	-42.38
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008363816	0	45	-1.0	-55.30	377.71	8.41	-46.89
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC1=CC=C2CCCC2=C1	REAL300008363817	0	48	-1.0	-59.12	394.20	9.36	-49.76
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC1=CC=C2CCCC2=C1	REAL300008363818	0	49	-1.0	-59.19	394.11	8.28	-50.91
CC1=CC=C(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)C=C1C(=O)[O-]	REAL300008363819	0	48	-1.0	-56.29	397.79	9.05	-47.24
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300008363820	0	42	-1.0	-49.55	362.06	8.20	-41.35
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300008363821	0	45	-1.0	-55.30	377.71	8.41	-46.89
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300008363822	0	45	-1.0	-50.80	377.70	8.42	-42.38
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008363823	0	45	-1.0	-53.27	368.08	9.26	-44.01
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300008363824	0	43	-1.0	-53.11	366.30	6.10	-47.01
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300008363825	0	45	-1.0	-53.94	382.38	6.49	-47.45
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300008363826	0	42	-1.0	-49.87	369.76	7.55	-42.32
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008363827	0	42	-1.0	-58.96	357.63	5.35	-53.61
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300008363828	0	50	-1.0	-52.27	397.32	7.75	-44.52
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008363829	0	50	-1.0	-54.53	394.17	7.67	-46.86
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300008363830	0	45	-1.0	-53.27	368.08	9.26	-44.01
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300008363831	0	45	-1.0	-47.01	384.82	9.77	-37.24
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008363832	0	42	-1.0	-51.79	363.42	6.86	-44.93
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)O1	REAL300008363833	0	45	-1.0	-52.03	381.67	7.30	-44.73
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)CCCC(=O)[O-]	REAL300008363834	0	44	-1.0	-55.10	362.95	7.02	-48.08
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300008363835	0	47	-1.0	-62.96	376.93	7.65	-55.31
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008363836	0	48	-1.0	-60.54	400.71	9.12	-51.42
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300008363837	0	50	-1.0	-54.53	394.17	7.67	-46.86
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300008363838	0	48	-1.0	-62.78	400.72	9.10	-53.68
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300008363839	0	42	-1.0	-51.79	363.42	6.86	-44.93
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300008363840	0	49	-1.0	-50.54	408.80	8.68	-41.86
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)CCCC(=O)[O-]	REAL300008363841	0	44	-1.0	-55.10	362.95	7.02	-48.08
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300008363842	0	42	-1.0	-52.00	370.72	7.46	-44.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)=C1C	REAL300008363843	0	51	-1.0	-60.36	411.76	9.91	-50.45
CC1=CC=CC(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)=C1C(=O)[O-]	REAL300008363844	0	48	-1.0	-57.11	395.94	9.49	-47.62
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300008363845	0	42	-1.0	-53.16	369.38	7.44	-45.72
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C)CC1=CC=C2CCCC2=C1	REAL300008363846	0	48	-1.0	-50.84	388.55	9.19	-41.65
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300008363847	0	48	-1.0	-51.53	399.89	9.18	-42.35
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300008363848	0	42	-1.0	-51.60	363.72	6.58	-45.02
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008363849	0	48	-1.0	-54.70	399.87	9.17	-45.53
CC1=C(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)C=C(C(=O)[O-])O1	REAL300008363850	0	45	-1.0	-56.20	383.49	7.56	-48.64
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300008363851	0	44	-1.0	-49.13	372.89	6.57	-42.56
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008363852	0	41	-1.0	-53.56	356.34	6.65	-46.91
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300008363853	0	41	-1.0	-58.03	360.06	6.16	-51.87
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300008363854	0	44	-1.0	-55.93	364.77	7.50	-48.43
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)CCCCCC(=O)[O-]	REAL300008363855	0	50	-1.0	-55.99	405.95	8.58	-47.41
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300008363856	0	44	-1.0	-52.66	373.59	6.58	-46.08
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008363857	0	45	-1.0	-49.45	394.43	8.91	-40.54
COC1=CC=C(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)C=C1C(=O)[O-]	REAL300008363858	0	49	-1.0	-60.99	405.01	8.48	-52.51
CC1=CC(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)=CC=C1C(=O)[O-]	REAL300008363859	0	48	-1.0	-50.07	393.71	8.95	-41.12
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)N(C)CCC(=O)[O-]	REAL300008363860	0	46	-1.0	-49.84	370.25	6.31	-43.53
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300008363861	0	45	-1.0	-49.45	394.43	8.91	-40.54
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N[C@H](C)CC1=CC=C2CCCC2=C1	REAL300008363862	0	45	-1.0	-55.53	375.75	8.73	-46.80
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300008363863	0	48	-1.0	-60.54	400.71	9.12	-51.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC1=CC=C2CCCC2=C1	REAL300008363864	0	49	-1.0	-59.19	394.11	8.28	-50.91
CC1=CC=C(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)C=C1C(=O)[O-]	REAL300008363865	0	48	-1.0	-56.29	397.79	9.05	-47.24
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC1=CC=C2CCCC2=C1	REAL300008363866	0	48	-1.0	-59.12	394.20	9.36	-49.76
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300008363867	0	48	-1.0	-51.03	387.71	8.31	-42.72
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300008363868	0	48	-1.0	-54.70	399.87	9.17	-45.53
COC1=C(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)SC(C(=O)[O-])=C1	REAL300008363869	0	46	-1.0	-50.97	394.18	6.69	-44.28
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300008363870	0	52	-1.0	-55.56	423.85	10.29	-45.27
CCC1=C(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)C=C(C(=O)[O-])O1	REAL300008363871	0	48	-1.0	-55.93	402.97	8.33	-47.60
CC1=NC=C(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)C=C1C(=O)[O-]	REAL300008363872	0	47	-1.0	-48.49	389.15	7.12	-41.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@H](C)CC1=CC=C2CCCC2=C1	REAL300008363873	0	49	-1.0	-51.15	394.15	8.29	-42.86
COC1=CC(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)=CC=C1C(=O)[O-]	REAL300008363874	0	49	-1.0	-55.90	404.93	8.48	-47.42
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300008363875	0	48	-1.0	-53.52	405.31	9.22	-44.30
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008363876	0	45	-1.0	-53.36	368.21	6.62	-46.74
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)=C1	REAL300008363877	0	45	-1.0	-52.75	381.41	7.45	-45.30
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300008363878	0	45	-1.0	-53.16	390.23	8.80	-44.36
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300008363879	0	42	-1.0	-56.57	355.94	7.33	-49.24
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300008363880	0	45	-1.0	-45.60	355.70	7.39	-38.21
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)=C1	REAL300008363881	0	49	-1.0	-51.86	397.52	8.57	-43.29
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008363882	0	42	-1.0	-58.96	357.63	5.35	-53.61
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300008363883	0	45	-1.0	-53.36	368.21	6.62	-46.74
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300008363884	0	44	-1.0	-49.61	370.42	6.34	-43.27
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300008363885	0	48	-1.0	-59.84	390.67	9.54	-50.30
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008363886	0	42	-1.0	-48.24	378.35	7.13	-41.11
COC1=CC=C(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)C(C(=O)[O-])=C1	REAL300008363887	0	49	-1.0	-53.92	397.44	8.56	-45.36
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300008363888	0	44	-1.0	-56.78	373.78	6.64	-50.14
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008363889	0	42	-1.0	-46.25	362.04	4.69	-41.56
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300008363890	0	45	-1.0	-56.50	379.35	6.13	-50.37
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300008363891	0	45	-1.0	-56.43	366.48	7.51	-48.92
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300008363892	0	48	-1.0	-57.89	381.70	8.01	-49.88
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)S1	REAL300008363893	0	45	-1.0	-52.24	388.82	8.16	-44.08
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008363894	0	48	-1.0	-60.75	391.65	9.66	-51.09
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300008363895	0	48	-1.0	-68.59	404.16	6.96	-61.63
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300008363896	0	48	-1.0	-47.15	404.39	9.55	-37.60
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300008363897	0	45	-1.0	-57.26	374.32	7.75	-49.51
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300008363898	0	50	-1.0	-57.18	382.79	8.59	-48.59
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300008363899	0	42	-1.0	-46.25	362.04	4.69	-41.56
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300008363900	0	47	-1.0	-47.45	369.76	7.12	-40.33
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300008363901	0	42	-1.0	-58.96	357.63	5.35	-53.61
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300008363902	0	42	-1.0	-44.75	378.94	8.82	-35.93
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300008363903	0	45	-1.0	-63.98	358.33	8.23	-55.75
CC1=CC(S(=O)(=O)N[C@H](C)CC2=CC=C3CCCC3=C2)=CN=C1C(=O)[O-]	REAL300008363904	0	47	-1.0	-52.91	390.10	7.16	-45.75
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300008363905	0	48	-1.0	-60.75	391.65	9.66	-51.09
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300008363906	0	52	-1.0	-55.20	423.15	10.29	-44.91
C[C@H](CC1=CC=C2CCCC2=C1)NS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300008363907	0	44	-1.0	-47.44	363.78	7.48	-39.96
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300008363908	0	45	-1.0	-47.57	345.19	6.72	-40.85
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C2	REAL300008363909	0	45	-1.0	-52.82	344.94	6.71	-46.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363910	0	48	-1.0	-55.70	358.34	7.54	-48.16
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363911	0	49	-1.0	-55.43	358.56	6.48	-48.95
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C=C1C(=O)[O-]	REAL300008363912	0	48	-1.0	-53.99	364.68	7.36	-46.63
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C2	REAL300008363913	0	42	-1.0	-47.23	326.50	6.41	-40.82
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C2	REAL300008363914	0	45	-1.0	-52.82	344.94	6.71	-46.11
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300008363915	0	45	-1.0	-47.57	345.19	6.72	-40.85
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C2	REAL300008363916	0	45	-1.0	-50.55	331.71	7.46	-43.09
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C2	REAL300008363917	0	43	-1.0	-50.45	333.41	4.45	-46.00
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C2	REAL300008363918	0	45	-1.0	-50.16	351.25	4.90	-45.26
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C2	REAL300008363919	0	42	-1.0	-46.77	337.47	5.85	-40.92
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C2	REAL300008363920	0	42	-1.0	-57.25	317.45	3.97	-53.28
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C2	REAL300008363921	0	50	-1.0	-48.72	364.97	5.93	-42.79
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C2	REAL300008363922	0	50	-1.0	-50.32	364.27	5.94	-44.38
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C2	REAL300008363923	0	45	-1.0	-50.55	331.71	7.46	-43.09
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C2	REAL300008363924	0	45	-1.0	-44.24	348.58	7.98	-36.26
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C2	REAL300008363925	0	42	-1.0	-49.39	330.04	5.09	-44.30
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)O1	REAL300008363926	0	45	-1.0	-48.89	351.42	5.69	-43.20
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)CCCC(=O)[O-])C2	REAL300008363927	0	44	-1.0	-50.81	331.13	5.35	-45.46
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)N1CCCC1C(=O)[O-])C2	REAL300008363928	0	47	-1.0	-58.79	345.51	5.78	-53.01
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300008363929	0	48	-1.0	-56.29	368.89	7.45	-48.84
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C2	REAL300008363930	0	50	-1.0	-50.32	364.27	5.94	-44.38
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C2	REAL300008363931	0	48	-1.0	-58.50	369.12	7.43	-51.07
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C2	REAL300008363932	0	42	-1.0	-49.39	330.04	5.09	-44.30
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C2	REAL300008363933	0	49	-1.0	-47.08	376.28	7.00	-40.08
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)CCCC(=O)[O-])C2	REAL300008363934	0	44	-1.0	-50.81	331.13	5.35	-45.46
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C2	REAL300008363935	0	42	-1.0	-48.84	338.43	5.75	-43.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)=C1C	REAL300008363936	0	51	-1.0	-57.06	376.18	8.12	-48.94
CC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)=C1C(=O)[O-]	REAL300008363937	0	48	-1.0	-53.47	355.85	7.63	-45.84
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)=C1	REAL300008363938	0	52	-1.0	-52.55	401.56	6.50	-46.05
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C2	REAL300008363939	0	42	-1.0	-50.83	338.58	5.82	-45.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363940	0	48	-1.0	-48.50	353.47	7.42	-41.08
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=C(C(=O)[O-])SC3=CC=CC=C31)C2	REAL300008363941	0	48	-1.0	-50.75	368.22	9.01	-41.74
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C2	REAL300008363942	0	48	-1.0	-47.67	369.12	7.59	-40.08
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C=C1[N+](=O)[O-]	REAL300008363943	0	50	-1.0	-41.78	384.81	7.82	-33.96
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C2	REAL300008363944	0	42	-1.0	-48.28	330.04	4.83	-43.45
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C2	REAL300008363945	0	48	-1.0	-50.88	367.11	7.49	-43.39
CC1=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C=C(C(=O)[O-])O1	REAL300008363946	0	45	-1.0	-52.42	349.82	5.84	-46.58
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C2	REAL300008363947	0	44	-1.0	-46.50	340.12	4.93	-41.57
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CSN=C1C(=O)[O-])C2	REAL300008363948	0	41	-1.0	-51.51	321.02	4.88	-46.63
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C2	REAL300008363949	0	41	-1.0	-65.27	325.55	4.25	-61.02
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C2	REAL300008363950	0	44	-1.0	-53.18	326.55	5.62	-47.56
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)CCCCCC(=O)[O-])C2	REAL300008363951	0	50	-1.0	-51.83	374.11	6.91	-44.92
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C2	REAL300008363952	0	44	-1.0	-49.80	342.36	5.00	-44.80
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C2	REAL300008363953	0	45	-1.0	-46.80	363.24	7.30	-39.50
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C=C1C(=O)[O-]	REAL300008363954	0	49	-1.0	-57.95	372.20	6.78	-51.17
CC1=CC(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)=CC=C1C(=O)[O-]	REAL300008363955	0	48	-1.0	-47.01	360.99	7.26	-39.75
CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363956	0	46	-1.0	-48.21	343.12	4.90	-43.31
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=CC3=C(C(=O)[O-])N=CC=C13)C2	REAL300008363957	0	50	-1.0	-51.51	376.73	7.09	-44.42
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)=C1	REAL300008363958	0	52	-1.0	-52.55	401.56	6.50	-46.05
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C2	REAL300008363959	0	45	-1.0	-46.80	363.24	7.30	-39.50
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363960	0	45	-1.0	-50.79	345.47	7.32	-43.47
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363961	0	48	-1.0	-49.85	373.03	8.01	-41.84
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)C=C21	REAL300008363962	0	51	-1.0	-49.90	391.87	8.05	-41.85
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300008363963	0	48	-1.0	-56.29	368.89	7.45	-48.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363964	0	49	-1.0	-55.43	358.56	6.48	-48.95
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C=C1C(=O)[O-]	REAL300008363965	0	48	-1.0	-53.99	364.68	7.36	-46.63
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363966	0	48	-1.0	-55.70	358.34	7.54	-48.16
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363967	0	49	-1.0	-45.69	378.33	6.78	-38.91
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)CC1(CC(=O)[O-])CC1)C2	REAL300008363968	0	48	-1.0	-50.44	355.92	6.54	-43.90
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C2	REAL300008363969	0	48	-1.0	-50.88	367.11	7.49	-43.39
COC1=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)SC(C(=O)[O-])=C1	REAL300008363970	0	46	-1.0	-46.08	365.42	5.95	-40.13
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C3OC(C(=O)[O-])CC3=C1)C2	REAL300008363971	0	50	-1.0	-48.22	383.34	7.47	-40.75
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(C3(C(=O)[O-])CC3)C=C1)C2	REAL300008363972	0	52	-1.0	-51.70	392.88	8.67	-43.03
CCC1=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C=C(C(=O)[O-])O1	REAL300008363973	0	48	-1.0	-52.24	369.39	6.66	-45.58
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C2	REAL300008363974	0	47	-1.0	-44.41	360.06	8.14	-36.27
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C3SC(C(=O)[O-])=CC3=C1)C2	REAL300008363975	0	48	-1.0	-49.93	383.11	8.22	-41.71
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])C2	REAL300008363976	0	47	-1.0	-39.27	360.26	8.13	-31.14
CC1=NC=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C=C1C(=O)[O-]	REAL300008363977	0	47	-1.0	-46.04	356.47	5.44	-40.60
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363978	0	49	-1.0	-47.82	358.51	6.49	-41.33
COC1=CC(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)=CC=C1C(=O)[O-]	REAL300008363979	0	49	-1.0	-52.80	372.19	6.79	-46.01
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(CC(=O)[O-])=C1	REAL300008363980	0	52	-1.0	-57.63	385.29	7.16	-50.47
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C2	REAL300008363981	0	48	-1.0	-49.68	372.50	7.53	-42.15
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C=C1	REAL300008363982	0	54	-1.0	-48.70	400.09	8.44	-40.26
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363983	0	45	-1.0	-52.36	335.70	5.00	-47.36
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=CC3=C(C(=O)[O-])C=CC=C13)C2	REAL300008363984	0	51	-1.0	-49.61	381.15	8.93	-40.68
CC1=C(C(=O)[O-])OC(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)=C1	REAL300008363985	0	45	-1.0	-50.44	349.21	5.75	-44.69
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C2	REAL300008363986	0	45	-1.0	-50.57	357.41	7.12	-43.45
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C2	REAL300008363987	0	42	-1.0	-53.92	323.84	5.65	-48.27
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)C2	REAL300008363988	0	45	-1.0	-44.33	328.57	5.82	-38.51
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)=C1	REAL300008363989	0	49	-1.0	-49.38	362.66	6.83	-42.55
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=NNC=C1C(=O)[O-])C2	REAL300008363990	0	42	-1.0	-57.25	317.45	3.97	-53.28
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363991	0	45	-1.0	-52.36	335.70	5.00	-47.36
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363993	0	52	-1.0	-53.46	386.78	6.69	-46.77
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C2	REAL300008363994	0	44	-1.0	-47.69	343.04	4.91	-42.78
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C2	REAL300008363995	0	48	-1.0	-56.65	358.48	7.86	-48.79
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C2	REAL300008363996	0	42	-1.0	-45.35	346.29	5.45	-39.90
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C3=CC=CC=C31)C2	REAL300008363997	0	51	-1.0	-49.97	381.32	8.96	-41.01
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	REAL300008363998	0	52	-1.0	-55.04	373.59	7.15	-47.89
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(C(=O)[O-])=C1	REAL300008363999	0	49	-1.0	-51.51	361.27	6.77	-44.74
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C2	REAL300008364000	0	44	-1.0	-54.19	341.33	4.95	-49.24
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367126	0	36	-1.0	-58.24	297.62	3.85	-54.39
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367127	0	43	-1.0	-65.53	369.25	4.13	-61.40
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300008367128	0	43	-1.0	-59.14	370.48	1.11	-58.03
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300008367129	0	50	-1.0	-54.56	365.77	5.75	-48.81
CC1=NC2=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300008367130	0	40	-1.0	-66.55	324.87	5.58	-60.97
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300008367131	0	40	-1.0	-70.06	342.84	5.85	-64.21
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300008367132	0	43	-1.0	-57.11	356.57	2.56	-54.55
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367133	0	46	-1.0	-64.00	381.52	4.87	-59.13
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367134	0	46	-1.0	-62.67	384.38	5.30	-57.37
CCCN1C=NC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367135	0	38	-1.0	-64.73	325.12	4.76	-59.97
COCCOCCOCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367136	0	46	-1.0	-61.14	386.51	1.31	-59.83
CC(COC1CCCC1)CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367137	0	48	-1.0	-62.02	379.31	5.39	-56.63
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367138	0	39	-1.0	-54.38	345.71	4.30	-50.08
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300008367139	0	40	-1.0	-55.94	337.14	1.77	-54.17
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367140	0	36	-1.0	-54.17	328.22	3.88	-50.29
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300008367141	0	36	-1.0	-53.07	305.48	3.94	-49.13
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008367142	0	38	-1.0	-54.18	335.14	4.78	-49.40
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367143	0	38	-1.0	-55.29	334.14	5.83	-49.46
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367144	0	38	-1.0	-59.89	334.13	5.84	-54.05
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300008367145	0	38	-1.0	-53.19	333.23	5.58	-47.61
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367146	0	41	-1.0	-60.71	330.03	5.99	-54.72
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCCN1CCOCC1	REAL300008367147	0	44	-1.0	-61.99	352.44	0.97	-61.02
CCOC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367148	0	39	-1.0	-57.99	330.97	4.26	-53.73
COCCN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300008367149	0	39	-1.0	-55.38	339.18	1.64	-53.74
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300008367150	0	39	-1.0	-57.23	342.26	4.57	-52.66
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300008367151	0	59	-1.0	-56.67	466.43	8.57	-48.10
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300008367152	0	40	-1.0	-61.85	349.95	6.06	-55.79
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300008367153	0	37	-1.0	-56.89	320.03	4.37	-52.52
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300008367154	0	35	-1.0	-62.27	323.02	5.28	-56.99
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC=C1Br	REAL300008367155	0	35	-1.0	-56.83	317.50	5.29	-51.54
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300008367156	0	39	-1.0	-69.25	343.78	1.87	-67.38
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367157	0	35	-1.0	-53.73	320.19	5.28	-48.45
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367158	0	35	-1.0	-54.62	312.04	5.28	-49.34
COCC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367159	0	39	-1.0	-56.92	325.99	4.16	-52.76
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300008367160	0	36	-1.0	-54.20	329.50	4.01	-50.19
COC1=CC(OC)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300008367161	0	40	-1.0	-59.18	337.80	3.62	-55.56
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300008367162	0	35	-1.0	-56.67	323.30	3.09	-53.58
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300008367163	0	35	-1.0	-57.16	317.35	2.92	-54.24
CC1(C)CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300008367164	0	43	-1.0	-56.32	356.67	5.28	-51.04
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300008367165	0	35	-1.0	-60.91	306.61	2.95	-57.96
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367166	0	43	-1.0	-69.35	345.45	2.35	-67.00
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367167	0	44	-1.0	-59.31	381.57	3.25	-56.06
CSC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367168	0	36	-1.0	-48.29	316.12	5.09	-43.20
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300008367169	0	40	-1.0	-58.63	356.88	0.80	-57.83
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367170	0	46	-1.0	-57.08	397.05	1.82	-55.26
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367171	0	43	-1.0	-70.97	360.41	4.09	-66.88
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300008367172	0	43	-1.0	-57.53	378.35	1.69	-55.84
CCC1=CC=C(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367173	0	41	-1.0	-61.54	345.39	6.15	-55.39
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CS1	REAL300008367174	0	35	-1.0	-59.77	313.40	4.55	-55.22
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300008367175	0	47	-1.0	-53.73	391.68	4.46	-49.27
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300008367176	0	44	-1.0	-59.36	369.78	4.02	-55.34
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367177	0	41	-1.0	-65.27	360.98	2.49	-62.78
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367178	0	42	-1.0	-66.16	352.31	1.24	-64.92
CC1=CC=C(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300008367179	0	41	-1.0	-61.95	340.21	5.91	-56.04
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300008367180	0	39	-1.0	-57.63	351.35	4.93	-52.70
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300008367181	0	46	-1.0	-59.57	386.93	7.05	-52.52
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300008367182	0	36	-1.0	-52.94	315.83	4.39	-48.55
COC1=CC=C(Br)C(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367183	0	39	-1.0	-59.17	346.88	4.59	-54.58
CC1(C)CN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CCO1	REAL300008367184	0	41	-1.0	-55.20	321.79	2.15	-53.05
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2S1	REAL300008367185	0	46	-1.0	-54.75	391.81	5.97	-48.78
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367186	0	39	-1.0	-58.30	331.07	4.91	-53.39
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300008367187	0	44	-1.0	-57.35	369.92	5.56	-51.79
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367188	0	39	-1.0	-64.23	340.24	-1.30	-65.53
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008367189	0	38	-1.0	-56.30	327.53	5.18	-51.12
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300008367190	0	35	-1.0	-55.50	334.44	5.94	-49.56
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300008367191	0	38	-1.0	-58.70	343.91	6.90	-51.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300008367192	0	35	-1.0	-55.25	332.34	5.88	-49.37
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300008367193	0	38	-1.0	-60.28	336.57	6.86	-53.42
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300008367194	0	38	-1.0	-56.90	338.90	5.81	-51.09
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300008367195	0	43	-1.0	-61.43	359.92	5.33	-56.10
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300008367196	0	46	-1.0	-60.33	394.68	7.38	-52.95
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367197	0	45	-1.0	-59.10	385.33	5.61	-53.49
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300008367198	0	43	-1.0	-64.24	376.39	1.01	-63.23
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300008367199	0	41	-1.0	-52.07	343.17	6.91	-45.16
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1N(C)C	REAL300008367200	0	43	-1.0	-56.16	353.72	4.66	-51.50
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300008367201	0	38	-1.0	-59.55	340.39	5.91	-53.64
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300008367202	0	37	-1.0	-60.70	302.27	0.70	-60.00
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCOCC1CCCC1	REAL300008367203	0	45	-1.0	-57.55	362.78	4.45	-53.10
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300008367204	0	39	-1.0	-60.38	339.75	4.79	-55.59
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367205	0	41	-1.0	-72.32	362.44	2.18	-70.14
CSC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300008367206	0	36	-1.0	-56.34	333.14	5.50	-50.84
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367207	0	44	-1.0	-55.03	356.10	4.51	-50.52
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300008367208	0	40	-1.0	-55.02	350.29	2.57	-52.45
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300008367209	0	39	-1.0	-52.38	340.39	1.72	-50.66
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300008367210	0	43	-1.0	-52.46	375.73	3.85	-48.61
CN1N=CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CN=C21	REAL300008367211	0	37	-1.0	-56.27	323.58	3.15	-53.12
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300008367212	0	38	-1.0	-55.63	346.78	6.92	-48.71
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(CC)=C1	REAL300008367213	0	50	-1.0	-56.05	380.36	8.63	-47.42
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300008367214	0	39	-1.0	-60.27	324.85	4.05	-56.22
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300008367215	0	38	-1.0	-52.72	347.44	2.10	-50.62
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008367216	0	41	-1.0	-69.19	345.55	7.85	-61.34
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300008367217	0	39	-1.0	-55.79	329.66	4.18	-51.61
CC1(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CCCCC1	REAL300008367218	0	44	-1.0	-59.59	326.22	5.47	-54.12
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300008367219	0	41	-1.0	-56.24	337.48	5.43	-50.81
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300008367221	0	40	-1.0	-53.15	348.29	5.29	-47.86
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367222	0	39	-1.0	-54.65	349.23	4.19	-50.46
CC1=CC=C(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300008367223	0	38	-1.0	-62.53	327.43	5.42	-57.11
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300008367225	0	32	-1.0	-53.26	311.14	4.20	-49.06
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300008367226	0	45	-1.0	-62.16	367.40	7.26	-54.90
CC(C)(C)C1=CC(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=NO1	REAL300008367227	0	43	-1.0	-62.86	358.83	4.72	-58.14
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300008367228	0	41	-1.0	-68.42	338.08	1.17	-67.25
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008367229	0	35	-1.0	-56.05	315.82	4.48	-51.57
CC1=C(CCS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])SC=N1	REAL300008367230	0	37	-1.0	-60.07	327.15	3.18	-56.89
O=C([O-])C1CCCC1NS(=O)(=O)CC12CCC(CC1)C2	REAL300008367231	0	42	-1.0	-45.60	323.71	5.78	-39.82
COC1=CC=C2C=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])CCC2=C1	REAL300008367232	0	44	-1.0	-56.99	361.81	5.72	-51.27
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC12CCC(CC1)CC2	REAL300008367233	0	45	-1.0	-61.49	336.16	6.01	-55.48
CC(C)(CCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300008367234	0	43	-1.0	-67.53	351.27	1.11	-66.42
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1CCCCC1(F)F	REAL300008367235	0	41	-1.0	-57.76	332.66	5.17	-52.59
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300008367236	0	39	-1.0	-58.80	328.53	6.13	-52.67
CCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008367237	0	40	-1.0	-62.21	341.21	5.92	-56.29
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300008367238	0	32	-1.0	-52.43	294.63	4.55	-47.88
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300008367239	0	32	-1.0	-52.29	299.20	4.65	-47.64
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008367240	0	34	-1.0	-52.07	306.13	4.70	-47.37
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300008367241	0	38	-1.0	-58.50	325.54	6.31	-52.19
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300008367242	0	34	-1.0	-62.17	306.12	4.70	-57.47
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367243	0	37	-1.0	-63.81	322.61	5.57	-58.24
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300008367244	0	34	-1.0	-61.90	295.35	5.50	-56.40
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367245	0	39	-1.0	-58.67	330.88	5.10	-53.57
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367246	0	39	-1.0	-54.11	329.25	4.25	-49.86
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300008367247	0	44	-1.0	-56.71	340.70	6.68	-50.03
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300008367248	0	41	-1.0	-53.68	325.25	6.24	-47.44
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367249	0	47	-1.0	-60.17	370.57	7.22	-52.95
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300008367250	0	35	-1.0	-58.23	318.68	5.05	-53.18
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300008367251	0	35	-1.0	-58.97	301.73	5.47	-53.50
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300008367252	0	32	-1.0	-56.96	295.53	4.59	-52.37
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367253	0	37	-1.0	-54.62	318.37	4.42	-50.20
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008367254	0	38	-1.0	-63.50	334.31	4.81	-58.69
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367255	0	44	-1.0	-54.74	354.11	6.35	-48.39
CC(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367256	0	41	-1.0	-54.87	338.13	5.96	-48.91
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367257	0	43	-1.0	-57.48	374.23	1.99	-55.49
CCCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367258	0	41	-1.0	-54.89	342.30	6.25	-48.64
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300008367259	0	36	-1.0	-56.70	327.84	3.99	-52.71
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300008367260	0	35	-1.0	-53.84	318.59	5.19	-48.65
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2)=C1	REAL300008367261	0	46	-1.0	-55.00	389.72	7.62	-47.38
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008367262	0	36	-1.0	-52.96	323.89	3.82	-49.14
CC1=C(C)C(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1C	REAL300008367263	0	47	-1.0	-56.43	353.50	7.12	-49.31
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300008367264	0	41	-1.0	-57.68	340.75	3.97	-53.71
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367265	0	48	-1.0	-60.26	367.79	6.04	-54.22
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008367266	0	37	-1.0	-54.50	325.69	5.37	-49.13
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367267	0	36	-1.0	-57.75	312.52	4.41	-53.34
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367268	0	50	-1.0	-53.18	380.05	7.90	-45.28
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300008367269	0	35	-1.0	-52.09	316.64	5.03	-47.06
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300008367270	0	42	-1.0	-57.44	341.85	6.51	-50.93
COC1=CC=C(OC)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367271	0	40	-1.0	-62.00	321.30	3.01	-58.99
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300008367272	0	40	-1.0	-56.44	336.66	3.23	-53.21
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300008367273	0	39	-1.0	-56.26	324.34	5.93	-50.33
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300008367274	0	40	-1.0	-56.96	332.36	6.42	-50.54
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300008367275	0	37	-1.0	-55.81	314.75	3.87	-51.94
CC(C)CCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367276	0	47	-1.0	-54.86	381.36	7.54	-47.32
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCC	REAL300008367277	0	46	-1.0	-56.21	380.37	5.07	-51.14
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367278	0	37	-1.0	-58.78	332.09	-1.01	-59.79
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300008367279	0	40	-1.0	-60.26	340.23	5.74	-54.52
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300008367280	0	40	-1.0	-61.14	339.34	5.99	-55.15
CC1=CC2=CC=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=C2N=C1	REAL300008367281	0	40	-1.0	-66.06	326.24	5.71	-60.35
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300008367282	0	38	-1.0	-59.33	326.57	4.80	-54.53
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367283	0	36	-1.0	-56.28	308.24	4.28	-52.00
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367284	0	37	-1.0	-64.83	332.99	-0.97	-65.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300008367285	0	44	-1.0	-59.46	387.81	1.92	-57.54
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367286	0	40	-1.0	-57.89	342.67	5.64	-52.25
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300008367287	0	41	-1.0	-58.35	334.06	5.27	-53.08
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300008367288	0	40	-1.0	-57.58	335.88	5.31	-52.27
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300008367289	0	40	-1.0	-61.16	335.57	6.70	-54.46
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367290	0	43	-1.0	-63.58	374.41	2.07	-61.51
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300008367291	0	44	-1.0	-62.35	365.54	3.37	-58.98
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367292	0	38	-1.0	-65.77	339.51	1.59	-64.18
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008367293	0	42	-1.0	-63.44	345.52	7.90	-55.54
CC1CC(C)CN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C1	REAL300008367294	0	43	-1.0	-57.50	337.69	4.36	-53.14
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300008367295	0	38	-1.0	-60.76	320.62	6.39	-54.37
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300008367296	0	42	-1.0	-57.50	353.79	7.44	-50.06
CC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367297	0	35	-1.0	-59.94	301.48	4.88	-55.06
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300008367298	0	46	-1.0	-57.21	372.26	6.21	-51.00
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300008367299	0	33	-1.0	-62.85	290.91	2.31	-60.54
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367300	0	36	-1.0	-57.89	307.95	4.30	-53.59
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367301	0	47	-1.0	-54.78	368.33	6.82	-47.96
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300008367302	0	35	-1.0	-55.30	315.08	5.14	-50.16
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367303	0	42	-1.0	-54.99	347.18	4.88	-50.11
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300008367304	0	35	-1.0	-62.30	318.46	5.18	-57.12
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300008367305	0	33	-1.0	-62.58	283.10	2.70	-59.88
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008367306	0	37	-1.0	-55.42	336.17	6.50	-48.92
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300008367307	0	37	-1.0	-65.49	303.37	5.07	-60.42
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300008367308	0	43	-1.0	-55.68	384.17	7.48	-48.20
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367309	0	38	-1.0	-55.60	320.96	4.40	-51.20
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300008367310	0	36	-1.0	-57.85	313.65	3.40	-54.45
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300008367311	0	35	-1.0	-55.26	306.34	4.74	-50.52
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300008367312	0	43	-1.0	-53.15	383.31	7.40	-45.75
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300008367313	0	47	-1.0	-54.54	396.08	6.17	-48.37
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C(C)C)=C1	REAL300008367314	0	59	-1.0	-55.26	440.38	10.02	-45.24
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008367315	0	48	-1.0	-58.99	389.25	7.30	-51.69
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300008367316	0	35	-1.0	-61.61	333.59	5.62	-55.99
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008367317	0	42	-1.0	-59.50	348.89	5.73	-53.77
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367318	0	37	-1.0	-54.49	323.29	5.50	-48.99
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367319	0	37	-1.0	-54.85	317.77	5.31	-49.54
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367320	0	40	-1.0	-61.15	338.81	6.42	-54.73
CC(C)CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367321	0	44	-1.0	-55.02	359.07	6.72	-48.30
COCCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367322	0	42	-1.0	-55.25	354.47	4.54	-50.71
COCCN(CCOC)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367323	0	44	-1.0	-56.69	343.89	0.91	-55.78
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367324	0	35	-1.0	-59.10	311.80	5.34	-53.76
COC1=C(C)C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300008367325	0	42	-1.0	-56.19	350.90	4.83	-51.36
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367326	0	48	-1.0	-53.67	389.82	6.36	-47.31
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300008367327	0	46	-1.0	-54.72	371.96	6.22	-48.50
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367328	0	45	-1.0	-53.78	370.85	5.75	-48.03
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367329	0	42	-1.0	-53.86	350.75	5.05	-48.81
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300008367330	0	36	-1.0	-56.77	323.45	3.88	-52.89
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300008367331	0	36	-1.0	-56.89	334.87	4.16	-52.73
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300008367332	0	39	-1.0	-56.93	328.65	4.06	-52.87
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300008367333	0	45	-1.0	-56.57	368.46	5.61	-50.96
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300008367334	0	39	-1.0	-58.10	324.54	4.12	-53.98
COCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367335	0	43	-1.0	-55.95	362.88	3.53	-52.42
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC=C1F	REAL300008367336	0	35	-1.0	-58.16	306.02	4.75	-53.41
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367337	0	35	-1.0	-55.50	315.68	5.52	-49.98
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300008367338	0	40	-1.0	-61.63	329.95	6.86	-54.77
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367339	0	41	-1.0	-68.00	355.00	2.44	-65.56
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300008367340	0	44	-1.0	-57.19	386.91	1.88	-55.31
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367341	0	40	-1.0	-57.78	354.52	0.20	-57.58
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367342	0	40	-1.0	-58.66	336.93	2.39	-56.27
CC1=NC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300008367343	0	34	-1.0	-61.80	304.36	2.41	-59.39
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300008367344	0	35	-1.0	-55.88	315.58	5.36	-50.52
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300008367345	0	36	-1.0	-54.76	315.30	3.40	-51.36
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300008367346	0	42	-1.0	-60.27	353.00	7.48	-52.79
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300008367347	0	35	-1.0	-60.27	335.76	5.69	-54.58
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])S2)=CS1	REAL300008367348	0	38	-1.0	-56.90	358.25	4.63	-52.27
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300008367349	0	52	-1.0	-53.62	412.48	7.65	-45.97
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367350	0	40	-1.0	-64.70	324.83	5.73	-58.97
CNC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CN1C	REAL300008367351	0	40	-1.0	-58.45	343.25	1.66	-56.79
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300008367352	0	42	-1.0	-52.67	333.25	4.87	-47.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300008367353	0	43	-1.0	-57.25	363.35	8.14	-49.11
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300008367354	0	42	-1.0	-59.24	343.96	4.95	-54.29
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300008367355	0	40	-1.0	-57.02	323.42	5.11	-51.91
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300008367356	0	37	-1.0	-59.70	315.93	4.58	-55.12
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])=C2	REAL300008367357	0	45	-1.0	-59.11	378.90	7.86	-51.25
CCN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008367358	0	37	-1.0	-58.01	329.64	4.90	-53.11
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300008367359	0	39	-1.0	-54.85	348.82	4.72	-50.13
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008367360	0	46	-1.0	-55.13	389.16	7.32	-47.81
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367361	0	40	-1.0	-69.06	341.89	5.34	-63.72
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300008367362	0	42	-1.0	-56.16	365.40	5.59	-50.57
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300008367363	0	35	-1.0	-71.77	306.98	3.21	-68.56
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367364	0	54	-1.0	-60.16	411.56	6.75	-53.41
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367365	0	40	-1.0	-62.85	351.47	0.74	-62.11
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300008367366	0	35	-1.0	-63.08	308.14	4.74	-58.34
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008367367	0	45	-1.0	-59.10	370.75	6.65	-52.45
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367368	0	42	-1.0	-61.04	331.04	5.14	-55.90
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300008367369	0	37	-1.0	-71.97	326.24	4.20	-67.77
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300008367370	0	39	-1.0	-57.51	339.97	5.14	-52.37
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367371	0	46	-1.0	-55.89	384.73	4.49	-51.40
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367372	0	48	-1.0	-53.69	393.74	6.62	-47.07
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300008367373	0	42	-1.0	-57.32	333.03	6.63	-50.69
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300008367374	0	38	-1.0	-56.94	325.41	5.81	-51.13
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300008367375	0	36	-1.0	-53.89	334.29	5.49	-48.40
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300008367376	0	37	-1.0	-55.89	315.14	3.31	-52.58
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300008367377	0	40	-1.0	-65.31	341.78	5.29	-60.02
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300008367378	0	38	-1.0	-68.05	319.73	0.35	-67.70
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300008367379	0	37	-1.0	-62.25	327.87	4.21	-58.04
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300008367380	0	42	-1.0	-57.68	345.70	5.13	-52.55
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367381	0	40	-1.0	-60.44	355.79	0.19	-60.25
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300008367382	0	36	-1.0	-56.95	299.99	3.94	-53.01
CSC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367383	0	36	-1.0	-53.82	318.10	5.05	-48.77
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300008367384	0	38	-1.0	-61.10	340.73	5.68	-55.42
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367385	0	43	-1.0	-59.07	344.14	5.63	-53.44
CCN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])N=C1C	REAL300008367386	0	38	-1.0	-65.76	324.40	3.87	-61.89
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300008367387	0	38	-1.0	-59.68	322.83	3.66	-56.02
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300008367388	0	37	-1.0	-58.14	315.84	4.46	-53.68
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300008367389	0	44	-1.0	-59.04	371.56	6.00	-53.04
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300008367390	0	38	-1.0	-57.82	333.23	5.59	-52.23
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008367391	0	38	-1.0	-60.00	352.46	4.77	-55.23
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300008367392	0	41	-1.0	-59.18	343.96	5.62	-53.56
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300008367393	0	40	-1.0	-54.33	345.46	3.73	-50.60
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367394	0	39	-1.0	-59.65	345.58	4.60	-55.05
COCC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367395	0	39	-1.0	-58.11	333.87	3.79	-54.32
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=C2O1	REAL300008367396	0	43	-1.0	-63.62	341.75	5.23	-58.39
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300008367397	0	35	-1.0	-57.10	314.30	5.16	-51.94
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300008367398	0	44	-1.0	-64.46	375.38	2.63	-61.83
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300008367399	0	39	-1.0	-60.46	348.52	4.51	-55.95
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008367400	0	40	-1.0	-58.67	339.79	4.66	-54.01
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300008367401	0	35	-1.0	-60.38	329.47	5.61	-54.77
CC1CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300008367402	0	40	-1.0	-55.12	335.89	4.64	-50.48
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367403	0	44	-1.0	-56.50	337.00	7.27	-49.23
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367404	0	44	-1.0	-65.60	367.07	2.93	-62.67
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300008367405	0	43	-1.0	-54.94	385.04	7.46	-47.48
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008367406	0	38	-1.0	-62.09	345.23	4.75	-57.34
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008367407	0	38	-1.0	-59.76	362.78	5.22	-54.54
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2)=CO1	REAL300008367408	0	41	-1.0	-56.91	354.30	3.10	-53.81
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300008367409	0	35	-1.0	-56.12	317.78	2.90	-53.22
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008367410	0	35	-1.0	-59.17	309.40	4.41	-54.76
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300008367411	0	35	-1.0	-56.05	304.86	2.68	-53.37
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300008367412	0	35	-1.0	-52.89	306.01	0.70	-52.19
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300008367413	0	40	-1.0	-56.55	332.88	4.64	-51.91
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300008367414	0	39	-1.0	-44.56	318.24	5.70	-38.86
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=N2)C=C1	REAL300008367415	0	42	-1.0	-55.44	361.31	5.81	-49.63
CC1CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300008367416	0	40	-1.0	-54.91	353.33	5.16	-49.75
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008367417	0	37	-1.0	-52.51	323.02	5.25	-47.26
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300008367418	0	43	-1.0	-60.73	367.15	4.78	-55.95
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300008367419	0	34	-1.0	-54.22	310.83	3.50	-50.72
CN(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367420	0	40	-1.0	-56.65	329.40	4.44	-52.21
CC1=CC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2C=C1	REAL300008367421	0	41	-1.0	-58.00	346.84	6.95	-51.05
COC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])SC=C1	REAL300008367422	0	33	-1.0	-62.13	299.15	3.03	-59.10
CN(C)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367423	0	40	-1.0	-56.37	329.01	4.42	-51.95
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300008367424	0	37	-1.0	-62.78	302.71	3.93	-58.85
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300008367425	0	37	-1.0	-63.49	325.63	4.03	-59.46
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300008367426	0	37	-1.0	-56.85	314.62	3.86	-52.99
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300008367427	0	38	-1.0	-58.53	338.46	5.91	-52.62
CN1CCCC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300008367428	0	44	-1.0	-57.60	353.61	4.57	-53.03
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300008367429	0	34	-1.0	-52.73	313.55	3.24	-49.49
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367430	0	40	-1.0	-64.44	332.02	4.61	-59.83
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367431	0	40	-1.0	-53.83	339.20	5.97	-47.86
CC1=CC=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300008367432	0	40	-1.0	-62.46	335.19	6.99	-55.47
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300008367433	0	40	-1.0	-62.33	340.62	6.04	-56.29
COC1=CC=C(CCS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367434	0	42	-1.0	-59.81	351.23	4.69	-55.12
COC1=CN=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367435	0	35	-1.0	-55.97	304.19	1.51	-54.46
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300008367436	0	41	-1.0	-56.38	351.50	5.66	-50.72
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300008367437	0	39	-1.0	-56.84	328.86	6.13	-50.71
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(OC)=C1	REAL300008367438	0	40	-1.0	-59.44	338.58	2.65	-56.79
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1CCCCC1	REAL300008367439	0	44	-1.0	-60.66	344.58	5.66	-55.00
CC1=CC=C(CCS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367440	0	41	-1.0	-60.25	345.20	6.15	-54.10
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])OCO2	REAL300008367441	0	38	-1.0	-61.32	320.62	3.60	-57.72
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300008367442	0	35	-1.0	-62.32	294.14	4.08	-58.24
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300008367443	0	36	-1.0	-54.39	325.11	3.90	-50.49
CN1C=NC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300008367444	0	38	-1.0	-64.85	327.39	5.36	-59.49
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008367445	0	40	-1.0	-67.62	331.65	5.90	-61.72
CC1=NC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2O1	REAL300008367446	0	37	-1.0	-57.34	322.75	1.67	-55.67
CCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1CC	REAL300008367447	0	44	-1.0	-57.25	355.85	6.64	-50.61
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367448	0	40	-1.0	-49.64	332.05	6.24	-43.40
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367449	0	42	-1.0	-60.04	340.47	5.71	-54.33
CC1=C(C)SC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367450	0	35	-1.0	-57.58	312.48	4.41	-53.17
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367451	0	33	-1.0	-54.41	301.92	1.88	-52.53
CCC1=NC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300008367452	0	34	-1.0	-54.02	308.59	2.60	-51.42
CN(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300008367453	0	39	-1.0	-55.83	327.60	3.83	-52.00
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300008367454	0	35	-1.0	-61.67	308.24	4.23	-57.44
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300008367455	0	38	-1.0	-63.27	327.15	5.43	-57.84
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300008367456	0	35	-1.0	-59.99	293.30	2.51	-57.48
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300008367457	0	38	-1.0	-54.29	326.60	5.37	-48.92
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300008367458	0	39	-1.0	-60.09	335.60	3.79	-56.30
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300008367459	0	45	-1.0	-63.20	378.45	5.54	-57.66
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300008367460	0	36	-1.0	-62.57	318.13	4.11	-58.46
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300008367461	0	34	-1.0	-62.89	295.51	3.80	-59.09
CC1=NC(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CS1	REAL300008367462	0	34	-1.0	-62.57	308.84	2.37	-60.20
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300008367463	0	35	-1.0	-60.49	319.25	5.22	-55.27
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300008367464	0	35	-1.0	-53.92	314.56	5.12	-48.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300008367465	0	38	-1.0	-66.75	327.26	5.00	-61.75
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2)=N1	REAL300008367466	0	41	-1.0	-56.37	364.14	5.50	-50.87
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300008367467	0	40	-1.0	-62.29	331.40	5.19	-57.10
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300008367468	0	39	-1.0	-63.67	344.27	1.87	-61.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300008367469	0	41	-1.0	-57.84	341.40	4.39	-53.45
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300008367470	0	35	-1.0	-57.62	320.56	5.23	-52.39
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367471	0	57	-1.0	-55.71	459.94	8.96	-46.75
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367472	0	45	-1.0	-57.95	369.66	5.70	-52.25
COC(CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])C1CCCC1	REAL300008367473	0	45	-1.0	-60.04	349.72	4.29	-55.75
COC(CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300008367474	0	48	-1.0	-57.11	366.43	4.69	-52.42
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300008367475	0	46	-1.0	-58.72	395.41	7.38	-51.34
CCOC(CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])C1CC1	REAL300008367476	0	42	-1.0	-60.86	343.06	4.25	-56.61
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008367477	0	51	-1.0	-56.36	410.59	7.07	-49.29
CCC1=NC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300008367478	0	45	-1.0	-61.02	373.58	5.81	-55.21
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300008367479	0	35	-1.0	-55.05	318.67	3.51	-51.54
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008367480	0	40	-1.0	-54.99	343.82	6.38	-48.61
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367481	0	39	-1.0	-53.37	324.94	3.87	-49.50
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300008367482	0	45	-1.0	-45.52	381.23	6.20	-39.32
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367483	0	35	-1.0	-51.06	320.71	2.63	-48.43
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300008367484	0	43	-1.0	-58.43	378.51	8.12	-50.31
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008367485	0	42	-1.0	-60.63	345.70	7.45	-53.18
CCC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(C)C=C1OC	REAL300008367486	0	45	-1.0	-59.34	366.24	5.59	-53.75
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300008367487	0	38	-1.0	-51.94	349.11	5.91	-46.03
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300008367488	1	34	-1.0	-65.47	306.69	3.03	-62.44
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300008367489	0	41	-1.0	-60.55	329.62	7.07	-53.48
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300008367490	0	41	-1.0	-52.79	348.00	2.56	-50.23
COC1=C(F)C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367491	0	36	-1.0	-56.71	314.34	4.03	-52.68
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008367492	0	48	-1.0	-56.82	389.14	6.27	-50.55
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300008367493	0	44	-1.0	-51.72	356.15	6.28	-45.44
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300008367494	0	51	-1.0	-61.21	404.38	8.51	-52.70
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367495	0	42	-1.0	-53.71	336.24	4.00	-49.71
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300008367496	0	44	-1.0	-61.58	342.32	4.00	-57.58
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300008367497	0	42	-1.0	-55.01	346.85	4.37	-50.64
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367498	0	35	-1.0	-49.46	310.90	2.81	-46.65
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367499	0	39	-1.0	-60.31	335.26	4.15	-56.16
C=CCCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367500	0	42	-1.0	-54.86	355.11	6.81	-48.05
CCC1=NN(C)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367501	0	38	-1.0	-55.58	325.06	3.07	-52.51
CCCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008367502	0	54	-1.0	-56.33	432.09	7.85	-48.48
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300008367503	0	36	-1.0	-57.98	328.27	5.73	-52.25
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300008367504	0	54	-1.0	-56.55	423.15	7.72	-48.83
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1CC	REAL300008367505	0	48	-1.0	-56.21	393.63	6.52	-49.69
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367506	0	38	-1.0	-50.99	321.41	6.12	-44.87
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367507	0	38	-1.0	-56.68	336.34	5.99	-50.69
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300008367508	0	36	-1.0	-58.72	325.72	5.63	-53.09
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367509	0	41	-1.0	-57.64	331.83	6.53	-51.11
COC1=NC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367510	0	35	-1.0	-59.72	289.67	1.07	-58.65
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367511	0	48	-1.0	-57.72	392.49	6.79	-50.93
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300008367512	0	37	-1.0	-60.05	315.82	4.57	-55.48
CC1=CSC(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367513	0	35	-1.0	-53.32	300.15	4.65	-48.67
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300008367514	0	39	-1.0	-57.19	329.31	3.69	-53.50
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300008367515	0	39	-1.0	-53.24	327.05	3.89	-49.35
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300008367516	0	42	-1.0	-45.74	347.66	4.46	-41.28
CC1(C)COC2=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=NN2C1	REAL300008367517	0	43	-1.0	-60.09	340.32	1.81	-58.28
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008367518	0	38	-1.0	-55.18	345.47	4.92	-50.26
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2CCCCN12	REAL300008367519	0	39	-1.0	-56.96	319.18	4.11	-52.85
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008367520	0	57	-1.0	-56.30	453.59	8.63	-47.67
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300008367521	0	48	-1.0	-60.02	379.57	6.05	-53.97
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367522	0	42	-1.0	-59.04	353.39	5.37	-53.67
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300008367523	0	55	-1.0	-58.45	444.57	6.49	-51.96
CC1CC2=CC=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=C2O1	REAL300008367524	0	40	-1.0	-61.75	336.78	4.61	-57.14
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300008367525	0	40	-1.0	-53.99	347.29	3.67	-50.32
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008367526	0	38	-1.0	-60.31	332.11	4.67	-55.64
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367527	0	37	-1.0	-66.43	320.09	3.60	-62.83
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300008367528	0	41	-1.0	-58.75	325.00	4.00	-54.75
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300008367529	0	36	-1.0	-60.10	320.50	4.00	-56.10
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300008367530	0	33	-1.0	-50.42	293.67	2.79	-47.63
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300008367531	0	35	-1.0	-58.44	317.64	5.51	-52.93
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367532	0	39	-1.0	-51.49	330.00	3.76	-47.73
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300008367533	0	41	-1.0	-52.94	332.12	6.28	-46.66
COC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1OC	REAL300008367534	0	40	-1.0	-59.56	337.38	3.85	-55.71
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300008367535	0	35	-1.0	-58.22	294.02	3.72	-54.50
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300008367536	0	45	-1.0	-57.12	368.37	4.92	-52.20
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367537	0	44	-1.0	-54.65	357.88	4.60	-50.05
CCCCN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=N1	REAL300008367538	0	44	-1.0	-48.68	363.03	4.60	-44.08
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300008367539	0	39	-1.0	-50.96	333.93	3.87	-47.09
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300008367540	0	36	-1.0	-57.35	317.15	3.61	-53.74
CN1N=NC2=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=CC=C21	REAL300008367541	0	37	-1.0	-71.17	309.85	2.38	-68.79
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300008367542	0	38	-1.0	-59.08	333.89	6.10	-52.98
CC1(C)CCCN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C1	REAL300008367543	0	43	-1.0	-58.26	334.03	4.45	-53.81
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300008367544	0	38	-1.0	-53.95	347.86	5.17	-48.78
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300008367545	0	42	-1.0	-57.64	352.17	4.39	-53.25
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367546	0	50	-1.0	-59.37	389.41	7.90	-51.47
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300008367547	0	38	-1.0	-53.97	350.00	5.95	-48.02
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300008367548	0	42	-1.0	-55.38	353.61	4.64	-50.74
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300008367549	0	36	-1.0	-58.07	315.31	5.20	-52.87
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300008367550	0	43	-1.0	-60.67	360.08	6.66	-54.01
COC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300008367551	0	41	-1.0	-71.01	343.69	5.22	-65.79
CCCC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367552	0	41	-1.0	-57.70	343.19	6.28	-51.42
CN1N=C2CCCC2=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367553	0	39	-1.0	-53.66	324.78	3.54	-50.12
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367554	0	41	-1.0	-52.13	323.13	3.71	-48.42
CC(C)(C)N1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300008367555	0	41	-1.0	-56.81	343.62	3.74	-53.07
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300008367556	0	39	-1.0	-56.29	329.11	3.06	-53.23
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300008367557	0	37	-1.0	-53.48	329.77	3.78	-49.70
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300008367558	0	35	-1.0	-52.32	322.96	5.08	-47.24
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367559	0	43	-1.0	-68.81	363.38	6.10	-62.71
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300008367560	0	43	-1.0	-58.37	349.27	7.07	-51.30
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300008367561	0	38	-1.0	-55.40	342.06	5.07	-50.33
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300008367562	0	38	-1.0	-56.40	320.00	4.40	-52.00
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300008367563	0	39	-1.0	-58.92	330.00	2.35	-56.57
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367564	0	42	-1.0	-53.26	374.10	4.80	-48.46
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008367565	0	32	-1.0	-55.65	295.15	4.30	-51.35
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300008367566	0	39	-1.0	-57.84	328.35	6.11	-51.73
COC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=CS1	REAL300008367567	0	33	-1.0	-59.58	287.49	2.50	-57.08
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300008367568	0	42	-1.0	-52.18	338.37	4.47	-47.71
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367569	0	41	-1.0	-51.90	330.56	3.66	-48.24
CN(C1CCCCCC1)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367570	0	46	-1.0	-55.89	341.04	4.75	-51.14
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300008367571	0	46	-1.0	-58.64	376.65	3.10	-55.54
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367572	0	38	-1.0	-55.80	332.35	5.54	-50.26
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300008367573	0	36	-1.0	-57.03	317.15	3.61	-53.42
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300008367574	0	47	-1.0	-57.55	371.18	6.55	-51.00
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300008367575	0	33	-1.0	-56.13	302.63	2.46	-53.67
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300008367576	0	43	-1.0	-67.03	350.21	6.36	-60.67
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300008367577	0	40	-1.0	-58.28	333.90	4.08	-54.20
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CCF)N=C1	REAL300008367578	0	35	-1.0	-55.42	312.10	2.72	-52.70
CCOCC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367579	0	42	-1.0	-59.47	355.73	4.76	-54.71
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367580	0	42	-1.0	-54.01	358.33	5.28	-48.73
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300008367581	0	45	-1.0	-56.65	365.79	4.97	-51.68
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300008367582	0	43	-1.0	-55.07	368.31	6.94	-48.13
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1CF	REAL300008367583	0	35	-1.0	-62.16	299.44	5.10	-57.06
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300008367584	0	38	-1.0	-54.55	337.26	5.77	-48.78
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300008367585	0	41	-1.0	-60.94	338.29	6.91	-54.03
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300008367586	0	42	-1.0	-57.81	351.39	5.43	-52.38
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300008367587	0	36	-1.0	-57.23	317.95	5.28	-51.95
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300008367588	0	36	-1.0	-57.99	332.83	5.83	-52.16
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300008367589	0	36	-1.0	-56.64	332.83	5.84	-50.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300008367590	0	37	-1.0	-66.11	320.53	-2.07	-68.18
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300008367591	0	35	-1.0	-57.86	304.60	4.41	-53.45
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1CCC(F)(F)CC1	REAL300008367592	0	38	-1.0	-42.24	314.92	4.44	-37.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300008367593	0	34	-1.0	-58.08	308.33	3.35	-54.73
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCOC1CCOC1	REAL300008367594	0	40	-1.0	-60.06	333.30	1.18	-58.88
CC1=NC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008367595	0	41	-1.0	-55.18	351.13	3.00	-52.18
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300008367596	0	49	-1.0	-62.22	354.91	6.85	-55.37
CC1(C)COC(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C1	REAL300008367597	0	42	-1.0	-63.47	338.03	3.26	-60.21
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300008367598	0	35	-1.0	-68.86	309.66	-0.33	-69.19
CC(C)(CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])C(C)(F)F	REAL300008367599	0	40	-1.0	-58.07	317.51	4.45	-53.62
CS(=O)(=O)CCCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367600	0	40	-1.0	-69.58	348.52	0.80	-68.78
CC1(C)CCC(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])OC1	REAL300008367601	0	45	-1.0	-63.75	352.60	4.10	-59.65
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300008367602	0	42	-1.0	-60.53	349.07	6.26	-54.27
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300008367603	0	36	-1.0	-63.90	326.50	3.00	-60.90
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300008367604	0	42	-1.0	-63.05	361.21	6.86	-56.19
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300008367605	0	41	-1.0	-66.65	333.20	1.32	-65.33
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300008367606	0	45	-1.0	-59.80	345.20	5.97	-53.83
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300008367607	0	36	-1.0	-57.48	322.63	5.33	-52.15
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300008367608	0	54	-1.0	-56.76	408.76	8.20	-48.56
COC1=CC=C(C=C(C)S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367609	0	43	-1.0	-57.87	351.69	4.88	-52.99
COC1=CSC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1OC	REAL300008367610	0	37	-1.0	-56.72	328.55	2.74	-53.98
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300008367611	0	44	-1.0	-56.62	334.91	4.30	-52.32
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367612	0	43	-1.0	-58.22	358.11	5.88	-52.34
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300008367613	0	36	-1.0	-58.45	328.61	4.83	-53.62
COC1=CC(F)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300008367614	0	36	-1.0	-57.02	315.43	3.59	-53.43
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300008367615	0	36	-1.0	-58.66	323.41	3.67	-54.99
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367616	0	38	-1.0	-54.29	322.33	3.96	-50.33
CN1C=CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300008367617	0	39	-1.0	-60.82	332.85	5.78	-55.04
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300008367618	0	41	-1.0	-55.70	358.01	4.50	-51.20
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367619	0	45	-1.0	-55.07	367.57	6.26	-48.81
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300008367620	0	43	-1.0	-59.55	366.62	6.87	-52.68
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367621	0	38	-1.0	-64.22	312.73	5.91	-58.31
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008367622	0	33	-1.0	-58.37	306.35	2.81	-55.56
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367623	0	43	-1.0	-60.02	361.24	5.64	-54.38
CCN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300008367624	0	42	-1.0	-50.86	355.64	4.73	-46.13
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300008367625	0	36	-1.0	-59.16	313.40	3.21	-55.95
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300008367626	0	38	-1.0	-55.75	342.21	6.82	-48.93
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300008367627	0	42	-1.0	-55.29	370.02	7.93	-47.36
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008367628	0	31	-1.0	-58.67	306.61	2.03	-56.64
CCC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300008367629	0	38	-1.0	-53.75	337.83	5.95	-47.80
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367630	0	45	-1.0	-46.70	363.47	4.99	-41.71
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CS1	REAL300008367631	0	29	-1.0	-52.93	287.37	3.52	-49.41
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367632	0	46	-1.0	-60.92	368.18	4.22	-56.70
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300008367633	0	38	-1.0	-47.85	336.07	6.77	-41.08
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367634	0	40	-1.0	-53.09	328.48	1.67	-51.42
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300008367635	0	39	-1.0	-59.21	321.75	6.22	-52.99
CC1(C)CCN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300008367636	0	43	-1.0	-56.54	329.82	4.07	-52.47
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300008367637	0	47	-1.0	-55.84	379.76	4.41	-51.43
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367638	0	35	-1.0	-55.57	307.52	1.57	-54.00
COC1=NC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300008367639	0	38	-1.0	-54.69	326.26	1.41	-53.28
CC(C)CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300008367640	0	41	-1.0	-55.32	346.82	4.12	-51.20
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367641	0	41	-1.0	-58.00	343.57	3.73	-54.27
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300008367642	0	42	-1.0	-41.59	326.41	1.27	-40.32
COCC1=CC(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=NO1	REAL300008367643	0	38	-1.0	-62.43	332.88	1.84	-60.59
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008367644	0	37	-1.0	-59.38	330.16	6.16	-53.22
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])N=C1	REAL300008367645	0	43	-1.0	-56.83	351.54	4.41	-52.42
CC(C)N1N=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367646	0	38	-1.0	-53.43	320.72	3.27	-50.16
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300008367647	0	39	-1.0	-45.93	330.53	3.87	-42.06
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300008367648	0	39	-1.0	-53.61	334.52	5.29	-48.32
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300008367649	0	34	-1.0	-57.32	307.34	2.94	-54.38
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300008367650	0	37	-1.0	-65.33	314.28	4.36	-60.97
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300008367651	0	41	-1.0	-60.76	344.27	3.79	-56.97
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300008367652	0	46	-1.0	-55.20	386.77	7.57	-47.63
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300008367653	0	37	-1.0	-63.60	316.21	4.54	-59.06
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1CC=C(Br)CC1	REAL300008367654	0	35	-1.0	-56.27	308.60	3.67	-52.60
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367655	0	40	-1.0	-53.11	335.78	-0.26	-53.37
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1CC2CCC(C1)O2	REAL300008367656	0	39	-1.0	-56.14	308.45	2.07	-54.07
N#CC1CCN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300008367657	0	38	-1.0	-48.18	306.61	3.05	-45.13
COC1=CC=NC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367658	0	35	-1.0	-59.61	304.86	1.44	-58.17
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C(F)F)=C1	REAL300008367659	0	39	-1.0	-55.85	329.78	4.55	-51.30
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])N=C1	REAL300008367660	0	35	-1.0	-60.03	305.05	1.40	-58.63
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367661	0	38	-1.0	-55.21	330.58	2.08	-53.13
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300008367662	0	37	-1.0	-56.14	316.27	4.46	-51.68
CCOC1=CC=CN=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300008367663	0	38	-1.0	-65.08	323.35	3.34	-61.74
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300008367664	0	40	-1.0	-64.93	321.59	5.56	-59.37
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300008367665	0	36	-1.0	-62.65	299.38	3.40	-59.25
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300008367666	0	34	-1.0	-65.10	301.97	3.65	-61.45
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300008367667	0	39	-1.0	-60.25	337.83	4.39	-55.86
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300008367668	0	45	-1.0	-60.25	368.75	6.00	-54.25
O=C([O-])CCCS(=O)(=O)N1CCC2=CC(Br)=C(F)C=C2C1	REAL300008367669	0	35	-1.0	-51.62	325.82	6.47	-45.15
O=C([O-])CCCS(=O)(=O)N1CCC2=CC(Br)=C(F)C=C2C1	REAL300008367670	0	35	-1.0	-51.62	325.82	6.47	-45.15
CN(CCC(=O)[O-])S(=O)(=O)N1CCC2=CC(Br)=C(F)C=C2C1	REAL300008367671	0	37	-1.0	-47.39	335.08	5.88	-41.51
O=C([O-])C1(S(=O)(=O)N2CCC3=CC(Br)=C(F)C=C3C2)CCC1	REAL300008367672	0	36	-1.0	-45.52	317.78	6.99	-38.53
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CCC3=CC(Br)=C(F)C=C3C2)C1	REAL300008367673	0	36	-1.0	-51.84	328.72	6.92	-44.92
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CCC2=CC(Br)=C(F)C=C2C1	REAL300008367674	0	36	-1.0	-54.69	336.45	7.17	-47.52
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CCC2=CC(Br)=C(F)C=C2C1	REAL300008367675	0	36	-1.0	-59.13	321.57	7.64	-51.49
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC(F)=C2)C[C@H]1F	REAL300008367676	0	32	-1.0	-51.97	283.78	5.11	-46.86
CC(=O)C1=CC=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367677	0	37	-1.0	-58.74	318.64	5.44	-53.30
CCC(C)C1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367678	0	44	-1.0	-51.46	356.01	7.62	-43.84
CC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)S1	REAL300008367679	0	32	-1.0	-51.66	291.15	4.83	-46.83
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(Cl)S2)C[C@H]1F	REAL300008367680	0	29	-1.0	-47.87	289.50	4.71	-43.16
COC1=CC=C(C)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367681	0	39	-1.0	-50.23	324.38	5.62	-44.61
CC1=CC=C(Br)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367682	0	35	-1.0	-47.09	305.39	6.04	-41.05
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C[C@H]1F	REAL300008367683	0	36	-1.0	-50.96	319.48	5.44	-45.52
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367684	0	38	-1.0	-59.10	338.02	2.55	-56.55
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C[C@H]1F	REAL300008367685	0	36	-1.0	-50.96	323.37	4.83	-46.13
COC1=CC(C)=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1OC	REAL300008367686	0	43	-1.0	-50.59	342.73	4.57	-46.02
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367687	0	35	-1.0	-50.15	301.25	5.93	-44.22
CN(C1CCCCC1)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367688	0	43	-1.0	-47.16	333.03	5.45	-41.71
CC1=NN(C)C(C)=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367689	0	38	-1.0	-53.14	314.20	4.03	-49.11
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C[C@H]1F	REAL300008367690	0	48	-1.0	-51.27	379.17	8.84	-42.43
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C[C@H]1F	REAL300008367691	0	38	-1.0	-52.61	325.02	4.23	-48.38
CCC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367692	0	38	-1.0	-51.80	320.23	6.47	-45.33
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC=C2Br)C[C@H]1F	REAL300008367693	0	32	-1.0	-52.28	284.98	5.27	-47.01
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC(Br)=C2)C[C@H]1F	REAL300008367694	0	32	-1.0	-51.42	298.67	5.66	-45.76
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367695	0	37	-1.0	-54.56	306.65	6.69	-47.87
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C[C@H]1F	REAL300008367696	0	38	-1.0	-49.88	342.57	7.11	-42.77
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367697	0	42	-1.0	-55.82	363.86	1.67	-54.15
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367698	0	43	-1.0	-54.51	359.80	6.86	-47.65
CC1=CC(F)=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367699	0	35	-1.0	-51.57	305.15	5.77	-45.80
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C[C@H]1F	REAL300008367700	0	38	-1.0	-51.39	326.22	5.62	-45.77
COCC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367701	0	39	-1.0	-52.96	332.40	4.76	-48.20
CCOC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=N1	REAL300008367702	0	38	-1.0	-51.68	326.37	2.66	-49.02
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367703	0	41	-1.0	-63.99	362.37	3.23	-60.76
CS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367704	0	37	-1.0	-58.86	329.56	1.14	-57.72
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C(C)=C1C	REAL300008367705	0	42	-1.0	-50.10	329.72	5.32	-44.78
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C[C@H]1F	REAL300008367706	0	35	-1.0	-57.12	325.17	6.46	-50.66
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C[C@H]1F	REAL300008367707	0	37	-1.0	-52.96	318.78	5.40	-47.56
CC1=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=NN1C	REAL300008367708	0	35	-1.0	-51.78	292.99	3.09	-48.69
CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)CC1	REAL300008367709	0	42	-1.0	-61.05	348.56	0.55	-60.50
CN(C1CCOCC1)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367710	0	41	-1.0	-47.18	324.62	3.01	-44.17
O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CC3CCC2C3)C[C@H]1F	REAL300008367711	0	38	-1.0	-48.52	302.75	4.50	-44.02
CC1=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=NN1C1=CC=CC=N1	REAL300008367712	0	41	-1.0	-55.64	344.89	5.94	-49.70
CCN1N=C(C)C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1C	REAL300008367713	0	41	-1.0	-53.07	335.66	4.99	-48.08
CC(C)N1C=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=N1	REAL300008367714	0	38	-1.0	-53.41	322.08	4.12	-49.29
CC(C)CN1C=NC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367715	0	41	-1.0	-53.50	342.37	5.99	-47.51
CC(C)N1C=NC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367716	0	38	-1.0	-53.09	323.27	5.41	-47.68
CC(C)C1=NC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=CN1	REAL300008367717	0	38	-1.0	-53.80	324.38	3.54	-50.26
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367718	0	44	-1.0	-52.81	333.21	7.97	-44.84
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367719	0	40	-1.0	-62.89	343.81	4.43	-58.46
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2CCCOC2)C[C@H]1F	REAL300008367720	0	39	-1.0	-57.13	311.17	3.76	-53.37
COC1=CC(Cl)=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1OC	REAL300008367721	0	40	-1.0	-51.82	341.54	4.43	-47.39
CC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1Br	REAL300008367722	0	35	-1.0	-49.53	320.04	6.29	-43.24
CC1=C(F)C=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367723	0	35	-1.0	-50.21	289.51	5.41	-44.80
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C[C@H]1F	REAL300008367724	0	38	-1.0	-48.98	329.63	7.83	-41.15
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C[C@H]1F	REAL300008367725	0	36	-1.0	-51.96	326.02	4.74	-47.22
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C[C@H]1F	REAL300008367726	0	39	-1.0	-53.94	338.77	6.48	-47.46
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367727	0	47	-1.0	-53.00	373.87	6.45	-46.55
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C[C@H]1F	REAL300008367728	0	35	-1.0	-53.71	311.50	5.96	-47.75
COCC1=CC=C(OC)C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367729	0	43	-1.0	-55.18	356.99	4.57	-50.61
COC1=CC=C(F)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367730	0	36	-1.0	-48.73	309.37	5.03	-43.70
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367731	0	43	-1.0	-51.36	351.21	5.42	-45.94
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1C	REAL300008367732	0	43	-1.0	-56.33	369.19	2.00	-54.33
O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C[C@H]1F	REAL300008367733	0	50	-1.0	-46.84	367.60	6.76	-40.08
CC1=NC2=C(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](F)C3)C=CC=C2C=C1	REAL300008367734	0	40	-1.0	-55.42	336.09	6.77	-48.65
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C[C@H]1F	REAL300008367735	0	40	-1.0	-56.76	345.38	7.00	-49.76
CCN(CC1CC1)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367736	0	40	-1.0	-47.10	317.95	5.12	-41.98
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C[C@H]1F	REAL300008367737	0	43	-1.0	-53.50	354.49	3.58	-49.92
CCCN1C=NC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367738	0	38	-1.0	-54.95	328.03	5.85	-49.10
COCCOCCOCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367739	0	46	-1.0	-53.42	389.06	2.42	-51.00
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCOCC2CC2)C[C@H]1F	REAL300008367740	0	39	-1.0	-53.78	328.38	4.34	-49.44
CC(COC1CCCC1)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367741	0	48	-1.0	-56.09	377.92	6.43	-49.66
CCOCC(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367742	0	41	-1.0	-56.10	333.20	4.33	-51.77
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367743	0	39	-1.0	-51.34	345.93	5.35	-45.99
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C[C@H]1F	REAL300008367744	0	40	-1.0	-52.07	339.32	2.86	-49.21
COC1=CC(Br)=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367745	0	36	-1.0	-51.17	328.12	4.95	-46.22
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C[C@H]1F	REAL300008367746	0	36	-1.0	-49.26	319.13	5.29	-43.97
COC1=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=CC=C1[N+](=O)[O-]	REAL300008367747	0	38	-1.0	-53.15	336.05	5.82	-47.33
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367748	0	38	-1.0	-50.27	323.26	6.41	-43.86
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367749	0	38	-1.0	-48.12	322.84	6.42	-41.70
CC1=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=CC=C1C(F)(F)F	REAL300008367750	0	38	-1.0	-50.49	331.76	6.54	-43.95
CC(C)C1=CC=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367751	0	41	-1.0	-54.47	330.91	7.09	-47.38
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCCN2CCOCC2)C[C@H]1F	REAL300008367752	0	44	-1.0	-49.02	351.53	2.00	-47.02
CCOC1=CC=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367753	0	39	-1.0	-53.62	328.69	5.26	-48.36
COCCN1C=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=N1	REAL300008367754	0	39	-1.0	-53.08	340.28	2.70	-50.38
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C[C@H]1F	REAL300008367755	0	39	-1.0	-56.66	341.68	5.57	-51.09
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C[C@H]1F	REAL300008367756	0	40	-1.0	-60.09	350.85	7.21	-52.88
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C[C@H]1F	REAL300008367757	0	37	-1.0	-54.36	321.73	5.46	-48.90
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C[C@H]1F	REAL300008367758	0	35	-1.0	-49.89	325.61	6.44	-43.45
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2=CC=CC=C2Br)C[C@H]1F	REAL300008367759	0	35	-1.0	-55.24	317.85	6.32	-48.92
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C[C@H]1F	REAL300008367760	0	39	-1.0	-66.03	341.94	2.89	-63.14
CC1=CC(Br)=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367761	0	35	-1.0	-51.17	320.04	6.31	-44.86
CC1=C(Br)C=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367762	0	35	-1.0	-49.11	302.36	5.89	-43.22
COCC1=CC=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367763	0	39	-1.0	-51.19	317.26	4.68	-46.51
COC1=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=CC=C1Br	REAL300008367764	0	36	-1.0	-49.88	330.48	5.06	-44.82
COC1=CC(OC)=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1Cl	REAL300008367765	0	40	-1.0	-49.47	348.42	4.83	-44.64
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C[C@H]1F	REAL300008367766	0	35	-1.0	-54.83	324.48	4.16	-50.67
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C[C@H]1F	REAL300008367767	0	35	-1.0	-52.54	319.60	3.94	-48.60
CC1(C)CC2=CC(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](F)C3)=CC=C2O1	REAL300008367768	0	43	-1.0	-52.38	354.77	6.28	-46.10
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C[C@H]1F	REAL300008367769	0	35	-1.0	-54.18	316.76	4.11	-50.07
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367770	0	43	-1.0	-53.10	353.46	3.81	-49.29
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367771	0	44	-1.0	-58.00	381.01	4.25	-53.75
CSC1=CC=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367772	0	36	-1.0	-50.27	306.66	5.71	-44.56
CCC1=CC=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367773	0	38	-1.0	-49.26	323.44	6.52	-42.74
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1F	REAL300008367774	0	40	-1.0	-55.88	359.51	1.87	-54.01
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367775	0	43	-1.0	-58.70	359.66	4.91	-53.79
CCC1=CC=C(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367776	0	41	-1.0	-57.18	346.76	7.28	-49.90
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCC2=CC=CS2)C[C@H]1F	REAL300008367777	0	35	-1.0	-49.53	316.06	5.70	-43.83
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367778	0	41	-1.0	-58.97	359.99	3.42	-55.55
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367779	0	42	-1.0	-62.04	362.62	2.37	-59.67
CC1=CC=C(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1C	REAL300008367780	0	41	-1.0	-50.25	342.75	7.03	-43.22
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1C1=CC=CC=C1	REAL300008367781	0	46	-1.0	-52.01	388.74	8.16	-43.85
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C[C@H]1F	REAL300008367782	0	36	-1.0	-49.17	329.46	5.74	-43.43
CN(C1CCCC1)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367783	0	40	-1.0	-46.91	316.92	4.83	-42.08
CC1(C)CN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)CCO1	REAL300008367784	0	41	-1.0	-47.90	326.66	3.29	-44.61
CC1=NOC(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367785	0	34	-1.0	-60.80	300.77	3.99	-56.81
CC(C)N1N=CC2=CC(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](F)C3)=CC=C21	REAL300008367786	0	44	-1.0	-54.09	368.06	6.56	-47.53
CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367787	0	39	-1.0	-56.91	344.43	-0.14	-57.05
CC1=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)OC2=CC=C(F)C=C12	REAL300008367788	0	38	-1.0	-51.04	335.54	6.29	-44.75
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C[C@H]1F	REAL300008367789	0	35	-1.0	-49.47	336.18	7.04	-42.43
CC1=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C2=CC(Cl)=CC=C2S1	REAL300008367790	0	38	-1.0	-50.11	343.92	7.87	-42.24
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C[C@H]1F	REAL300008367791	0	35	-1.0	-50.06	326.80	6.72	-43.34
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C[C@H]1F	REAL300008367792	0	38	-1.0	-50.67	331.99	7.93	-42.74
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCC2CCCO2)C[C@H]1F	REAL300008367793	0	39	-1.0	-50.28	322.66	3.88	-46.40
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C[C@H]1F	REAL300008367794	0	38	-1.0	-53.99	338.35	6.82	-47.17
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C[C@H]1F	REAL300008367795	0	43	-1.0	-52.26	361.73	6.46	-45.80
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367796	0	45	-1.0	-53.60	387.07	6.62	-46.98
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C[C@H]1F	REAL300008367797	0	43	-1.0	-55.65	380.59	2.17	-53.48
CC1=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C2=CC=CC(C)=C2S1	REAL300008367798	0	41	-1.0	-51.57	344.83	7.91	-43.66
CC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1N(C)C	REAL300008367799	0	43	-1.0	-49.21	355.17	5.75	-43.46
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCC2=CC=CC=C2Br)C[C@H]1F	REAL300008367800	0	38	-1.0	-50.35	341.98	7.05	-43.30
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=C3OCCCN3N=C2)C[C@H]1F	REAL300008367801	0	37	-1.0	-55.83	314.32	1.95	-53.88
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCOCC2CCCC2)C[C@H]1F	REAL300008367802	0	45	-1.0	-48.71	362.60	5.49	-43.22
COC1=CC(C)=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1Cl	REAL300008367803	0	39	-1.0	-48.29	329.77	5.25	-43.04
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367804	0	41	-1.0	-58.99	365.02	3.34	-55.65
CSC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1Cl	REAL300008367805	0	36	-1.0	-50.00	335.76	6.57	-43.43
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367806	0	44	-1.0	-51.66	353.47	5.43	-46.23
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C[C@H]1F	REAL300008367807	0	40	-1.0	-54.77	351.71	3.66	-51.11
CCC1=NOC2=NC=C(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](F)C3)C=C12	REAL300008367808	0	39	-1.0	-54.78	338.57	2.74	-52.04
CN1N=CC2=CC(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](F)C3)=CN=C21	REAL300008367809	0	37	-1.0	-54.47	324.88	4.22	-50.25
CCC1=CC(CC)=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C(CC)=C1	REAL300008367810	0	50	-1.0	-49.79	370.74	9.06	-40.73
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CN3CCCCC3=N2)C[C@H]1F	REAL300008367811	0	39	-1.0	-55.73	323.59	5.05	-50.68
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C[C@H]1F	REAL300008367812	0	38	-1.0	-52.04	345.95	3.12	-48.92
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C[C@H]1F	REAL300008367813	0	41	-1.0	-61.05	342.98	8.82	-52.23
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C(C)=C1F	REAL300008367814	0	39	-1.0	-52.75	318.72	4.71	-48.04
CC1(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)CCCCC1	REAL300008367815	0	44	-1.0	-46.76	327.70	6.53	-40.23
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C[C@H]1F	REAL300008367816	0	41	-1.0	-50.48	341.51	6.51	-43.97
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C[C@H]1F	REAL300008367818	0	40	-1.0	-52.93	346.82	6.33	-46.60
COCC1=CC(Cl)=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367819	0	39	-1.0	-51.82	349.14	5.26	-46.56
CC1=CC=C(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C(F)=C1	REAL300008367820	0	38	-1.0	-57.39	327.81	6.46	-50.93
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C[C@H]1F	REAL300008367822	0	32	-1.0	-48.40	313.10	5.28	-43.12
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C[C@H]1F	REAL300008367823	0	45	-1.0	-50.48	369.33	8.40	-42.08
CC(C)(C)C1=CC(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=NO1	REAL300008367824	0	43	-1.0	-57.79	359.21	5.76	-52.03
CC(C)(C)CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367825	0	43	-1.0	-48.02	342.64	6.04	-41.98
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C[C@H]1F	REAL300008367826	0	41	-1.0	-64.99	338.48	2.21	-62.78
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C[C@H]1F	REAL300008367827	0	35	-1.0	-50.64	313.99	5.47	-45.17
CC1=C(CCS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)SC=N1	REAL300008367828	0	37	-1.0	-56.04	326.50	4.27	-51.77
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC23CCC(CC2)C3)C[C@H]1F	REAL300008367829	0	42	-1.0	-47.83	325.09	6.60	-41.23
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2CC(F)(F)C2)C[C@H]1F	REAL300008367830	0	35	-1.0	-49.53	305.85	5.05	-44.48
COC1=CC=C2C=C(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](F)C3)CCC2=C1	REAL300008367831	0	44	-1.0	-50.98	364.47	6.80	-44.18
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC23CCC(CC2)CC3)C[C@H]1F	REAL300008367832	0	45	-1.0	-47.62	338.01	7.12	-40.50
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCC2CCOC2)C[C@H]1F	REAL300008367833	0	39	-1.0	-50.40	321.46	3.72	-46.68
CC(C)(CCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1)S(C)(=O)=O	REAL300008367834	0	43	-1.0	-59.27	353.83	2.22	-57.05
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2CCCCC2(F)F)C[C@H]1F	REAL300008367835	0	41	-1.0	-53.23	329.58	6.24	-46.99
O=C([O-])[C@@H]1CCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C[C@H]1F	REAL300008367836	0	39	-1.0	-54.71	328.03	7.16	-47.55
CCC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1[N+](=O)[O-]	REAL300008367837	0	40	-1.0	-51.66	340.21	6.85	-44.81
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C[C@H]1F	REAL300008367838	0	32	-1.0	-50.58	294.05	5.55	-45.03
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(Br)C=C2)C[C@H]1F	REAL300008367839	0	32	-1.0	-50.48	298.62	5.66	-44.82
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C[C@H]1F	REAL300008367840	0	34	-1.0	-52.03	305.54	5.70	-46.33
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C[C@H]1F	REAL300008367841	0	38	-1.0	-51.42	326.49	7.38	-44.04
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C[C@H]1F	REAL300008367842	0	34	-1.0	-53.66	308.76	5.76	-47.90
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367843	0	37	-1.0	-54.96	312.73	6.09	-48.87
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367844	0	36	-1.0	-52.48	306.82	4.33	-48.15
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C[C@H]1F	REAL300008367845	0	34	-1.0	-65.88	297.98	6.85	-59.03
CC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367846	0	35	-1.0	-49.44	301.94	5.75	-43.69
CCOC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367847	0	39	-1.0	-52.21	328.68	5.26	-46.95
CC1=CC(C)=C(C)C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1C	REAL300008367848	0	44	-1.0	-49.10	334.57	7.48	-41.62
CC1=CC(C)=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C(C)=C1	REAL300008367849	0	41	-1.0	-48.79	322.00	7.07	-41.72
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367850	0	47	-1.0	-48.56	359.97	7.73	-40.83
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C[C@H]1F	REAL300008367851	0	35	-1.0	-52.05	316.39	6.05	-46.00
CC1=CC=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367852	0	35	-1.0	-52.18	298.74	5.70	-46.48
O=C([O-])[C@@H]1CCN(S(=O)(=O)C=CC2=CC=CC=C2)C[C@H]1F	REAL300008367853	0	36	-1.0	-50.43	312.45	6.28	-44.15
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C[C@H]1F	REAL300008367854	0	35	-1.0	-48.15	301.74	6.33	-41.82
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C[C@H]1F	REAL300008367855	0	32	-1.0	-51.51	294.11	5.56	-45.95
CC(=O)C1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367856	0	37	-1.0	-55.55	320.08	5.53	-50.02
CC1=CC=C(C)C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367857	0	38	-1.0	-48.83	305.18	6.08	-42.75
CC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1C	REAL300008367858	0	38	-1.0	-52.30	315.75	6.23	-46.07
CC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C(C)=C1	REAL300008367859	0	38	-1.0	-51.94	305.94	6.09	-45.85
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1[N+](=O)[O-]	REAL300008367860	0	38	-1.0	-54.58	336.06	5.84	-48.74
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367861	0	44	-1.0	-49.14	356.74	7.40	-41.74
CC(C)C1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367862	0	41	-1.0	-51.54	337.55	6.96	-44.58
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367863	0	43	-1.0	-55.90	372.85	3.03	-52.87
CCCC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367864	0	41	-1.0	-51.68	341.73	7.25	-44.43
COC1=CC=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367865	0	36	-1.0	-50.38	302.98	4.96	-45.42
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2=CC=CC=C2)C[C@H]1F	REAL300008367866	0	35	-1.0	-49.96	304.31	5.83	-44.13
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1Br	REAL300008367867	0	36	-1.0	-50.30	330.46	5.06	-45.24
CC1=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=CC=C1Br	REAL300008367868	0	35	-1.0	-50.41	316.83	6.22	-44.19
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](F)C3)C=C2)=C1	REAL300008367869	0	46	-1.0	-52.34	389.14	8.63	-43.71
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C[C@H]1F	REAL300008367870	0	36	-1.0	-50.55	323.32	4.82	-45.73
CC1=C(C)C(C)=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C(C)=C1C	REAL300008367871	0	47	-1.0	-49.77	347.11	7.90	-41.87
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C[C@H]1F	REAL300008367872	0	41	-1.0	-53.70	340.18	4.98	-48.72
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367873	0	48	-1.0	-49.81	379.15	7.28	-42.53
CC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1[N+](=O)[O-]	REAL300008367874	0	37	-1.0	-53.87	324.74	6.28	-47.59
CC1=NNC(C)=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367875	0	35	-1.0	-51.59	293.74	2.82	-48.77
COC1=CC=C(Br)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367876	0	36	-1.0	-48.45	324.27	5.58	-42.87
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367877	0	50	-1.0	-47.76	374.09	8.65	-39.11
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C[C@H]1F	REAL300008367878	0	35	-1.0	-48.66	319.27	6.08	-42.58
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C[C@H]1F	REAL300008367879	0	42	-1.0	-51.94	340.05	7.52	-44.42
COC1=CC=C(OC)C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367880	0	40	-1.0	-50.93	332.42	4.25	-46.68
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1OC	REAL300008367881	0	40	-1.0	-52.15	339.28	4.30	-47.85
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C[C@H]1F	REAL300008367882	0	39	-1.0	-50.02	326.09	7.00	-43.02
CC1=NOC(C)=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367883	0	34	-1.0	-51.87	292.27	4.04	-47.83
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C[C@H]1F	REAL300008367884	0	40	-1.0	-50.00	335.05	7.51	-42.49
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C[C@H]1F	REAL300008367885	0	37	-1.0	-50.46	316.45	4.93	-45.53
CC(C)CCC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367886	0	47	-1.0	-51.62	380.80	8.54	-43.08
CCOC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1OCC	REAL300008367887	0	46	-1.0	-52.51	383.00	6.14	-46.37
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367888	0	37	-1.0	-57.42	331.56	-0.01	-57.43
CC1=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=CC([N+](=O)[O-])=C1C	REAL300008367889	0	40	-1.0	-54.61	338.42	6.75	-47.86
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1C	REAL300008367890	0	40	-1.0	-48.33	330.21	6.61	-41.72
O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CCCCCC2)C[C@H]1F	REAL300008367891	0	40	-1.0	-47.07	313.44	5.17	-41.90
CC1=CC2=CC=CC(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](F)C3)=C2N=C1	REAL300008367892	0	40	-1.0	-55.06	335.94	6.82	-48.24
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C([N+](=O)[O-])=C1	REAL300008367893	0	38	-1.0	-49.17	320.45	5.90	-43.27
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367894	0	36	-1.0	-47.83	317.17	5.39	-42.44
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367895	0	37	-1.0	-58.94	331.56	-0.00	-58.94
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367896	0	40	-1.0	-50.44	349.41	6.49	-43.95
O=C([O-])[C@@H]1CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C[C@H]1F	REAL300008367897	0	41	-1.0	-53.69	336.79	6.42	-47.27
CC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C2=CC=CN=C12	REAL300008367898	0	40	-1.0	-50.71	330.55	6.36	-44.35
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1C	REAL300008367899	0	40	-1.0	-51.30	332.13	7.88	-43.42
CC1CCN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)CC1	REAL300008367900	0	40	-1.0	-51.59	316.31	4.83	-46.76
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367901	0	43	-1.0	-57.30	375.29	3.13	-54.17
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C[C@H]1F	REAL300008367902	0	44	-1.0	-58.14	366.48	4.44	-53.70
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367903	0	38	-1.0	-60.65	341.25	2.62	-58.03
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C[C@H]1F	REAL300008367904	0	42	-1.0	-50.54	346.28	8.82	-41.72
CC1CC(C)CN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C1	REAL300008367905	0	43	-1.0	-48.02	336.02	5.29	-42.73
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C[C@H]1F	REAL300008367906	0	38	-1.0	-54.27	313.32	7.05	-47.22
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C[C@H]1F	REAL300008367907	0	42	-1.0	-53.01	351.51	8.44	-44.57
CC1=CC=C(F)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367908	0	35	-1.0	-47.44	290.49	5.49	-41.95
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](F)C3)C=CC=C12	REAL300008367909	0	46	-1.0	-49.89	368.85	7.26	-42.63
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C[C@H]1F	REAL300008367910	0	33	-1.0	-54.43	302.21	3.53	-50.90
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367911	0	36	-1.0	-48.45	319.70	5.48	-42.97
COC1=CC=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367912	0	36	-1.0	-53.35	306.87	4.34	-49.01
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367913	0	47	-1.0	-51.37	367.75	7.82	-43.55
CC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1Cl	REAL300008367914	0	35	-1.0	-49.50	316.01	6.21	-43.29
CC(C)OC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367915	0	42	-1.0	-52.05	346.59	5.89	-46.16
CCC1=CC=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367916	0	38	-1.0	-48.63	306.11	6.73	-41.90
CC1=CC=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367917	0	35	-1.0	-48.65	283.98	5.36	-43.29
CC1=NC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=CN1C	REAL300008367918	0	35	-1.0	-58.74	300.90	3.93	-54.81
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C[C@H]1F	REAL300008367919	0	35	-1.0	-49.94	321.05	6.34	-43.60
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC3=NON=C32)C[C@H]1F	REAL300008367920	0	33	-1.0	-57.22	295.61	3.87	-53.35
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C[C@H]1F	REAL300008367921	0	37	-1.0	-57.91	313.64	5.93	-51.98
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367922	0	38	-1.0	-49.04	328.64	5.53	-43.51
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1F	REAL300008367923	0	36	-1.0	-51.26	316.27	4.47	-46.79
CC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1F	REAL300008367924	0	35	-1.0	-50.22	307.27	5.80	-44.42
CC1=CC=C(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367925	0	38	-1.0	-56.37	322.49	6.43	-49.94
CC1CCCCN1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367926	0	40	-1.0	-46.98	307.13	4.82	-42.16
CCCN(CCC)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367927	0	42	-1.0	-51.30	337.54	5.40	-45.90
CC(C)OC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C2=CC=CC=C12	REAL300008367928	0	48	-1.0	-50.38	383.64	8.33	-42.05
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C[C@H]1F	REAL300008367929	0	35	-1.0	-49.10	336.26	6.81	-42.29
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C2=CC=CC=C12	REAL300008367930	0	42	-1.0	-50.61	343.59	6.75	-43.86
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367931	0	37	-1.0	-51.19	312.80	6.10	-45.09
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367932	0	37	-1.0	-53.11	307.23	5.91	-47.20
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367933	0	40	-1.0	-53.86	338.50	7.51	-46.35
CC(C)CC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367934	0	44	-1.0	-51.69	358.53	7.72	-43.97
COCCC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367935	0	42	-1.0	-52.48	353.90	5.54	-46.94
COCCN(CCOC)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367936	0	44	-1.0	-51.08	355.24	2.31	-48.77
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367937	0	35	-1.0	-47.10	300.81	5.94	-41.16
COC1=C(C)C=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1C	REAL300008367938	0	42	-1.0	-51.69	350.93	5.92	-45.77
CC(C)CCOC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367939	0	48	-1.0	-51.74	389.23	7.36	-44.38
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C[C@H]1F	REAL300008367940	0	46	-1.0	-50.36	374.58	7.27	-43.09
CC(C)COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367941	0	45	-1.0	-51.80	370.28	6.75	-45.05
CCCOC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367942	0	42	-1.0	-51.89	350.18	6.06	-45.83
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1Cl	REAL300008367943	0	36	-1.0	-50.36	326.07	4.95	-45.41
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C[C@H]1F	REAL300008367944	0	36	-1.0	-51.43	335.83	5.22	-46.21
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1C	REAL300008367945	0	39	-1.0	-52.28	326.90	5.07	-47.21
CC1=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=CC=C1OC(C)C	REAL300008367946	0	45	-1.0	-51.86	366.69	6.62	-45.24
COC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C(C)=C1	REAL300008367947	0	39	-1.0	-52.11	313.99	4.72	-47.39
COCCOC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367948	0	43	-1.0	-54.35	362.29	4.53	-49.82
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2=CC=CC=C2F)C[C@H]1F	REAL300008367949	0	35	-1.0	-57.07	306.45	5.79	-51.28
CC1=CC(Br)=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367950	0	35	-1.0	-50.10	305.82	6.04	-44.06
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1C	REAL300008367951	0	40	-1.0	-63.32	321.03	7.63	-55.69
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367952	0	41	-1.0	-59.79	345.19	2.94	-56.85
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367953	0	40	-1.0	-56.56	353.95	1.20	-55.36
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367954	0	40	-1.0	-51.19	336.47	3.09	-48.10
CC1=NC(C)=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)S1	REAL300008367955	0	34	-1.0	-48.84	299.55	3.46	-45.38
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CSC3=CC=CC=C23)C[C@H]1F	REAL300008367956	0	35	-1.0	-50.20	310.13	6.22	-43.98
COC1=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=CC=C1F	REAL300008367957	0	36	-1.0	-50.68	316.28	4.47	-46.21
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C[C@H]1F	REAL300008367958	0	42	-1.0	-51.75	354.76	8.51	-43.24
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C[C@H]1F	REAL300008367959	0	35	-1.0	-47.59	335.07	6.77	-40.82
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2CCCCC2)C[C@H]1F	REAL300008367960	0	41	-1.0	-47.72	323.29	6.22	-41.50
CC1=NC(C2=CC=C(S(=O)(=O)N3CC[C@@H](C(=O)[O-])[C@H](F)C3)S2)=CS1	REAL300008367961	0	38	-1.0	-52.87	356.78	5.60	-47.27
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C[C@H]1F	REAL300008367962	0	52	-1.0	-51.78	411.90	8.65	-43.13
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367963	0	40	-1.0	-57.37	334.99	6.58	-50.79
CNC(=O)C1=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=CN1C	REAL300008367964	0	40	-1.0	-55.10	344.43	2.76	-52.34
COC1=CC(C)=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C(C)=C1	REAL300008367965	0	42	-1.0	-50.03	329.99	5.71	-44.32
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C[C@H]1F	REAL300008367966	0	43	-1.0	-53.33	361.55	9.15	-44.18
COC1=CC(C)=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1C	REAL300008367967	0	42	-1.0	-52.52	333.36	5.42	-47.10
CC1=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C2=CC=CN=C2C=C1	REAL300008367968	0	40	-1.0	-52.20	323.35	6.15	-46.05
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C[C@H]1F	REAL300008367969	0	37	-1.0	-50.46	310.48	5.65	-44.81
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1)=C2	REAL300008367970	0	45	-1.0	-54.36	380.31	8.91	-45.45
CCN1C=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C([N+](=O)[O-])=N1	REAL300008367971	0	37	-1.0	-48.32	324.87	5.65	-42.67
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C[C@H]1F	REAL300008367972	0	39	-1.0	-54.18	348.25	5.72	-48.46
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C[C@H]1F	REAL300008367973	0	46	-1.0	-53.32	388.59	8.32	-45.00
CCC(=O)C1=CC=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367974	0	40	-1.0	-59.71	340.42	6.30	-53.41
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C[C@H]1F	REAL300008367975	0	42	-1.0	-54.17	366.52	6.67	-47.50
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C[C@H]1F	REAL300008367976	0	35	-1.0	-64.59	304.92	4.22	-60.37
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367977	0	54	-1.0	-51.32	415.67	7.97	-43.35
CC1=CC=CC(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367978	0	38	-1.0	-56.25	322.49	6.42	-49.83
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367979	0	40	-1.0	-59.23	354.61	1.64	-57.59
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2=CC=CC(F)=C2)C[C@H]1F	REAL300008367980	0	35	-1.0	-50.54	310.73	5.89	-44.65
CC1=CC=CC=C1CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367981	0	38	-1.0	-55.69	316.90	6.33	-49.36
CCOC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C2=CC=CC=C12	REAL300008367982	0	45	-1.0	-50.32	365.45	7.68	-42.64
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367983	0	42	-1.0	-50.29	344.82	6.50	-43.79
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C[C@H]1F	REAL300008367984	0	37	-1.0	-57.68	326.09	5.18	-52.50
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C[C@H]1F	REAL300008367985	0	39	-1.0	-54.50	337.95	6.16	-48.34
CCOCCOC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367986	0	46	-1.0	-54.29	384.15	5.49	-48.80
CCCCCOC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367987	0	48	-1.0	-51.79	393.16	7.62	-44.17
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C[C@H]1F	REAL300008367988	0	42	-1.0	-49.25	324.78	7.21	-42.04
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C[C@H]1F	REAL300008367989	0	38	-1.0	-56.02	325.71	6.86	-49.16
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C[C@H]1F	REAL300008367990	0	36	-1.0	-50.73	333.72	6.49	-44.24
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C3COCC3=C2)C[C@H]1F	REAL300008367991	0	37	-1.0	-52.42	313.32	4.33	-48.09
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C[C@H]1F	REAL300008367992	0	40	-1.0	-55.62	344.21	6.36	-49.26
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@H]1F	REAL300008367993	0	38	-1.0	-64.34	317.66	1.37	-62.97
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C[C@H]1F	REAL300008367994	0	37	-1.0	-58.73	325.59	5.21	-53.52
CCOC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C(C)=C1	REAL300008367995	0	42	-1.0	-51.90	335.84	5.65	-46.25
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)=C1	REAL300008367996	0	40	-1.0	-56.97	354.00	1.21	-55.76
O=C([O-])[C@@H]1CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C[C@H]1F	REAL300008367997	0	36	-1.0	-51.64	312.61	5.21	-46.43
CSC1=CC=C(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](F)C2)C=C1	REAL300008367998	0	36	-1.0	-52.01	317.53	6.05	-45.96
CCCCCCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](F)C1	REAL300008367999	0	43	-1.0	-48.17	351.92	6.70	-41.47
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C[C@H]1F	REAL300008368000	0	38	-1.0	-57.33	339.82	6.75	-50.58
O=C([O-])C1(C(=O)N2CCN(C3CCCCC3)C(=O)C2)CNCCO1	REAL300008419238	1	48	-1.0	-46.30	349.12	3.71	-42.59
O=C([O-])C1CC12CCC(C(=O)N1CCN(C3CCCCC3)C(=O)C1)C2	REAL300008419240	0	52	-1.0	-52.67	381.06	9.46	-43.21
O=C([O-])C1(C(=O)N2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)CNCCO1	REAL300008419241	1	43	-1.0	-48.02	344.90	3.61	-44.41
O=C([O-])C1CC12CCC(C(=O)N1CCC(N3C=C([N+](=O)[O-])C=N3)CC1)C2	REAL300008419244	0	47	-1.0	-60.84	379.69	9.54	-51.30
O=C([O-])C1(C(=O)N2CCC(CO)(C3CCOCC3)C2)CNCCO1	REAL300008419245	1	49	-1.0	-56.06	350.47	-0.07	-56.13
O=C([O-])C1CC12CCC(C(=O)N1CCC(CO)(C3CCOCC3)C1)C2	REAL300008419248	0	53	-1.0	-60.50	383.55	5.69	-54.81
O=C([O-])C1CC12CCC(C(=O)N1C[C@@H](CO)[C@H](C3CC3)C1)C2	REAL300008419249	0	46	-1.0	-50.37	352.74	6.58	-43.79
O=C([O-])C1(C(=O)NC2CCCN(C3=CC=C(F)C(F)=C3)C2=O)CNCCO1	REAL300008419250	1	45	-1.0	-54.73	371.36	3.71	-51.02
O=C([O-])C1CC12CCC(C(=O)NC1CCCN(C3=CC=C(F)C(F)=C3)C1=O)C2	REAL300008419253	0	49	-1.0	-71.43	403.18	9.46	-61.97
O=C([O-])C1(C(=O)NCC2(C3=CC=CC=C3)NC(=O)NC2=O)CNCCO1	REAL300008419254	1	43	-1.0	-51.87	355.80	-1.30	-53.17
O=C([O-])C1CC12CCC(C(=O)NCC1(C3=CC=CC=C3)NC(=O)NC1=O)C2	REAL300008419257	0	47	-1.0	-58.37	385.79	4.45	-53.92
O=C([O-])C1(C(=O)NCC2=CNN=C2C2=CC=CC(F)=C2)CNCCO1	REAL300008419258	1	41	-1.0	-54.40	343.46	2.72	-51.68
O=C([O-])C1CC12CCC(C(=O)NCC1=CNN=C1C1=CC=CC(F)=C1)C2	REAL300008419261	0	45	-1.0	-59.31	373.15	8.88	-50.43
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419264	0	56	-1.0	-57.11	422.65	12.60	-44.51
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2(C(=O)[O-])CNCCO2)N=N1	REAL300008419265	1	45	-1.0	-52.11	373.07	-4.50	-56.61
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)C2CCC3(CC3C(=O)[O-])C2)N=N1	REAL300008419268	0	49	-1.0	-58.92	400.39	1.21	-57.71
O=C([O-])C1CC12CCC(C(=O)NC[C@]13CCC[C@H]1CCO3)C2	REAL300008419269	0	46	-1.0	-60.13	350.23	7.32	-52.81
NC1=CC=C2CCN(C(=O)C3(C(=O)[O-])CNCCO3)CC2=C1	REAL300008419270	1	40	-1.0	-49.73	308.82	2.32	-47.41
COC(=O)C1=CC(CNC(=O)C2(C(=O)[O-])CNCCO2)=C(C)S1	REAL300008419271	1	40	-1.0	-48.22	347.34	2.81	-45.41
COC(=O)C1=CC(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)=C(C)S1	REAL300008419274	0	44	-1.0	-61.35	379.24	8.56	-52.79
CC(C)N1C=C([C@@H]2CN(C(=O)C3(C(=O)[O-])CNCCO3)C[C@H]2CO)C=N1	REAL300008419275	1	51	-1.0	-60.45	393.33	1.50	-58.95
CC(C)N1C=C([C@@H]2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C[C@H]2CO)C=N1	REAL300008419278	0	55	-1.0	-59.57	425.99	7.18	-52.39
COC(=O)N1CCN(C(=O)C2(C(=O)[O-])CNCCO2)C[C@@H]1C	REAL300008419279	1	42	-1.0	-47.40	320.07	1.92	-45.48
COC(=O)N1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C[C@@H]1C	REAL300008419280	0	46	-1.0	-63.87	352.31	7.62	-56.25
COC(=O)C(CC1=CC=CS1)NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419281	1	40	-1.0	-50.72	346.32	3.34	-47.38
COC(=O)C(CC1=CC=CS1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419284	0	44	-1.0	-59.91	379.28	9.13	-50.78
COCC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)(C(=O)OC)C1=CC=CC=C1	REAL300008419287	0	51	-1.0	-60.63	408.58	8.70	-51.93
CCN(CC(=O)OCC1=CC=CC=C1)C(=O)C1(C(=O)[O-])CNCCO1	REAL300008419288	1	46	-1.0	-57.94	372.92	6.59	-51.35
CCN(CC(=O)OCC1=CC=CC=C1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419291	0	50	-1.0	-65.51	402.24	12.24	-53.27
O=C([O-])C1CC12CCC(C(=O)N1CCOCC(C3CC3)C1)C2	REAL300008419295	0	46	-1.0	-49.63	342.74	8.60	-41.03
O=C([O-])C1CC12CCC(C(=O)NC13CCOC1CCCCC3)C2	REAL300008419296	0	49	-1.0	-55.81	354.54	7.78	-48.03
O=C([O-])C1(C(=O)N2CCC3OC(=O)OC3C2)CNCCO1	REAL300008419299	1	36	-1.0	-45.46	281.75	1.50	-43.96
O=C([O-])C1CC12CCC(C(=O)N1CCC3OC(=O)OC3C1)C2	REAL300008419300	0	40	-1.0	-51.16	314.65	7.40	-43.76
COC(=O)C(C)(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C(C)C	REAL300008419301	0	46	-1.0	-56.39	350.01	7.81	-48.58
COC(=O)CC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300008419306	0	47	-1.0	-59.93	391.65	10.26	-49.67
CC1CCC(NC(=O)C2(C(=O)[O-])CNCCO2)CC2=CC=CC=C21	REAL300008419307	1	47	-1.0	-49.89	353.64	5.07	-44.82
CC1CCC(NC(=O)C2CCC3(CC3C(=O)[O-])C2)CC2=CC=CC=C21	REAL300008419309	0	51	-1.0	-60.27	385.47	10.83	-49.44
O=C([O-])C1CC12CCC(C(=O)NC1(C3=NC=CC=N3)CCOC1)C2	REAL300008419311	0	44	-1.0	-54.14	347.92	6.11	-48.03
CC(C)(CNC(=O)C1(C(=O)[O-])CNCCO1)C1=COC(C2=CC=CC=C2)=N1	REAL300008419312	1	49	-1.0	-56.95	395.49	3.07	-53.88
CC(C)(CNC(=O)C1CCC2(CC2C(=O)[O-])C1)C1=COC(C2=CC=CC=C2)=N1	REAL300008419315	0	53	-1.0	-65.66	425.40	8.78	-56.88
COC(=O)C1CN(C(=O)C2(C(=O)[O-])CNCCO2)CC(F)(F)C1	REAL300008419316	1	40	-1.0	-50.02	321.35	2.95	-47.07
COC(=O)C1CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)CC(F)(F)C1	REAL300008419318	0	44	-1.0	-57.15	355.99	8.88	-48.27
COC(=O)C1(C2CCCN(C(=O)C3(C(=O)[O-])CNCCO3)C2)CC(F)(F)C1	REAL300008419319	1	50	-1.0	-57.83	373.01	5.36	-52.47
COC(=O)C1(C2CCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2)CC(F)(F)C1	REAL300008419322	0	54	-1.0	-54.79	407.14	11.07	-43.72
O=C([O-])C1(C(=O)N2C[C@@H](F)[C@@H](C3=CC=CC=C3)C2)CNCCO1	REAL300008419323	1	41	-1.0	-59.99	321.83	5.02	-54.97
O=C([O-])C1CC12CCC(C(=O)N1C[C@@H](F)[C@@H](C3=CC=CC=C3)C1)C2	REAL300008419324	0	45	-1.0	-50.83	351.68	10.61	-40.22
O=C([O-])C1CC12CCC(C(=O)NC1(C3CCCO3)CCOCC1)C2	REAL300008419326	0	50	-1.0	-58.59	368.60	6.60	-51.99
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCCN1C	REAL300008419330	1	56	-1.0	-61.92	421.96	7.34	-54.58
COC(=O)C[C@@H](NC(=O)C1CCC2(CC2C(=O)[O-])C1)C1CCCCC1	REAL300008419333	0	53	-1.0	-54.04	401.89	10.31	-43.73
CN(CCC(=O)OCC1=CC=CC=C1)C(=O)C1(C(=O)[O-])CNCCO1	REAL300008419334	1	46	-1.0	-52.92	371.29	6.12	-46.80
CN(CCC(=O)OCC1=CC=CC=C1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419337	0	50	-1.0	-61.58	406.39	11.84	-49.74
O=C([O-])C1(C(=O)NCCC2=NC=CC(C(F)(F)F)=N2)CNCCO1	REAL300008419338	1	38	-1.0	-52.70	335.25	1.36	-51.34
O=C([O-])C1CC12CCC(C(=O)NCCC1=NC=CC(C(F)(F)F)=N1)C2	REAL300008419341	0	42	-1.0	-61.95	365.84	7.14	-54.81
O=C([O-])C1(C(=O)NC2=CN(CCN3CCOC3=O)N=C2)CNCCO1	REAL300008419342	1	43	-1.0	-63.86	357.78	0.95	-62.91
O=C([O-])C1CC12CCC(C(=O)NC1=CN(CCN3CCOC3=O)N=C1)C2	REAL300008419345	0	47	-1.0	-75.04	387.71	6.71	-68.33
COC(=O)C1=CN(CC2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCO2)N=N1	REAL300008419346	1	47	-1.0	-58.40	383.57	0.89	-57.51
COC(=O)C1=CN(CC2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCO2)N=N1	REAL300008419349	0	51	-1.0	-58.41	413.51	6.58	-51.83
COC(=O)C1=NN(C2CCCN(C(=O)C3(C(=O)[O-])CNCCO3)C2)C=C1	REAL300008419350	1	47	-1.0	-54.14	370.80	3.62	-50.52
COC(=O)C1=NN(C2CCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)C2)C=C1	REAL300008419353	0	51	-1.0	-54.79	404.08	9.48	-45.31
CN(C[C@@H]1CCCN(C)[C@H]1C1=CC=NN1C)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419357	1	59	-1.0	-64.15	434.93	9.17	-54.98
O=C([O-])C1CC12CCC(C(=O)N1CCOCC1C1=CC=CC(Cl)=C1)C2	REAL300008419362	0	46	-1.0	-46.96	363.90	9.40	-37.56
CC1=CC=NC(CCNC(=O)C2CCC3(CC3C(=O)[O-])C2)=N1	REAL300008419363	0	42	-1.0	-62.46	346.87	6.66	-55.80
CC1CC(C(N)=O)CN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008419364	0	45	-1.0	-47.65	344.88	5.33	-42.32
O=C([O-])C1(C(=O)N2CCC(C3=CC=CC=C3C(F)(F)F)C2)CNCCO1	REAL300008419365	1	44	-1.0	-52.34	351.00	5.90	-46.44
O=C([O-])C1CC12CCC(C(=O)N1CCC(C3=CC=CC=C3C(F)(F)F)C1)C2	REAL300008419368	0	48	-1.0	-49.75	380.00	11.43	-38.32
CCOC1=CC=CC=C1OC1CCN(C(=O)C2(C(=O)[O-])CNCCO2)C1	REAL300008419369	1	49	-1.0	-56.41	376.79	4.81	-51.60
CCOC1=CC=CC=C1OC1CCN(C(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008419372	0	53	-1.0	-50.66	409.06	10.44	-40.22
O=C([O-])C1CC12CCC(C(=O)N1CCCC1C1=C(F)C=CC=C1Cl)C2	REAL300008419375	0	45	-1.0	-52.99	364.71	11.77	-41.22
CC1=CC(C)=CC(C(CO)NC(=O)C2CCC3(CC3C(=O)[O-])C2)=C1	REAL300008419376	0	48	-1.0	-56.73	382.83	7.08	-49.65
O=C([O-])C1CC12CCC(C(=O)N1C[C@@H](F)C[C@@H]1C(F)(F)F)C2	REAL300008419377	0	38	-1.0	-56.61	312.74	8.43	-48.18
O=C([O-])C1(C(=O)NCCN2C=C(C3=COC=C3)C=N2)CNCCO1	REAL300008419378	1	41	-1.0	-54.03	349.06	2.08	-51.95
O=C([O-])C1CC12CCC(C(=O)NCCN1C=C(C3=COC=C3)C=N1)C2	REAL300008419380	0	45	-1.0	-65.64	378.95	7.79	-57.85
O=C([O-])C1(C(=O)N2CCOC(C(F)(F)F)(C(F)(F)F)C2)CNCCO1	REAL300008419381	1	38	-1.0	-46.01	304.84	2.39	-43.62
O=C([O-])C1CC12CCC(C(=O)N1CCOC(C(F)(F)F)(C(F)(F)F)C1)C2	REAL300008419384	0	42	-1.0	-49.73	345.29	8.27	-41.46
O=C([O-])C1(C(=O)N2C[C@H]3CCS(=O)(=O)[C@@]3(C(F)(F)F)C2)CNCCO1	REAL300008419387	1	41	-1.0	-49.79	334.67	0.54	-49.25
O=C([O-])C1CC12CCC(C(=O)N1C[C@H]3CCS(=O)(=O)[C@@]3(C(F)(F)F)C1)C2	REAL300008419390	0	45	-1.0	-71.02	367.15	6.14	-64.88
O=C([O-])C1(C(=O)NC2CCS(=O)(=O)C3(CCOCC3)C2)CNCCO1	REAL300008419391	1	48	-1.0	-52.95	364.89	-1.62	-54.57
O=C([O-])C1CC12CCC(C(=O)NC1CCS(=O)(=O)C3(CCOCC3)C1)C2	REAL300008419394	0	52	-1.0	-60.00	394.22	4.14	-55.86
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NNC=N3)C=C2)CNCCO1	REAL300008419395	1	40	-1.0	-55.47	338.97	3.27	-52.20
O=C([O-])C1CC12CCC(C(=O)NCC1=CC=C(C3=NNC=N3)C=C1)C2	REAL300008419397	0	44	-1.0	-62.60	368.87	8.97	-53.63
O=C([O-])C1(C(=O)NCC2=NOC(COC3=CC=C(Cl)C=C3)=N2)CNCCO1	REAL300008419398	1	43	-1.0	-51.79	380.01	0.93	-50.86
O=C([O-])C1(C(=O)N2CCN(C3=CC=NC=N3)CC2)CNCCO1	REAL300008419401	1	41	-1.0	-52.02	315.84	2.52	-49.50
O=C([O-])C1CC12CCC(C(=O)N1CCN(C3=CC=NC=N3)CC1)C2	REAL300008419402	0	45	-1.0	-61.26	350.30	8.28	-52.98
CC1=NC2=C(CC[C@H]3[C@@H]2CCCN3C(=O)C2CCC3(CC3C(=O)[O-])C2)N1	REAL300008419406	0	52	-1.0	-58.65	386.11	9.86	-48.79
CC1=NC2=C(N1)[C@H]1CCCN(C(=O)C3CCC4(CC4C(=O)[O-])C3)[C@H]1CC2	REAL300008419406	1	52	-1.0	-57.02	388.75	9.94	-47.08
CN1N=C(CNC(=O)C2(C(=O)[O-])CNCCO2)C(Br)=C1Cl	REAL300008419408	1	34	-1.0	-50.30	323.33	0.99	-49.31
CN1N=C(CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C(Br)=C1Cl	REAL300008419411	0	38	-1.0	-56.89	353.24	6.71	-50.18
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CC1(C)C2CCC13CCN(C(=O)C1(C(=O)[O-])CNCCO1)C3C2	REAL300008419818	1	48	-1.0	-49.61	318.78	5.24	-44.37
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CN(CC1=CN=C(N2C=CC=N2)S1)C(=O)C1(C(=O)[O-])CNCCO1	REAL300008419820	1	40	-1.0	-56.47	344.64	3.97	-52.50
CN(CC1=CN=C(N2C=CC=N2)S1)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419823	0	44	-1.0	-64.97	377.37	9.72	-55.25
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CCOC(=O)C12CC(CNC(=O)C3(C(=O)[O-])CNCCO3)(C1)OC21CCC1	REAL300008419840	1	52	-1.0	-53.42	409.03	3.32	-50.10
CCOC(=O)C12CC(CNC(=O)C3CCC4(CC4C(=O)[O-])C3)(C1)OC21CCC1	REAL300008419843	0	56	-1.0	-49.10	436.79	8.98	-40.12
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CC(C)(C1=CC=C(NC(=O)C2CCC3(CC3C(=O)[O-])C2)C=C1)S(C)(=O)=O	REAL300008419880	0	50	-1.0	-66.12	396.71	7.08	-59.04
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CN(C)CC1=NC2=CC(NC(=O)C3CCC4(CC4C(=O)[O-])C3)=CC=C2N1	REAL300008419887	0	49	-1.0	-60.23	392.08	6.11	-54.12
CN(C)CC1=NC2=CC=C(NC(=O)C3CCC4(CC4C(=O)[O-])C3)C=C2N1	REAL300008419887	1	49	-1.0	-62.92	391.20	6.29	-56.63
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CC(C)(C)COC1=CC=C2CN(C(=O)C3(C(=O)[O-])CNCCO3)CCC2=C1	REAL300008419889	1	54	-1.0	-49.40	405.53	6.78	-42.62
CC(C)(C)COC1=CC=C2CN(C(=O)C3CCC4(CC4C(=O)[O-])C3)CCC2=C1	REAL300008419892	0	58	-1.0	-55.00	440.06	12.63	-42.37
CO[C@@H]1CCO[C@H](CNC(=O)C2(C(=O)[O-])CNCCO2)C1	REAL300008419893	1	42	-1.0	-51.18	329.81	-0.57	-51.75
CO[C@@H]1CCO[C@H](CNC(=O)C2CCC3(CC3C(=O)[O-])C2)C1	REAL300008419894	0	46	-1.0	-53.94	360.72	5.15	-48.79
CN1C=CN=C1S(C)(=O)=NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419895	1	36	-1.0	-64.94	310.04	-0.43	-65.37
CN1C=CN=C1S(C)(=O)=NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419896	0	40	-1.0	-67.31	337.75	5.42	-61.89
O=C([O-])C1(C(=O)NC2=CN(CC3=CC=C(F)C=C3)N=C2)CNCCO1	REAL300008419897	1	41	-1.0	-52.45	345.83	3.79	-48.66
O=C([O-])C1CC12CCC(C(=O)NC1=CN(CC3=CC=C(F)C=C3)N=C1)C2	REAL300008419900	0	45	-1.0	-64.76	377.71	9.64	-55.12
O=C([O-])C1CC12CCC(C(=O)N1CCOCCC13CCC3)C2	REAL300008419901	0	46	-1.0	-57.29	329.12	8.23	-49.06
CN(CC1=NN(C)C=C1Br)C(=O)C1(C(=O)[O-])CNCCO1	REAL300008419902	1	37	-1.0	-50.74	315.77	2.50	-48.24
CN(CC1=NN(C)C=C1Br)C(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419905	0	41	-1.0	-57.82	345.32	8.34	-49.48
O=C([O-])C1(C(=O)NC2=NN(C3CCNC3=O)C=C2)CNCCO1	REAL300008419908	1	39	-1.0	-58.42	321.31	-0.75	-59.17
O=C([O-])C1CC12CCC(C(=O)NC1=NN(C3CCNC3=O)C=C1)C2	REAL300008419909	0	43	-1.0	-62.15	350.65	5.04	-57.11
COC1(C(F)(F)CNC(=O)C2(C(=O)[O-])CNCCO2)CCC1	REAL300008419910	1	41	-1.0	-48.17	325.09	0.97	-47.20
COC1(C(F)(F)CNC(=O)C2CCC3(CC3C(=O)[O-])C2)CCC1	REAL300008419911	0	45	-1.0	-55.14	356.52	6.71	-48.43
O=C([O-])C1(C(=O)NC2CCCC=C2Br)CNCCO1	REAL300008419912	1	35	-1.0	-50.86	290.81	2.44	-48.42
O=C([O-])C1CC12CCC(C(=O)NC1CCCC=C1Br)C2	REAL300008419914	0	39	-1.0	-60.53	322.62	8.19	-52.34
O=C([O-])C1(C(=O)[N-]C2=NC3=CC4=C(C=C3S2)OCO4)C[NH2+]CCO1	REAL300008419915	1	36	-1.0	-84.65	314.15	1.56	-83.09
[NH3+][C@@H](CCC(=O)[O-])C(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300008419916	0	34	-1.0	-76.19	306.27	1.11	-75.08
[NH3+][C@@H](CC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)[O-]	REAL300008419917	1	31	-1.0	-51.79	284.03	0.48	-51.31
O=C([O-])C1CC12CCC(C(=O)NC1=NC3=CC4=C(C=C3S1)OCO4)C2	REAL300008419918	0	40	-1.0	-55.73	344.98	7.17	-48.56
O=C([O-])C1(C(=O)NC2=CC=C3NC(=O)C(F)(F)C3=C2)CNCCO1	REAL300008419919	1	36	-1.0	-56.38	312.72	0.77	-55.61
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C3NC(=O)C(F)(F)C3=C1)C2	REAL300008419921	0	40	-1.0	-65.23	343.20	6.58	-58.65
CCN1N=C(C(C)(C)C)C=C1NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419922	1	46	-1.0	-48.88	361.94	4.20	-44.68
CCN1N=C(C(C)(C)C)C=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419923	0	50	-1.0	-48.83	389.73	9.92	-38.91
O=C([O-])C1(C(=O)NC2CC3CC2CC3(F)F)CNCCO1	REAL300008419924	1	38	-1.0	-49.21	300.11	2.59	-46.62
O=C([O-])C1CC12CCC(C(=O)NC1CC3CC1CC3(F)F)C2	REAL300008419925	0	42	-1.0	-47.51	327.36	8.87	-38.64
O=C([O-])C1(C(=O)NC(CO)CC2CCOC2)CNCCO1	REAL300008419926	1	42	-1.0	-53.18	326.47	-2.39	-55.57
O=C([O-])C1CC12CCC(C(=O)NC(CO)CC1CCOC1)C2	REAL300008419927	0	46	-1.0	-59.55	355.63	4.17	-55.38
CC(C)N1C=CC(C(C)NC(=O)C2(C(=O)[O-])CNCCO2)=N1	REAL300008419928	1	43	-1.0	-55.69	346.43	2.34	-53.35
CC(C)N1C=CC(C(C)NC(=O)C2CCC3(CC3C(=O)[O-])C2)=N1	REAL300008419929	0	47	-1.0	-58.66	376.32	8.05	-50.61
O=C([O-])C1CC12CCC(C(=O)NC1COC3CCCCC13)C2	REAL300008419930	0	46	-1.0	-48.22	348.71	7.09	-41.13
O=C([O-])C1(C(=O)NC2=CC=C(C3CCC(=O)N3)C=C2)CNCCO1	REAL300008419931	1	42	-1.0	-54.25	341.20	1.69	-52.56
O=C([O-])C1CC12CCC(C(=O)NC1=CC=C(C3CCC(=O)N3)C=C1)C2	REAL300008419933	0	46	-1.0	-61.54	371.23	7.48	-54.06
CCOC(=O)C(CC1=CC=C(OC)C=C1)NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419936	1	50	-1.0	-57.22	403.76	4.40	-52.82
CCOC(=O)C(CC1=CC=C(OC)C=C1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419939	0	54	-1.0	-62.52	438.71	10.28	-52.24
C=CCSCC(NC(=O)C1(C(=O)[O-])CNCCO1)C(=O)OC	REAL300008419940	1	41	-1.0	-57.35	356.78	3.20	-54.15
C=CCSCC(NC(=O)C1CCC2(CC2C(=O)[O-])C1)C(=O)OC	REAL300008419942	0	45	-1.0	-63.08	385.36	8.93	-54.15
O=C([O-])C1(C(=O)N[C@H]2CC3(CCCC3)OC3=CC=C(Cl)C=C32)CNCCO1	REAL300008419943	1	49	-1.0	-48.74	387.02	5.17	-43.57
O=C([O-])C1(C(=O)N[C@@H]2CC3(CCCC3)OC3=CC=C(Cl)C=C32)CNCCO1	REAL300008419946	1	49	-1.0	-52.13	386.08	5.87	-46.26
CCOC(=O)C(CC1=CC=C(C#N)C=C1)NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419949	1	47	-1.0	-58.60	395.08	5.51	-53.09
CCOC(=O)C(CC1=CC=C(C#N)C=C1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419952	0	51	-1.0	-64.68	430.03	11.39	-53.29
O=C([O-])C1(C(=O)NC2=NC=CC3=CC=CC=C32)CNCCO1	REAL300008419953	1	36	-1.0	-54.26	294.97	4.19	-50.07
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CCC1=CC=C(C(=O)OC)C=C1NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419955	1	43	-1.0	-53.70	348.62	4.41	-49.29
CCC1=CC=C(C(=O)OC)C=C1NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419957	0	47	-1.0	-54.24	378.26	10.19	-44.05
O=C([O-])C1(C(=O)NC2=NC=CC3=CC=C(Br)C=C32)CNCCO1	REAL300008419958	1	36	-1.0	-54.78	318.19	4.86	-49.92
O=C([O-])C1CC12CCC(C(=O)NC1=NC=CC3=CC=C(Br)C=C31)C2	REAL300008419961	0	40	-1.0	-52.80	346.38	10.61	-42.19
COC(=O)C[C@H](COCC1=CC=CC=C1)NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419962	1	50	-1.0	-49.89	407.65	3.97	-45.92
COC(=O)C[C@H](COCC1=CC=CC=C1)NC(=O)C1CCC2(CC2C(=O)[O-])C1	REAL300008419965	0	54	-1.0	-53.37	440.65	10.11	-43.26
COC[C@@H](CC(=O)OC)NC(=O)C1(C(=O)[O-])CNCCO1	REAL300008419966	1	40	-1.0	-54.29	326.85	0.30	-53.99
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COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1OC(C)C	REAL300008423228	0	49	-1.0	-58.42	404.13	5.26	-53.16
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1OCCC(C)C	REAL300008423229	0	55	-1.0	-58.12	446.77	6.76	-51.36
CCCCCCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL300008423230	0	58	-1.0	-58.19	472.19	7.80	-50.39
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CC(C)C(NC(=O)C1=CC=CO1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423233	0	48	-1.0	-55.54	401.12	3.26	-52.28
COC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC=C1OC(F)F	REAL300008423234	0	47	-1.0	-59.81	408.64	5.22	-54.59
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CCCCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OC	REAL300008423236	0	52	-1.0	-58.32	429.20	6.23	-52.09
CC1=CC(OCCCC(=O)NCCOCCOCC(=O)[O-])=CC=C1Cl	REAL300008423237	0	48	-1.0	-58.01	417.17	6.70	-51.31
CC1=NN(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)C(C)=C1Cl	REAL300008423238	0	48	-1.0	-58.25	420.69	7.20	-51.05
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CCOC1=CC=C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423240	0	50	-1.0	-56.52	423.13	6.07	-50.45
CC(C)C(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300008423241	0	47	-1.0	-55.43	397.05	7.98	-47.45
CC1(C)NC(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C1=O	REAL300008423242	0	43	-1.0	-63.04	372.67	1.09	-61.95
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COC1=CC=C(OCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423244	0	49	-1.0	-59.68	411.22	4.87	-54.81
CC(C)(C)C1=CC=C(OCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423245	0	57	-1.0	-58.40	457.89	7.91	-50.49
CCOC1=CC=CC=C1OCCCC(=O)NCCOCCOCC(=O)[O-]	REAL300008423246	0	52	-1.0	-62.49	432.82	6.41	-56.08
CC1=CC=C(OCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423247	0	48	-1.0	-58.82	403.13	6.27	-52.55
CC1=CC=CC(OCCCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423248	0	48	-1.0	-58.95	403.13	6.26	-52.69
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CC1=NN(CC(C)C)C(Cl)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423250	0	47	-1.0	-55.94	407.08	5.15	-50.79
CC1=CC=C(OCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423251	0	42	-1.0	-59.32	360.68	5.76	-53.56
O=C([O-])COCCOCCNC(=O)C1=NN(CC2=CC=CC=C2)C(=O)C=C1	REAL300008423252	0	47	-1.0	-55.34	408.77	5.54	-49.80
COC1=CC=CC=C1C(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL300008423253	0	55	-1.0	-58.22	443.30	5.67	-52.55
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423254	0	54	-1.0	-54.92	441.53	5.92	-49.00
CC1=CC=CC=C1C(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C(C)C	REAL300008423255	0	54	-1.0	-56.29	430.36	6.22	-50.07
CC(NS(=O)(=O)C1=CC=CC=C1F)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423256	0	46	-1.0	-62.63	407.52	1.59	-61.04
CCCCC1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008423257	0	53	-1.0	-54.42	407.05	7.42	-47.00
CCCOC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1OCC	REAL300008423258	0	56	-1.0	-58.76	464.10	7.58	-51.18
O=C([O-])COCCOCCNC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F	REAL300008423259	0	44	-1.0	-59.50	395.17	6.29	-53.21
CCC1=CC=C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423260	0	49	-1.0	-55.92	414.86	7.27	-48.65
O=C([O-])COCCOCCNC(=O)CSC1=CC=CC=C1	REAL300008423261	0	39	-1.0	-57.36	348.87	5.66	-51.70
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423262	0	51	-1.0	-56.48	434.40	7.11	-49.37
O=C([O-])COCCOCCNC(=O)C1=CC(F)=CC(F)=C1	REAL300008423263	0	35	-1.0	-53.60	318.55	4.66	-48.94
COC1=CC=CC=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL300008423264	0	42	-1.0	-58.83	358.67	4.55	-54.28
CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008423265	0	40	-1.0	-61.30	349.89	5.71	-55.59
O=C([O-])COCCOCCNC(=O)CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300008423266	0	47	-1.0	-65.43	415.01	4.31	-61.12
COC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423267	0	45	-1.0	-56.06	381.26	5.30	-50.76
CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL300008423268	0	51	-1.0	-55.88	438.77	6.53	-49.35
CC1=C(C)C2=C(N=CN(CC(=O)NCCOCCOCC(=O)[O-])C2=O)S1	REAL300008423269	0	46	-1.0	-63.53	403.74	6.18	-57.35
CCCCN1N=C(C)C(C=CC(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL300008423270	0	51	-1.0	-55.90	446.67	6.93	-48.97
O=C([O-])COCCOCCNC(=O)CN1CSCC1=O	REAL300008423271	0	37	-1.0	-63.00	334.65	2.57	-60.43
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CCC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL300008423437	0	44	-1.0	-55.57	365.85	6.42	-49.15
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CC(C)SC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423449	0	45	-1.0	-58.74	379.31	6.91	-51.83
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C(C)C	REAL300008423450	0	48	-1.0	-58.49	382.97	6.25	-52.24
NC(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008423451	0	44	-1.0	-64.01	359.09	1.03	-62.98
CCOC(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008423452	0	49	-1.0	-61.69	401.24	4.36	-57.33
CC(=O)N1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008423453	0	45	-1.0	-62.45	365.81	3.55	-58.90
COC1=CC(OC)=C(OC)C=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL300008423454	0	51	-1.0	-61.53	426.54	4.30	-57.23
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423455	0	49	-1.0	-57.23	419.42	2.22	-55.01
CC1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL300008423456	0	42	-1.0	-55.74	375.69	6.82	-48.92
CC1=NN(C2=CC=CC=C2)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423457	0	44	-1.0	-56.73	382.88	4.74	-51.99
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CCOC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC(OCC)=C1OCC	REAL300008423460	0	56	-1.0	-57.28	463.08	6.47	-50.81
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CC(OC1=CC=C(Cl)C=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423464	0	42	-1.0	-59.80	388.66	6.75	-53.05
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CC(OC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423466	0	42	-1.0	-59.44	355.91	5.71	-53.73
COC1=CC=CC(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423467	0	42	-1.0	-59.68	359.86	4.49	-55.19
CC1=CC=C(C(=O)NCC(=O)NCCOCCOCC(=O)[O-])S1	REAL300008423468	0	42	-1.0	-56.83	378.65	2.80	-54.03
CCC(OC1=CC=CC=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423469	0	45	-1.0	-59.43	371.03	6.32	-53.11
CC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1[N+](=O)[O-]	REAL300008423470	0	40	-1.0	-68.12	352.65	7.06	-61.06
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CC1=CC=C(Cl)C(OCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423472	0	42	-1.0	-60.97	376.71	6.29	-54.68
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=C2)=NO1	REAL300008423474	0	44	-1.0	-57.16	385.61	6.19	-50.97
CC1=CC(Cl)=CC=C1OC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423475	0	45	-1.0	-57.78	393.52	6.89	-50.89
COC1=CC=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423476	0	39	-1.0	-58.28	349.78	5.60	-52.68
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C([N+](=O)[O-])C=C1OC	REAL300008423477	0	45	-1.0	-58.72	391.04	5.10	-53.62
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CCCCN1C(=O)C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2C1=O	REAL300008423482	0	51	-1.0	-59.15	436.41	6.34	-52.81
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])OC2=CC=CC=C21	REAL300008423484	0	41	-1.0	-56.57	354.73	5.60	-50.97
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CCOC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423487	0	45	-1.0	-58.27	381.71	5.42	-52.85
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C(C)N1C1=CC=CC=C1C	REAL300008423488	0	52	-1.0	-58.38	432.42	9.36	-49.02
CC1=CC(Cl)=CC=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL300008423489	0	42	-1.0	-57.96	376.07	6.31	-51.65
CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423490	0	52	-1.0	-68.24	442.97	5.58	-62.66
CC1SC2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2NC1=O	REAL300008423491	0	44	-1.0	-57.95	385.14	4.25	-53.70
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COC1=CC=C(C)C=C1N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL300008423495	0	53	-1.0	-70.08	443.63	5.81	-64.27
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CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423501	0	44	-1.0	-64.50	395.74	6.78	-57.72
NC(=O)NC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423502	0	41	-1.0	-70.14	354.75	0.62	-69.52
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CCCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OCCC	REAL300008423506	0	55	-1.0	-58.19	451.05	7.18	-51.01
COC1=CC=C(OC)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423507	0	43	-1.0	-60.45	362.50	4.37	-56.08
O=C([O-])COCCOCCNC(=O)C=CC1=CC=CC(Cl)=C1	REAL300008423508	0	39	-1.0	-56.40	357.00	6.23	-50.17
O=C([O-])COCCOCCNC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300008423509	0	37	-1.0	-58.83	349.16	6.39	-52.44
COC1=CC=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423510	0	43	-1.0	-58.11	369.74	5.01	-53.10
O=C([O-])COCCOCCNC(=O)C=CC1=CC=CC=C1[N+](=O)[O-]	REAL300008423511	0	41	-1.0	-67.02	365.95	6.28	-60.74
COC1=CC(C=CC(=O)NCCOCCOCC(=O)[O-])=CC(OC)=C1OC	REAL300008423512	0	51	-1.0	-59.47	432.06	4.88	-54.59
O=C([O-])COCCOCCNC(=O)C1=C2C=CC=CC2=NN1	REAL300008423513	0	38	-1.0	-57.87	332.79	3.22	-54.65
O=C([O-])COCCOCCNC(=O)C1=NNC2=CC=CC=C21	REAL300008423513	1	38	-1.0	-58.92	334.60	3.20	-55.72
COC1=CC=CC=C1C=CC(=O)NCCOCCOCC(=O)[O-]	REAL300008423514	0	43	-1.0	-59.75	368.62	5.08	-54.67
O=C([O-])COCCOCCNC(=O)CSC1=CC2=CC=CC=C2C=C1	REAL300008423515	0	45	-1.0	-58.75	394.96	7.93	-50.82
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NCCOCCOCC(=O)[O-])C=N2	REAL300008423516	0	47	-1.0	-69.58	404.22	5.32	-64.26
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC=C2F)CCCC1	REAL300008423517	0	48	-1.0	-55.30	384.60	7.86	-47.44
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC(F)=C2)CCCC1	REAL300008423518	0	48	-1.0	-54.27	390.33	7.88	-46.39
O=C([O-])COCCOCCNC(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300008423519	0	39	-1.0	-55.18	351.62	4.32	-50.86
COC1=CC2=CC=CC=C2C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423520	0	45	-1.0	-60.81	378.93	7.36	-53.45
CC1=CC=CC=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL300008423521	0	42	-1.0	-59.20	359.35	5.80	-53.40
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(C2=CC=CC=C2Cl)=NO1	REAL300008423522	0	44	-1.0	-55.94	395.77	6.74	-49.20
O=C([O-])COCCOCCNC(=O)C1=CC=CC2=CC=CC=C21	REAL300008423523	0	41	-1.0	-58.92	347.24	6.78	-52.14
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC=C2OC1=O	REAL300008423524	0	40	-1.0	-61.09	352.53	5.99	-55.10
CCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OCC	REAL300008423525	0	49	-1.0	-58.62	408.06	5.57	-53.05
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300008423526	0	41	-1.0	-63.40	361.12	5.26	-58.14
CC(C)(C)C1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	REAL300008423527	0	53	-1.0	-54.13	393.80	6.62	-47.51
CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423528	0	57	-1.0	-56.63	452.15	7.05	-49.58
CC(NC(=O)C1=CC=CO1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423529	0	42	-1.0	-57.05	368.49	1.87	-55.18
CC(C1=CC=CC=C1)N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL300008423530	0	52	-1.0	-67.88	422.94	6.93	-60.95
O=C([O-])COCCOCCNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2	REAL300008423531	0	59	-1.0	-63.64	451.64	5.57	-58.07
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])NC2=C1C(=O)CCC2	REAL300008423533	0	45	-1.0	-63.87	374.55	4.53	-59.34
CC(C)CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423534	0	47	-1.0	-56.32	386.90	7.21	-49.11
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300008423535	0	51	-1.0	-55.85	407.52	8.32	-47.53
CC1=CC=C(OC(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423536	0	45	-1.0	-59.36	377.31	6.39	-52.97
CCOC1=CC=C2OC(C(=O)NCCOCCOCC(=O)[O-])=C(C)C2=C1	REAL300008423537	0	48	-1.0	-56.34	406.13	5.82	-50.52
CC1=CC=CC(OC(C)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423538	0	45	-1.0	-59.30	378.11	6.34	-52.96
CC(C)CN1N=C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C2C1=O	REAL300008423539	0	52	-1.0	-55.96	427.16	6.15	-49.81
CC(C)CCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423540	0	51	-1.0	-56.28	417.55	6.88	-49.40
CCCCCCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423541	0	54	-1.0	-56.07	442.98	7.91	-48.16
CC(C)OC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423542	0	45	-1.0	-56.70	374.90	5.40	-51.30
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CC(C)COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423544	0	48	-1.0	-56.15	398.59	6.25	-49.90
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CCCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423551	0	45	-1.0	-56.25	378.49	5.56	-50.69
O=C([O-])COCCOCCNC(=O)C1CC(=O)N(CC2=CC=CC=C2)C1	REAL300008423552	0	49	-1.0	-59.78	414.61	6.09	-53.69
CC1=C(C)C2=C(SCC(=O)NCCOCCOCC(=O)[O-])N=CN=C2S1	REAL300008423553	0	46	-1.0	-57.68	411.25	6.17	-51.51
CC1=CC=C(C)C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423554	0	49	-1.0	-55.83	409.29	7.17	-48.66
COC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1OC(F)F	REAL300008423555	0	43	-1.0	-58.57	374.10	4.02	-54.55
O=C([O-])COCCOCCNC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300008423556	0	49	-1.0	-57.83	416.90	7.82	-50.01
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CCCC1=CC=C(C(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423558	0	52	-1.0	-55.73	436.36	8.05	-47.68
CC(CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL300008423559	0	44	-1.0	-54.49	365.19	6.44	-48.05
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300008423560	0	45	-1.0	-58.26	379.97	8.09	-50.17
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CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423562	0	49	-1.0	-57.78	417.25	3.19	-54.59
C=CCNS(=O)(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423563	0	47	-1.0	-62.32	416.16	2.09	-60.23
CNS(=O)(=O)C1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1OC	REAL300008423564	0	47	-1.0	-65.34	402.54	0.62	-64.72
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423565	0	43	-1.0	-58.67	394.84	1.21	-57.46
CCOC1=CC=CC=C1N1CC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL300008423566	0	53	-1.0	-69.59	444.08	6.07	-63.52
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CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423568	0	57	-1.0	-57.71	460.37	6.18	-51.53
COC1=CC=CC=C1CCC(=O)NCCOCCOCC(=O)[O-]	REAL300008423569	0	45	-1.0	-56.77	380.08	5.36	-51.41
CCC1=CC=C(N2CC(C(=O)NCCOCCOCC(=O)[O-])CC2=O)C=C1	REAL300008423570	0	52	-1.0	-60.44	427.44	6.90	-53.54
O=C([O-])COCCOCCNC(=O)CSC1=CC=C2OCCOC2=C1	REAL300008423571	0	45	-1.0	-60.21	393.37	4.80	-55.41
CC1=C(C(C)C)C=C2C(CC(=O)NCCOCCOCC(=O)[O-])=COC2=C1	REAL300008423572	0	53	-1.0	-60.81	435.79	8.01	-52.80
CC1=CC=C2C(CC(=O)NCCOCCOCC(=O)[O-])=COC2=C1	REAL300008423573	0	44	-1.0	-60.60	379.64	6.23	-54.37
CCC1=CC=C2C(CC(=O)NCCOCCOCC(=O)[O-])=COC2=C1	REAL300008423574	0	47	-1.0	-60.23	401.13	7.00	-53.23
O=C([O-])COCCOCCNC(=O)CC1=COC2=C1C1=C(C=CC=C1)C=C2	REAL300008423575	0	47	-1.0	-62.55	399.65	7.65	-54.90
O=C([O-])COCCOCCNC(=O)CC1=COC2=CC3=C(C=C12)CCC3	REAL300008423576	0	48	-1.0	-61.45	403.82	7.46	-53.99
O=C([O-])COCCOCCNC(=O)COC1=CC=C(F)C=C1Br	REAL300008423577	0	39	-1.0	-60.02	366.10	5.79	-54.23
O=C([O-])COCCOCCNC(=O)C1=CC=C2C(=O)N3CCCC3=NC2=C1	REAL300008423578	0	47	-1.0	-63.45	397.62	5.83	-57.62
CC(=O)C1=CC=CC(OCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423579	0	44	-1.0	-67.65	379.76	5.47	-62.18
CSC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423580	0	39	-1.0	-58.72	341.45	5.52	-53.20
O=C([O-])COCCOCCNC(=O)CSC1=CC=C(Br)C=C1	REAL300008423581	0	39	-1.0	-56.04	370.17	6.28	-49.76
O=C([O-])COCCOCCNC(=O)COC1=CC=C(Br)C=C1F	REAL300008423582	0	39	-1.0	-61.43	366.79	5.77	-55.66
CC(C)C1=CC=CC=C1OCC(=O)NCCOCCOCC(=O)[O-]	REAL300008423583	0	48	-1.0	-59.42	397.89	7.05	-52.37
CCCCOC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OCC	REAL300008423584	0	55	-1.0	-58.25	451.05	7.15	-51.10
CC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1C	REAL300008423585	0	44	-1.0	-57.28	368.77	6.40	-50.88
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CCNS(=O)(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423588	0	46	-1.0	-62.56	403.35	1.54	-61.02
CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423589	0	46	-1.0	-63.36	405.83	2.60	-60.76
CC(C)NS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423590	0	49	-1.0	-60.71	422.51	2.19	-58.52
COC1=CC=C(S(=O)(=O)CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423591	0	48	-1.0	-61.44	420.52	2.31	-59.13
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL300008423592	0	44	-1.0	-57.25	361.38	6.13	-51.12
O=C([O-])COCCOCCNC(=O)CCC(=O)C1=CC=C2CCCCC2=C1	REAL300008423593	0	53	-1.0	-56.39	434.71	8.32	-48.07
CN1C=NC2=C1C(=O)N(CC(=O)NCCOCCOCC(=O)[O-])C(=O)N2C	REAL300008423594	0	47	-1.0	-67.75	404.23	5.52	-62.23
CC(OC1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423595	0	42	-1.0	-58.27	363.13	5.73	-52.54
CCNS(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423596	0	46	-1.0	-60.87	403.34	1.55	-59.32
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O=C([O-])COCCOCCNC(=O)CC1=CC2=CC=CC=C2C=C1	REAL300008423598	0	44	-1.0	-58.85	376.47	7.45	-51.40
O=C([O-])COCCOCCNC(=O)C1CCCN(C(=O)C2=CC=C(F)C=C2)C1	REAL300008423599	0	52	-1.0	-58.92	427.93	6.35	-52.57
CC(C)=CC1C(C(=O)NCCOCCOCC(=O)[O-])C1(C)C	REAL300008423600	0	48	-1.0	-54.84	392.28	6.70	-48.14
CS(=O)(=O)N1CCCCC1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423601	0	46	-1.0	-64.40	376.12	1.99	-62.41
CC1=CC=C(NC2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423602	0	50	-1.0	-58.74	417.53	7.84	-50.90
CC(=O)NC(C(=O)NCCOCCOCC(=O)[O-])C1CCCC1	REAL300008423603	0	48	-1.0	-68.20	384.31	4.71	-63.49
O=C([O-])COCCOCCNC(=O)C1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300008423604	0	45	-1.0	-58.48	404.73	6.60	-51.88
COC1=CC(CC(=O)NCCOCCOCC(=O)[O-])=CC=C1C	REAL300008423605	0	45	-1.0	-57.98	379.93	5.24	-52.74
O=C([O-])COCCOCCNC(=O)CCN1C=NC2=CC=CC=C2C1=O	REAL300008423606	0	46	-1.0	-65.10	397.04	6.16	-58.94
CC1=CC=CC2=C1N=CN(CCC(=O)NCCOCCOCC(=O)[O-])C2=O	REAL300008423607	0	49	-1.0	-59.75	417.19	6.99	-52.76
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1NC(=O)C1=CSC=C1	REAL300008423608	0	46	-1.0	-59.68	403.30	5.88	-53.80
O=C([O-])COCCOCCNC(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300008423609	0	45	-1.0	-60.61	371.63	7.88	-52.73
CNS(=O)(=O)C1=CC=C(C=CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423610	0	47	-1.0	-61.07	416.81	1.89	-59.18
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CC(OC1=CC=C2CCCC2=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423641	0	49	-1.0	-60.02	402.28	7.57	-52.45
CC1=CC=C(Cl)C(OC(C)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423642	0	45	-1.0	-60.75	394.16	6.88	-53.87
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CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423649	0	52	-1.0	-60.26	430.85	9.08	-51.18
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423650	0	46	-1.0	-60.24	407.90	1.63	-58.61
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CC1=CC=C(N2N=C(C(=O)NCCOCCOCC(=O)[O-])C3=C2CCC3)C=C1	REAL300008423652	0	52	-1.0	-61.59	433.97	8.12	-53.47
CC1=NSC2=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C12	REAL300008423653	0	39	-1.0	-55.94	352.94	3.36	-52.58
CCCCC(NC(N)=O)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423654	0	46	-1.0	-67.69	378.98	1.27	-66.42
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CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423657	0	51	-1.0	-58.53	417.21	5.97	-52.56
CC(C)C1=NC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL300008423658	0	40	-1.0	-56.32	356.06	3.54	-52.78
CC(C)(C)C1=NC(CC(=O)NCCOCCOCC(=O)[O-])=CS1	REAL300008423659	0	46	-1.0	-57.62	397.10	4.69	-52.93
O=C([O-])COCCOCCNC(=O)C1=CN=C(CC2=CC=C(F)C=C2)S1	REAL300008423660	0	44	-1.0	-58.30	402.64	6.22	-52.08
O=C([O-])COCCOCCNC(=O)C1=CSC(CC2=CC=C(F)C=C2)=N1	REAL300008423661	0	44	-1.0	-58.08	402.73	6.07	-52.01
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423662	0	44	-1.0	-57.77	384.52	5.96	-51.81
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423663	0	44	-1.0	-57.33	378.59	5.17	-52.16
O=C([O-])COCCOCCNC(=O)C1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300008423664	0	44	-1.0	-57.37	399.03	4.00	-53.37
CC1CCN(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=N2)CC1	REAL300008423665	0	52	-1.0	-56.02	417.12	5.80	-50.22
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CC1=C(CC(=O)NCCOCCOCC(=O)[O-])N=C(C2=CSC=C2)O1	REAL300008423668	0	44	-1.0	-64.56	396.92	3.19	-61.37
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CN1CCN(C(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300008423671	0	55	-1.0	-56.03	439.58	3.71	-52.32
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CCN(C)C(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL300008423673	1	49	-1.0	-54.88	394.24	4.70	-50.18
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(CC(C)C)=N1	REAL300008423675	0	46	-1.0	-55.37	391.61	5.01	-50.36
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CCN1CCN(CC(=O)NCCOCCOCC(=O)[O-])C(=O)C1=O	REAL300008423681	0	46	-1.0	-67.87	390.69	3.52	-64.35
COC1=CC=CC(COCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423682	0	46	-1.0	-62.53	394.34	4.88	-57.65
COC1=CC=CC(COC(C)C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423683	0	49	-1.0	-61.94	413.32	5.64	-56.30
CCOC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423684	0	48	-1.0	-55.88	403.11	6.23	-49.65
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O=C([O-])COCCOCCNC(=O)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL300008423687	0	44	-1.0	-58.73	394.90	6.35	-52.38
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CC(OC1=CC=CC(Cl)=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423690	0	42	-1.0	-61.64	387.92	6.67	-54.97
CC1(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)NC(=O)NC1=O	REAL300008423691	0	47	-1.0	-60.01	401.72	1.57	-58.44
CCCC1=CC=C(N2CC(C(=O)NCCOCCOCC(=O)[O-])CC2=O)C=C1	REAL300008423692	0	55	-1.0	-68.70	449.38	7.70	-61.00
CC(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC=C1	REAL300008423693	0	51	-1.0	-57.44	412.67	7.22	-50.22
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC=C1	REAL300008423694	0	48	-1.0	-58.72	403.66	6.80	-51.92
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O=C([O-])COCCOCCNC(=O)CCC(=O)C1=CC=CC2=CC=CC=C21	REAL300008423697	0	49	-1.0	-58.54	413.33	8.10	-50.44
CCC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=C(C)C=C1	REAL300008423698	0	51	-1.0	-58.48	424.81	7.48	-51.00
CC1=CC=CC=C1C(CC(=O)NCCOCCOCC(=O)[O-])NC(N)=O	REAL300008423699	0	50	-1.0	-56.31	408.62	2.34	-53.97
CC1=CC=CC(C(CC(=O)NCCOCCOCC(=O)[O-])NC(N)=O)=C1	REAL300008423700	0	50	-1.0	-65.41	423.84	2.73	-62.68
CC(C)C1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=C(F)C=C1	REAL300008423701	0	51	-1.0	-55.54	419.67	7.28	-48.26
O=C([O-])COCCOCCNC(=O)CCC(=O)CCC(=O)C1=CC=CS1	REAL300008423702	0	48	-1.0	-58.05	427.87	6.42	-51.63
COC1=CC=C(COCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423703	0	46	-1.0	-61.36	394.33	4.88	-56.48
CC1=NN(CCC(=O)NCCOCCOCC(=O)[O-])C(C)=C1	REAL300008423704	0	44	-1.0	-58.78	375.29	4.26	-54.52
O=C([O-])COCCOCCNC(=O)C1=CC=C(CN2C=CC=N2)C=C1	REAL300008423705	0	45	-1.0	-62.60	389.50	6.19	-56.41
O=C([O-])COCCOCCNC(=O)CC1=CC=CC2=CC=CN=C21	REAL300008423706	0	43	-1.0	-62.87	370.36	5.72	-57.15
O=C([O-])COCCOCCNC(=O)CCC1=NC=C(C2=CC=CC=C2)O1	REAL300008423707	0	47	-1.0	-57.90	406.94	4.48	-53.42
O=C([O-])COCCOCCNC(=O)CCC1=NC=C(C2=CC=C(Cl)C=C2)O1	REAL300008423708	0	47	-1.0	-56.90	423.66	5.00	-51.90
CC1=C(CC(=O)NCCOCCOCC(=O)[O-])C(=O)N2N=CC=C2N1	REAL300008423709	0	44	-1.0	-70.69	378.55	3.39	-67.30
CC1OC2=C(C=CC=C2C(=O)NCCOCCOCC(=O)[O-])NC1=O	REAL300008423710	0	44	-1.0	-61.55	374.67	3.66	-57.89
CC(C)OC1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423711	0	45	-1.0	-60.92	372.85	6.61	-54.31
CC1=NC2=C(C(=O)NN2C)C(C)=C1CC(=O)NCCOCCOCC(=O)[O-]	REAL300008423712	0	50	-1.0	-66.47	416.98	3.52	-62.95
O=C([O-])COCCOCCNC(=O)CC1=COC(C2=CC=C(Cl)C=C2)=N1	REAL300008423713	0	44	-1.0	-60.90	402.88	4.33	-56.57
CNC(=O)C1(C(=O)NCCOCCOCC(=O)[O-])CCC1	REAL300008423714	0	42	-1.0	-53.12	354.34	1.51	-51.61
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CC(=O)C1=CSC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423716	0	37	-1.0	-63.89	341.99	4.02	-59.87
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O=C([O-])COCCOCCNC(=O)C1CC(=O)NC2=CC(F)=CC=C21	REAL300008423719	0	43	-1.0	-66.53	372.43	3.62	-62.91
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CC1=CC(OC(C)C(=O)NCCOCCOCC(=O)[O-])=CC=C1C(C)C	REAL300008423724	0	54	-1.0	-59.28	433.54	8.17	-51.11
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CN1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1=O	REAL300008423726	0	42	-1.0	-60.08	348.62	2.76	-57.32
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CC1=CNC(=O)N1C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423730	0	46	-1.0	-63.48	398.24	5.40	-58.08
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O=C([O-])COCCOCCNC(=O)C=CC1=CC=C(F)C=C1[N+](=O)[O-]	REAL300008423732	0	41	-1.0	-62.66	372.38	6.35	-56.31
COC1=CC=CC=C1C1(C(=O)NCCOCCOCC(=O)[O-])CCC1	REAL300008423733	0	49	-1.0	-56.85	400.35	6.14	-50.71
CC1=C(C(=O)NCCOCCOCC(=O)[O-])SC(C(C)(C)C)=N1	REAL300008423734	0	46	-1.0	-55.32	391.97	4.83	-50.49
COC1=CC(Br)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423735	0	39	-1.0	-57.97	354.33	5.71	-52.26
CC1CCC(N2CC(C(=O)NCCOCCOCC(=O)[O-])CC2=O)CC1	REAL300008423736	0	55	-1.0	-56.18	432.63	6.13	-50.05
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423737	0	44	-1.0	-60.40	400.40	3.47	-56.93
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CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1F	REAL300008423740	0	41	-1.0	-57.04	351.32	5.77	-51.27
COCC1=NC(C(=O)NCCOCCOCC(=O)[O-])=CS1	REAL300008423741	0	38	-1.0	-57.17	348.58	1.28	-55.89
NC(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])N=C1	REAL300008423742	0	38	-1.0	-59.21	337.64	-0.43	-59.64
CC1=CC([N+](=O)[O-])=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423743	0	40	-1.0	-54.54	349.97	5.86	-48.68
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COC1=CC(OCC(=O)NCCOCCOCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300008423747	0	45	-1.0	-63.29	394.76	5.83	-57.46
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NS(=O)(=O)CC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423754	0	43	-1.0	-66.17	383.99	0.18	-65.99
NS(=O)(=O)CC1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423755	0	43	-1.0	-70.10	383.84	0.18	-69.92
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=CC=CC=C2)N1	REAL300008423756	0	43	-1.0	-57.19	370.82	5.87	-51.32
CC(OC1=CC=C(F)C(F)=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423757	0	42	-1.0	-57.81	369.42	5.78	-52.03
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=NN1C1=CC=C(F)C=C1	REAL300008423759	0	44	-1.0	-55.97	386.01	4.77	-51.20
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423760	0	50	-1.0	-58.40	413.13	9.01	-49.39
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CC(C(=O)NCCOCCOCC(=O)[O-])C1=C(Cl)C=CC=C1Cl	REAL300008423763	0	41	-1.0	-55.85	367.77	6.43	-49.42
CCCNC(=O)NC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423764	0	53	-1.0	-64.72	444.57	4.32	-60.40
O=C([O-])COCCOCCNC(=O)CNC(=O)CCC1CCCC1	REAL300008423765	0	51	-1.0	-55.59	415.92	4.11	-51.48
CC1(C(=O)NCCOCCOCC(=O)[O-])CCCC2=CC=CC=C21	REAL300008423766	0	48	-1.0	-56.15	377.39	7.33	-48.82
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423767	0	45	-1.0	-55.66	403.38	7.91	-47.75
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423768	0	45	-1.0	-55.99	413.71	8.37	-47.62
CCC1=CC=C(C(C)C(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423769	0	47	-1.0	-57.00	389.17	7.19	-49.81
CC(C)(C)C1=CC=C(CCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423770	0	59	-1.0	-55.64	470.95	9.89	-45.75
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CS(=O)(=O)CC1=C(C(=O)NCCOCCOCC(=O)[O-])OC2=CC=CC=C21	REAL300008423773	0	47	-1.0	-64.86	417.20	3.30	-61.56
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(Br)=C1	REAL300008423774	0	44	-1.0	-55.01	382.68	6.75	-48.26
CN1C=C(C(=O)NCCOCCOCC(=O)[O-])C(C2CCCCC2)=N1	REAL300008423775	0	51	-1.0	-60.13	411.96	6.08	-54.05
CC1(C)CCC(C(=O)NCCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL300008423776	0	51	-1.0	-55.96	400.86	7.85	-48.11
COC1=CC=C(CN2CC(C(=O)NCCOCCOCC(=O)[O-])CC2=O)C=C1	REAL300008423777	0	53	-1.0	-58.66	444.17	5.41	-53.25
CCN(CC)C(=O)CCCC(=O)NCCOCCOCC(=O)[O-]	REAL300008423778	0	50	-1.0	-65.85	411.00	5.19	-60.66
CC(C)(C(=O)NCCOCCOCC(=O)[O-])N1C=C([N+](=O)[O-])C=N1	REAL300008423779	0	43	-1.0	-62.34	375.20	4.59	-57.75
CC1=NN(CCC(=O)NCCOCCOCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300008423780	0	46	-1.0	-55.71	405.20	4.97	-50.74
O=C([O-])COCCOCCNC(=O)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL300008423781	0	48	-1.0	-64.01	412.82	7.48	-56.53
O=C([O-])COCCOCCNC(=O)C1CCCCC1C(=O)N1CCCC1	REAL300008423782	0	55	-1.0	-66.32	432.44	5.88	-60.44
O=C([O-])COCCOCCNC(=O)C1CCOC2=CC=CC=C21	REAL300008423783	0	43	-1.0	-57.90	358.72	5.09	-52.81
CCC(CC)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300008423784	0	50	-1.0	-56.40	404.34	7.43	-48.97
O=C([O-])COCCOCCNC(=O)C1=CC([N+](=O)[O-])=CC2=C1OCCO2	REAL300008423785	0	43	-1.0	-57.93	376.10	5.47	-52.46
CC1=CC=CC(C2(C(=O)NCCOCCOCC(=O)[O-])CCCC2)=C1	REAL300008423786	0	51	-1.0	-55.55	406.28	8.47	-47.08
CC(OC1CCCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423787	0	48	-1.0	-57.52	386.44	5.96	-51.56
O=C([O-])COCCOCCNC(=O)CCC1=CC=CC=C1OC(F)(F)F	REAL300008423788	0	45	-1.0	-55.00	396.57	5.85	-49.15
COC1=CC=C(CN2C=C(C(=O)NCCOCCOCC(=O)[O-])C=N2)C=C1	REAL300008423789	0	49	-1.0	-59.82	421.69	5.44	-54.38
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423790	0	50	-1.0	-63.20	433.15	6.69	-56.51
COCCC1=CC=C(OCCCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423791	0	55	-1.0	-59.31	458.28	6.10	-53.21
CCC(OC1=CC=CC=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423792	0	45	-1.0	-61.74	387.02	6.84	-54.90
COC1=CC=C(CC(=O)NCCOCCOCC(=O)[O-])C(Cl)=C1	REAL300008423793	0	42	-1.0	-59.86	374.08	4.93	-54.93
COCCOC1=CC=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423794	0	46	-1.0	-61.60	405.26	5.76	-55.84
CCCOC1=CC=C(Cl)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423795	0	45	-1.0	-58.16	393.13	7.31	-50.85
COC1=CC=C(C2=NNC(C(=O)NCCOCCOCC(=O)[O-])=C2)C=C1OC	REAL300008423796	0	50	-1.0	-59.28	425.90	3.78	-55.50
CCC1=CC=C(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])O2)C=C1	REAL300008423797	0	48	-1.0	-56.22	412.31	7.71	-48.51
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])O2)C=C1	REAL300008423798	0	54	-1.0	-55.96	445.53	8.59	-47.37
CNS(=O)(=O)C1=CSC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423799	0	40	-1.0	-61.31	375.80	-0.35	-61.66
CC(CSC1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423800	0	45	-1.0	-54.60	394.36	7.12	-47.48
O=C([O-])COCCOCCNC(=O)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300008423801	0	45	-1.0	-59.03	397.80	6.77	-52.26
O=C([O-])COCCOCCNC(=O)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL300008423802	0	44	-1.0	-60.31	394.69	4.76	-55.55
O=C([O-])COCCOCCNC(=O)CCC1CCCOC1	REAL300008423803	0	45	-1.0	-55.50	363.59	3.79	-51.71
CC1=C(C(=O)NCCOCCOCC(=O)[O-])N=C(C2=CN(C)N=C2)O1	REAL300008423804	0	44	-1.0	-59.63	387.55	1.51	-58.12
CN1C=NC(S(=O)(=O)NCC(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423805	0	43	-1.0	-67.37	388.47	-0.02	-67.39
O=C([O-])COCCOCCNC(=O)C1=CN2C(=NN=C2C(F)F)C=C1	REAL300008423806	0	40	-1.0	-59.61	361.70	5.78	-53.83
O=C([O-])COCCOCCNC(=O)C1CC12CCCC1=CC=CC=C12	REAL300008423807	0	49	-1.0	-55.32	392.28	8.35	-46.97
O=C([O-])COCCOCCNC(=O)C1CC12CCC1=CC=CC=C12	REAL300008423808	0	46	-1.0	-55.19	384.41	7.52	-47.67
CC1C(=O)NC2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C2N1C	REAL300008423809	0	48	-1.0	-58.77	395.54	2.24	-56.53
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)NCCOCCOCC(=O)[O-])S1	REAL300008423810	0	45	-1.0	-56.36	402.54	7.87	-48.49
O=C([O-])COCCOCCNC(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300008423811	0	46	-1.0	-60.03	395.49	4.67	-55.36
O=C([O-])COCCOCCNC(=O)CC1=NN(C2=CC=CC=C2)C=C1	REAL300008423812	0	45	-1.0	-64.15	388.40	6.36	-57.79
O=C([O-])COCCOCCNC(=O)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL300008423813	0	45	-1.0	-55.60	411.30	5.54	-50.06
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL300008423814	0	47	-1.0	-57.08	409.46	5.40	-51.68
O=C([O-])COCCOCCNC(=O)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300008423815	0	55	-1.0	-59.97	422.75	9.07	-50.90
CC1=C(C2=CC=CC=C2)C=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)N1	REAL300008423816	0	48	-1.0	-63.40	407.28	5.86	-57.54
CC(=O)N1CCC(C)(C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008423817	0	45	-1.0	-60.30	369.22	3.28	-57.02
CCOCCS(=O)(=O)NCC(=O)NCCOCCOCC(=O)[O-]	REAL300008423818	0	46	-1.0	-64.31	403.82	-1.37	-65.68
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423819	0	56	-1.0	-54.91	434.38	4.58	-50.33
CC(=O)NCCNC(=O)CCC(=O)NCCOCCOCC(=O)[O-]	REAL300008423820	0	48	-1.0	-62.09	412.23	-0.29	-62.38
COC1=CC=C(Br)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423821	0	39	-1.0	-58.09	354.34	5.71	-52.38
O=C([O-])COCCOCCNC(=O)CC1CCC2=CC=CC=C21	REAL300008423822	0	45	-1.0	-56.27	368.02	6.96	-49.31
CCCCCCC(C)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423823	0	49	-1.0	-54.95	394.01	6.63	-48.32
CC1=CC=C(Br)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423824	0	38	-1.0	-53.85	343.10	5.82	-48.03
O=C([O-])COCCOCCNC(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300008423825	0	37	-1.0	-55.74	350.17	5.82	-49.92
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008423826	0	46	-1.0	-58.59	389.61	6.80	-51.79
O=C([O-])COCCOCCNC(=O)CCC1=CC=CC([N+](=O)[O-])=C1	REAL300008423827	0	43	-1.0	-57.34	379.97	6.67	-50.67
O=C([O-])COCCOCCNC(=O)C1=CC2=C(CCCC2)NC1=O	REAL300008423828	0	45	-1.0	-62.97	370.76	4.14	-58.83
CC(OC1=CC=C(F)C=C1Cl)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423829	0	42	-1.0	-60.09	378.34	6.31	-53.78
CC1(C)CCC(C)(C)C2=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C21	REAL300008423830	0	57	-1.0	-56.72	435.35	8.69	-48.03
O=C([O-])COCCOCCNC(=O)C1=CNC(=O)C(Br)=C1	REAL300008423831	0	35	-1.0	-57.68	330.86	2.07	-55.61
O=C([O-])COCCOCCNC(=O)CC1=CC=C(NC(=O)C2CC2)C=C1	REAL300008423832	0	49	-1.0	-64.20	417.26	5.68	-58.52
O=C([O-])COCCOCCNC(=O)C1=CC=C2SC=CC2=C1	REAL300008423833	0	38	-1.0	-56.49	342.58	5.88	-50.61
CC(C)C1=NN(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423834	0	44	-1.0	-55.70	368.23	4.12	-51.58
O=C([O-])COCCOCCNC(=O)C1(C2=CC=CC=C2F)CC1	REAL300008423835	0	42	-1.0	-60.83	365.21	6.53	-54.30
O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300008423836	0	44	-1.0	-55.45	374.31	7.23	-48.22
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CC1=NOC(C2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])=N1	REAL300008423838	0	43	-1.0	-60.95	376.21	4.63	-56.32
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O=C([O-])COCCOCCNC(=O)C1(SC2=CC=CC=C2)CCCC1	REAL300008423846	0	49	-1.0	-54.03	401.72	7.81	-46.22
CC1=NC(C(=O)NCCOCCOCC(=O)[O-])=NN1C1=CC=CC=C1	REAL300008423847	0	44	-1.0	-63.65	380.93	6.03	-57.62
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CCCCC(CC)CC(=O)NCCOCCOCC(=O)[O-]	REAL300008423860	0	49	-1.0	-54.57	387.82	6.38	-48.19
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COC1=CSC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423863	0	36	-1.0	-56.60	328.37	2.85	-53.75
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CCCCCCC(CC)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423865	0	52	-1.0	-54.40	411.57	7.37	-47.03
CCCCCC(O)CC(=O)NCCOCCOCC(=O)[O-]	REAL300008423866	0	47	-1.0	-58.20	387.01	3.70	-54.50
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CCC(C(=O)NCCOCCOCC(=O)[O-])N1CCCC1=O	REAL300008423870	0	45	-1.0	-69.12	369.49	5.22	-63.90
CCN1N=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1Cl	REAL300008423871	0	41	-1.0	-56.33	372.00	4.02	-52.31
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O=C([O-])COCCOCCNC(=O)C1CC12CCOC1=CC=CC=C12	REAL300008423873	0	47	-1.0	-55.85	383.79	6.46	-49.39
CC1=NC(C2=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C2)=NN1	REAL300008423874	0	44	-1.0	-61.03	382.76	5.25	-55.78
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=CC=C1N1C=NC=N1	REAL300008423875	0	44	-1.0	-58.99	379.96	8.07	-50.92
CC1=CC(N2C=NC=N2)=CC=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423876	0	44	-1.0	-59.99	374.93	7.72	-52.27
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COC1=CC=C(CCC(=O)NCCOCCOCC(=O)[O-])C=C1Cl	REAL300008423881	0	45	-1.0	-55.95	397.29	5.85	-50.10
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=C(F)C=C1F	REAL300008423883	0	45	-1.0	-58.10	396.33	6.34	-51.76
CC1=NN=NN1C(=CC1=CC=C(F)C=C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423884	0	47	-1.0	-52.58	410.20	5.71	-46.87
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CC1=NOC(CCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL300008423886	0	39	-1.0	-56.06	343.33	1.60	-54.46
CC1=NOC(CSC2=CC=CC=C2C(=O)NCCOCCOCC(=O)[O-])=N1	REAL300008423887	0	47	-1.0	-62.89	414.40	5.00	-57.89
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300008423888	0	45	-1.0	-56.82	398.39	6.60	-50.22
CC1=CC=CC(COC2=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C2)=C1	REAL300008423889	0	52	-1.0	-60.44	438.38	8.47	-51.97
CC(C)(C)C(=O)NCCCC(=O)NCCOCCOCC(=O)[O-]	REAL300008423890	0	50	-1.0	-58.77	411.38	3.38	-55.39
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O=C([O-])COCCOCCNC(=O)C1=CC=CC(OCC2CCCO2)=C1	REAL300008423896	0	50	-1.0	-62.96	414.15	5.22	-57.74
CC1=CC=C(N2CC(C(=O)NCCOCCOCC(=O)[O-])CC2=O)C=C1F	REAL300008423897	0	49	-1.0	-62.76	411.26	6.17	-56.59
CC(NC(=O)C(C)(C)C)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423898	0	47	-1.0	-56.90	387.31	2.79	-54.11
CC(C)(C)C(=O)NCCC(=O)NCCOCCOCC(=O)[O-]	REAL300008423899	0	47	-1.0	-63.70	389.88	2.57	-61.13
CC(C)C1=NOC(CCC(=O)NCCOCCOCC(=O)[O-])=N1	REAL300008423900	0	45	-1.0	-55.88	385.63	2.66	-53.22
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=NNC(=O)C=C1	REAL300008423901	0	44	-1.0	-59.18	382.46	2.87	-56.31
CC1=C(C(=O)NCCOCCOCC(=O)[O-])C=NN1C1=CC=CC=C1F	REAL300008423902	0	45	-1.0	-62.22	390.01	6.27	-55.95
CC1=NOC2=NC=C(C(=O)NCCOCCOCC(=O)[O-])C=C12	REAL300008423903	0	39	-1.0	-56.52	344.16	1.96	-54.56
O=C([O-])COCCOCCNC(=O)C1=CC=CC(CN2C(=O)CSC2=O)=C1	REAL300008423904	0	46	-1.0	-63.64	411.33	5.30	-58.34
COC1=CC=C(C(=O)NCCOCCOCC(=O)[O-])C=C1OC(F)F	REAL300008423905	0	43	-1.0	-62.92	374.11	4.03	-58.89
O=C([O-])COCCOCCNC(=O)CC(CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300008423906	0	57	-1.0	-56.37	463.26	10.76	-45.61
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CC1=C(C(=O)NCCOCCOCC(=O)[O-])C(=O)OC2=CC=CC=C21	REAL300008423909	0	43	-1.0	-62.02	365.54	6.55	-55.47
CCCN1N=C(C)C(C(=O)NCCOCCOCC(=O)[O-])=C1C	REAL300008423910	0	47	-1.0	-56.07	396.47	4.89	-51.18
CC1=CC=C(C2=NC(CC(=O)NCCOCCOCC(=O)[O-])=CS2)O1	REAL300008423912	0	44	-1.0	-64.21	398.45	5.02	-59.19
CC1=CC(C(=O)NCCOCCOCC(=O)[O-])=C2C(=O)NN(C)C2=N1	REAL300008423913	0	44	-1.0	-68.41	377.21	3.95	-64.46
O=C([O-])COCCOCCNC(=O)C1=CNN=C1C1=CC=NC=C1	REAL300008423914	0	41	-1.0	-61.07	356.63	2.80	-58.27
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC=C2OC1	REAL300008423915	0	41	-1.0	-56.97	351.60	5.04	-51.93
O=C([O-])COCCOCCNC(=O)C1=C(F)C=C(OC(F)F)C=C1F	REAL300008423916	0	39	-1.0	-59.21	361.17	4.04	-55.17
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423917	0	51	-1.0	-55.46	426.85	4.01	-51.45
O=C([O-])COCCOCCNC(=O)CCCN1C=CC=CC1=O	REAL300008423918	0	44	-1.0	-64.81	377.06	5.07	-59.74
O=C([O-])COCCOCCNC(=O)C1CC2COCC(C1)C2=O	REAL300008423919	0	45	-1.0	-56.47	358.36	4.21	-52.26
CN1C(=O)CC(C(=O)NCCOCCOCC(=O)[O-])C1C1=CC=CC(Cl)=C1	REAL300008423920	0	49	-1.0	-57.35	424.21	6.40	-50.95
CC(=CC(=O)NCCOCCOCC(=O)[O-])C1=CC=CC=C1C	REAL300008423921	0	45	-1.0	-54.40	377.81	7.07	-47.33
O=C([O-])COCCOCCNC(=O)CCOC1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300008423922	0	44	-1.0	-57.22	402.97	6.78	-50.44
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O=C([O-])COCCOCCNC(=O)C1=CC=CC=C1SCC1=CC=CS1	REAL300008423925	0	46	-1.0	-59.61	413.05	8.49	-51.12
CC1=CC=C2C(=O)N(C(C)C(=O)NCCOCCOCC(=O)[O-])C(=O)C2=C1	REAL300008423926	0	48	-1.0	-64.19	410.50	6.25	-57.94
COC1=CC=C(OC)C(CC(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423927	0	46	-1.0	-59.44	388.15	3.83	-55.61
COC1=CC=C(SCC(=O)NCCOCCOCC(=O)[O-])C=C1	REAL300008423928	0	43	-1.0	-57.96	378.35	4.95	-53.01
O=C([O-])COCCOCCNC(=O)CCC1=CC=C(F)C=C1	REAL300008423929	0	41	-1.0	-55.11	358.17	6.07	-49.04
CCOC1=CC=CC=C1CCC(=O)NCCOCCOCC(=O)[O-]	REAL300008423930	0	48	-1.0	-56.65	401.92	6.28	-50.37
O=C([O-])COCCOCCNC(=O)C1CC1C1=CC=CC(F)=C1F	REAL300008423931	0	42	-1.0	-61.20	370.09	6.63	-54.57
CN1C(C(=O)NCCOCCOCC(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300008423932	0	46	-1.0	-58.47	380.85	7.35	-51.12
CNC(=O)C1=CC=CC(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423933	0	42	-1.0	-67.55	362.16	2.81	-64.74
CC(C)(C)C(=O)N1CCOC(C(=O)NCCOCCOCC(=O)[O-])C1	REAL300008423934	0	52	-1.0	-63.26	408.69	3.77	-59.49
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C=C1F	REAL300008423935	0	41	-1.0	-53.11	357.71	5.84	-47.27
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300008423936	0	41	-1.0	-55.38	358.98	5.87	-49.51
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300008423937	0	41	-1.0	-55.46	363.02	6.26	-49.20
CC(C(=O)NCCOCCOCC(=O)[O-])C1=CC=CC(F)=C1	REAL300008423938	0	41	-1.0	-56.06	352.70	5.81	-50.25
CC1=C(C(=O)NCCOCCOCC(=O)[O-])OC(C2=CC=CC=C2)=N1	REAL300008423939	0	44	-1.0	-56.00	383.85	3.69	-52.31
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)NCCOCCOCC(=O)[O-])=C1	REAL300008423940	0	51	-1.0	-63.54	425.44	5.52	-58.02
O=C([O-])COCCOCCNC(=O)C1=CN(CC2=CC=CS2)N=N1	REAL300008423941	0	41	-1.0	-58.26	378.50	3.81	-54.45
O=C([O-])COCCOCCNC(=O)C1=CC2=CC=CC(F)=C2O1	REAL300008423942	0	38	-1.0	-57.34	343.38	4.97	-52.37
CCCCCCC(C)(CC)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423943	0	55	-1.0	-55.21	424.93	7.53	-47.68
CCCCCCC(C)(CCC)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423944	0	58	-1.0	-55.05	446.43	8.29	-46.76
CCC(OC1CCCC(C)C1)C(=O)NCCOCCOCC(=O)[O-]	REAL300008423945	0	54	-1.0	-55.86	422.98	7.33	-48.53
O=C([O-])COCCOCCNC(=O)C1=CNN=C1C1=CC=CC(OC(F)F)=C1	REAL300008423946	0	46	-1.0	-63.31	400.79	4.11	-59.20
CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300008423947	0	50	-1.0	-58.78	407.29	8.38	-50.40
O=C([O-])COCCOCCNC(=O)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL300008423948	0	48	-1.0	-60.11	413.00	6.75	-53.36
O=C([O-])COCCOCCNC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O	REAL300008423949	0	47	-1.0	-68.29	394.18	2.52	-65.77
CC(C(=O)NCCOCCOCC(=O)[O-])N1C(=O)C2C3CCC(O3)C2C1=O	REAL300008423950	0	50	-1.0	-60.47	393.69	3.53	-56.94
O=C([O-])COCCOCCNC(=O)CCN1C(=O)C2C3CCC(O3)C2C1=O	REAL300008423951	0	50	-1.0	-63.35	415.21	2.92	-60.43
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CC(NC(=O)C1(C(=O)[O-])CC=CCC1)C1=NN=NN1C1CC1	REAL300009356177	0	40	-1.0	-49.53	328.22	5.36	-44.17
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CC(NC(=O)C1(C(=O)[O-])CCCCC1)C1=NN=NN1C1CC1	REAL300009356179	0	42	-1.0	-48.99	332.64	5.66	-43.33
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CC(NC(=O)C1CCC(C(=O)[O-])CC1)C1=NN=NN1C1CC1	REAL300009356182	0	42	-1.0	-52.04	341.87	5.72	-46.32
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CC(NC(=O)C(C(=O)[O-])C1CCCC1)C1=NN=NN1C1CC1	REAL300009356187	0	42	-1.0	-49.88	342.78	5.73	-44.15
CC(NC(=O)C1(C(=O)[O-])CCCCCC1)C1=NN=NN1C1CC1	REAL300009356188	0	45	-1.0	-49.97	337.70	6.37	-43.60
CC(NC(=O)C1(C(=O)[O-])CCSCC1)C1=NN=NN1C1CC1	REAL300009356189	0	40	-1.0	-46.83	331.40	5.46	-41.37
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CC(NC(=O)C1=CN(CC(=O)[O-])N=N1)C1=NN=NN1C1CC1	REAL300009356191	0	35	-1.0	-51.69	316.88	2.16	-49.53
CC(NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=NN=NN1C1CC1	REAL300009356192	0	36	-1.0	-56.08	318.54	3.15	-52.93
CC(NC(=O)C1COC(CCC(=O)[O-])C1)C1=NN=NN1C1CC1	REAL300009356193	0	43	-1.0	-52.83	357.19	4.16	-48.67
CC(NC(=O)C1=COC(C=CC(=O)[O-])=C1)C1=NN=NN1C1CC1	REAL300009356194	0	37	-1.0	-55.30	333.16	4.96	-50.34
CC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=NN=NN1C1CC1	REAL300009356195	0	37	-1.0	-53.81	336.77	5.31	-48.50
CC(NC(=O)C1=CC=CN(CC(=O)[O-])C1=O)C1=NN=NN1C1CC1	REAL300009356196	0	39	-1.0	-60.30	340.04	5.18	-55.12
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CC(NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=NN=NN1C1CC1	REAL300009356200	0	42	-1.0	-55.13	341.33	5.70	-49.43
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CC1=CC=C(OC2=CC=CC(NC(=O)C(C)C(=O)[O-])=C2)C(C)=C1	REAL300009356204	0	41	-1.0	-61.28	340.07	9.85	-51.43
CC1=CC=C(OC2=CC=CC(NC(=O)CCCC(=O)[O-])=C2)C(C)=C1	REAL300009356205	0	44	-1.0	-60.48	365.97	9.90	-50.58
CC1=CC=C(OC2=CC=CC(NC(=O)COCC(=O)[O-])=C2)C(C)=C1	REAL300009356206	0	42	-1.0	-63.51	358.10	9.06	-54.45
CC1=CC=C(OC2=CC=CC(NC(=O)C3=CC=C(C(=O)[O-])C=N3)=C2)C(C)=C1	REAL300009356207	0	44	-1.0	-46.02	376.56	9.57	-36.45
CC1=CC=C(OC2=CC=CC(NC(=O)C(C)(C)C(=O)[O-])=C2)C(C)=C1	REAL300009356208	0	44	-1.0	-63.27	358.95	10.42	-52.85
CC1=CC=C(OC2=CC=CC(NC(=O)C(C(=O)[O-])C(C)C)=C2)C(C)=C1	REAL300009356209	0	47	-1.0	-53.74	375.61	10.10	-43.64
CC1=CC=C(OC2=CC=CC(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)C(C)=C1	REAL300009356210	0	48	-1.0	-63.87	387.20	10.90	-52.97
CC1=CC=C(OC2=CC=CC(NC(=O)CCCCC(=O)[O-])=C2)C(C)=C1	REAL300009356211	0	47	-1.0	-54.22	387.47	10.68	-43.54
CC1=CC=C(OC2=CC=CC(NC(=O)C3(C(=O)[O-])CCC3)=C2)C(C)=C1	REAL300009356212	0	45	-1.0	-48.63	365.79	10.22	-38.41
CC1=CC=C(OC2=CC=CC(NC(=O)C3=C(C(=O)[O-])C=NN3C)=C2)C(C)=C1	REAL300009356213	0	45	-1.0	-57.88	376.95	9.94	-47.94
CCC(CC)(C(=O)[O-])C(=O)NC1=CC=CC(OC2=CC=C(C)C=C2C)=C1	REAL300009356214	0	50	-1.0	-48.78	390.11	10.85	-37.93
CC1=CC=C(OC2=CC=CC(NC(=O)C3(C(=O)[O-])CC=CCC3)=C2)C(C)=C1	REAL300009356215	0	49	-1.0	-46.61	390.85	11.30	-35.31
CC1=CC=C(OC2=CC=CC(NC(=O)C3=CC=C(C(=O)[O-])N=C3)=C2)C(C)=C1	REAL300009356216	0	44	-1.0	-53.57	375.04	9.51	-44.06
CC1=CC=C(OC2=CC=CC(NC(=O)C3(C(=O)[O-])CCCCC3)=C2)C(C)=C1	REAL300009356217	0	51	-1.0	-45.24	396.07	11.40	-33.84
CC1=CC=C(OC2=CC=CC(NC(=O)C3=C(COCC(=O)[O-])OC=N3)=C2)C(C)=C1	REAL300009356218	0	48	-1.0	-63.45	410.86	6.81	-56.64
CC1=CC=C(OC2=CC=CC(NC(=O)C3(C(=O)[O-])CCCO3)=C2)C(C)=C1	REAL300009356219	0	46	-1.0	-56.06	377.43	9.23	-46.83
CC1=CC=C(OC2=CC=CC(NC(=O)C3(C(=O)[O-])CC=CC3)=C2)C(C)=C1	REAL300009356220	0	46	-1.0	-45.85	374.82	10.75	-35.10
CC1=CC=C(OC2=CC=CC(NC(=O)C(C(=O)[O-])C(C)(C)C)=C2)C(C)=C1	REAL300009356221	0	50	-1.0	-46.06	385.99	10.79	-35.27
CC1=CC=C(OC2=CC=CC(NC(=O)C(C(=O)[O-])C3CC3)=C2)C(C)=C1	REAL300009356222	0	45	-1.0	-51.20	373.94	10.49	-40.71
CC1=CC=C(OC2=CC=CC(NC(=O)C3(C(=O)[O-])CC4CCC3C4)=C2)C(C)=C1	REAL300009356223	0	52	-1.0	-54.94	403.65	11.62	-43.32
CC1=CC=C(OC2=CC=CC(NC(=O)C3CCC(C(=O)[O-])CC3)=C2)C(C)=C1	REAL300009356224	0	51	-1.0	-54.51	405.50	11.53	-42.98
CC1=CC=C(OC2=CC=CC(NC(=O)C3(C(=O)[O-])CCOCC3)=C2)C(C)=C1	REAL300009356225	0	49	-1.0	-49.89	387.44	9.03	-40.86
CC1=CC=C(OC2=CC=CC(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)=C2)C(C)=C1	REAL300009356226	0	54	-1.0	-53.49	418.94	11.58	-41.91
CC1=CC=C(OC2=CC=CC(NC(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2)C(C)=C1	REAL300009356227	0	49	-1.0	-53.38	410.17	11.58	-41.80
CC1=CC=C(OC2=CC=CC(NC(=O)C3=CC=CC(OCC(=O)[O-])=C3)=C2)C(C)=C1	REAL300009356228	0	49	-1.0	-61.90	410.25	11.57	-50.33
COC(C)(C(=O)[O-])C(=O)NC1=CC=CC(OC2=CC=C(C)C=C2C)=C1	REAL300009356229	0	45	-1.0	-50.74	364.78	9.24	-41.50
CC1=CC=C(OC2=CC=CC(NC(=O)C3(C(=O)[O-])CC3(C)C)=C2)C(C)=C1	REAL300009356230	0	48	-1.0	-42.74	380.44	10.97	-31.77
CC1=CC=C(OC2=CC=CC(NC(=O)C(C(=O)[O-])C3CCCC3)=C2)C(C)=C1	REAL300009356231	0	51	-1.0	-48.71	399.37	11.60	-37.11
CC1=CC=C(OC2=CC=CC(NC(=O)C3(C(=O)[O-])CCCCCC3)=C2)C(C)=C1	REAL300009356232	0	54	-1.0	-48.47	400.22	12.00	-36.47
CC1=CC=C(OC2=CC=CC(NC(=O)C3(C(=O)[O-])CCSCC3)=C2)C(C)=C1	REAL300009356233	0	49	-1.0	-50.58	395.24	11.21	-39.37
CC1=CC=C(OC2=CC=CC(NC(=O)[C@]3(C(=O)[O-])C[C@H]3C)=C2)C(C)=C1	REAL300009356234	0	45	-1.0	-47.84	368.32	10.34	-37.50
CC1=CC=C(OC2=CC=CC(NC(=O)C3=CN(CC(=O)[O-])N=N3)=C2)C(C)=C1	REAL300009356235	0	44	-1.0	-49.61	380.31	7.98	-41.63
CC1=CC=C(OC2=CC=CC(NC(=O)C3=CC(C(=O)[O-])=NN3C)=C2)C(C)=C1	REAL300009356236	0	45	-1.0	-55.78	381.20	9.26	-46.52
CC1=CC=C(OC2=CC=CC(NC(=O)C3COC(CCC(=O)[O-])C3)=C2)C(C)=C1	REAL300009356237	0	52	-1.0	-56.45	420.61	9.98	-46.47
CC1=CC=C(OC2=CC=CC(NC(=O)C3=COC(C=CC(=O)[O-])=C3)=C2)C(C)=C1	REAL300009356238	0	46	-1.0	-60.06	396.59	10.78	-49.28
CC1=CC=C(OC2=CC=CC(NC(=O)C=CC3=CC=C(C(=O)[O-])O3)=C2)C(C)=C1	REAL300009356239	0	46	-1.0	-52.42	399.74	11.11	-41.31
CC1=CC=C(OC2=CC=CC(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])=C2)C(C)=C1	REAL300009356240	0	45	-1.0	-54.68	371.52	10.28	-44.40
CC1=CC=C(OC2=CC=CC(NC(=O)C3=CC=CN(CC(=O)[O-])C3=O)=C2)C(C)=C1	REAL300009356241	0	48	-1.0	-54.50	402.59	11.02	-43.48
CC1=CC=C(OC2=CC=CC(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])=C2)C(C)=C1	REAL300009356242	0	45	-1.0	-70.30	365.80	11.12	-59.18
CC1=CC=C(OC2=CC=CC(NC(=O)C3CCCN(CC(=O)[O-])C3=O)=C2)C(C)=C1	REAL300009356243	0	52	-1.0	-57.73	419.77	10.55	-47.18
CC1=CC=C(OC2=CC=CC(NC(=O)C34CC(C(=O)[O-])(C3)C4)=C2)C(C)=C1	REAL300009356244	0	46	-1.0	-48.10	382.41	10.87	-37.23
CC1=CC=C(OC2=CC=CC(NC(=O)C3=CC(C(=O)[O-])=NN3)=C2)C(C)=C1	REAL300009356245	0	42	-1.0	-57.56	363.02	7.73	-49.83
CC1=CC=C(OC2=CC=CC(NC(=O)C3=NNC(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300009356245	1	42	-1.0	-47.72	364.24	7.66	-40.06
CC1=CC=C(OC2=CC=CC(NC(=O)C3(C(=O)[O-])CCCC3)=C2)C(C)=C1	REAL300009356246	0	48	-1.0	-47.09	380.94	10.87	-36.22
CC1=CC=C(OC2=CC=CC(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)=C2)C(C)=C1	REAL300009356247	0	51	-1.0	-64.12	405.12	11.52	-52.60
O=C([O-])C1=CC=CC(C(=O)NCC23COC(=O)N2CCOC3)=C1	REAL300009356248	0	38	-1.0	-65.53	311.98	4.30	-61.23
O=C([O-])C1=CC=C(C(=O)NCC23COC(=O)N2CCOC3)C=C1	REAL300009356249	0	38	-1.0	-55.65	317.75	3.83	-51.82
O=C([O-])C1CC(C(=O)NCC23COC(=O)N2CCOC3)=NN1C1=CC=CC=C1	REAL300009356250	0	47	-1.0	-58.62	381.78	5.00	-53.62
O=C([O-])C1=CC=C(C(=O)NCC23COC(=O)N2CCOC3)N=C1	REAL300009356251	0	37	-1.0	-50.57	309.38	2.56	-48.01
CC(C)C(C(=O)[O-])C(=O)NCC12COC(=O)N1CCOC2	REAL300009356252	0	40	-1.0	-53.13	318.61	2.84	-50.29
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC23COC(=O)N2CCOC3)C1	REAL300009356253	0	41	-1.0	-61.98	319.12	3.84	-58.14
O=C([O-])CCCCC(=O)NCC12COC(=O)N1CCOC2	REAL300009356254	0	40	-1.0	-55.24	326.05	3.23	-52.01
CN1N=CC(C(=O)[O-])=C1C(=O)NCC12COC(=O)N1CCOC2	REAL300009356255	0	38	-1.0	-57.40	323.84	1.22	-56.18
CCC(CC)(C(=O)[O-])C(=O)NCC12COC(=O)N1CCOC2	REAL300009356256	0	43	-1.0	-50.34	328.50	3.47	-46.87
O=C([O-])C1(C(=O)NCC23COC(=O)N2CCOC3)CC=CCC1	REAL300009356257	0	42	-1.0	-52.30	329.78	3.81	-48.49
O=C([O-])C1=CC=C(C(=O)NCC23COC(=O)N2CCOC3)C=N1	REAL300009356258	0	37	-1.0	-56.44	307.85	2.53	-53.91
O=C([O-])C1(C(=O)NCC23COC(=O)N2CCOC3)CCCCC1	REAL300009356259	0	44	-1.0	-50.13	327.16	4.21	-45.92
O=C([O-])COCC1=C(C(=O)NCC23COC(=O)N2CCOC3)N=CO1	REAL300009356260	0	41	-1.0	-65.28	344.24	-0.18	-65.46
O=C([O-])C1(C(=O)NCC23COC(=O)N2CCOC3)CCCO1	REAL300009356261	0	39	-1.0	-55.02	310.21	2.29	-52.73
O=C([O-])C1(C(=O)NCC23COC(=O)N2CCOC3)CC=CC1	REAL300009356262	0	39	-1.0	-59.20	314.37	3.35	-55.85
CC(C)(C)C(C(=O)[O-])C(=O)NCC12COC(=O)N1CCOC2	REAL300009356263	0	43	-1.0	-51.89	328.78	3.23	-48.66
O=C([O-])C1(C(=O)NCC23COC(=O)N2CCOC3)CC2CCC1C2	REAL300009356264	0	45	-1.0	-63.58	342.88	4.17	-59.41
O=C([O-])C1CCC(C(=O)NCC23COC(=O)N2CCOC3)CC1	REAL300009356265	0	44	-1.0	-57.04	336.30	4.50	-52.54
O=C([O-])C1(C(=O)NCC23COC(=O)N2CCOC3)CCOCC1	REAL300009356266	0	42	-1.0	-48.55	318.20	2.08	-46.47
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC12COC(=O)N1CCOC2	REAL300009356267	0	47	-1.0	-55.51	346.28	4.58	-50.93
O=C([O-])COC1=CC=C(C(=O)NCC23COC(=O)N2CCOC3)C=C1	REAL300009356268	0	42	-1.0	-54.67	348.77	4.11	-50.56
O=C([O-])COC1=CC=CC(C(=O)NCC23COC(=O)N2CCOC3)=C1	REAL300009356269	0	42	-1.0	-62.91	342.97	4.60	-58.31
COC(C)(C(=O)[O-])C(=O)NCC12COC(=O)N1CCOC2	REAL300009356270	0	38	-1.0	-51.60	303.34	1.91	-49.69
CC1(C)CC1(C(=O)[O-])C(=O)NCC12COC(=O)N1CCOC2	REAL300009356271	0	41	-1.0	-52.39	320.66	3.96	-48.43
O=C([O-])C(C(=O)NCC12COC(=O)N1CCOC2)C1CCCC1	REAL300009356272	0	44	-1.0	-53.08	329.61	4.57	-48.51
O=C([O-])C1(C(=O)NCC23COC(=O)N2CCOC3)CCCCCC1	REAL300009356273	0	47	-1.0	-52.84	339.57	4.71	-48.13
O=C([O-])C1(C(=O)NCC23COC(=O)N2CCOC3)CCSCC1	REAL300009356274	0	42	-1.0	-55.16	327.08	4.31	-50.85
O=C([O-])C1(C(=O)NCC23COC(=O)N2CCOC3)CCS(=O)(=O)CC1	REAL300009356275	0	44	-1.0	-57.99	346.05	0.56	-57.43
O=C([O-])CN1C=C(C(=O)NCC23COC(=O)N2CCOC3)N=N1	REAL300009356276	0	37	-1.0	-55.09	313.13	0.98	-54.11
CN1N=C(C(=O)[O-])C=C1C(=O)NCC12COC(=O)N1CCOC2	REAL300009356277	0	38	-1.0	-57.78	314.12	2.02	-55.76
O=C([O-])CCC1CC(C(=O)NCC23COC(=O)N2CCOC3)CO1	REAL300009356278	0	45	-1.0	-59.15	353.42	2.98	-56.17
O=C([O-])C=CC1=CC(C(=O)NCC23COC(=O)N2CCOC3)=CO1	REAL300009356279	0	39	-1.0	-61.73	329.39	3.76	-57.97
O=C(C=CC1=CC=C(C(=O)[O-])O1)NCC12COC(=O)N1CCOC2	REAL300009356280	0	39	-1.0	-58.46	338.36	3.65	-54.81
O=C([O-])CN1C=CC=C(C(=O)NCC23COC(=O)N2CCOC3)C1=O	REAL300009356281	0	41	-1.0	-68.04	341.74	3.48	-64.56
O=C([O-])CN1CCCC(C(=O)NCC23COC(=O)N2CCOC3)C1=O	REAL300009356282	0	45	-1.0	-59.11	352.15	3.65	-55.46
O=C([O-])C12CC(C(=O)NCC34COC(=O)N3CCOC4)(C1)C2	REAL300009356283	0	39	-1.0	-56.27	321.40	3.40	-52.87
O=C([O-])C1=NNC(C(=O)NCC23COC(=O)N2CCOC3)=C1	REAL300009356284	0	35	-1.0	-60.00	295.84	0.71	-59.29
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NCC23COC(=O)N2CCOC3)C=C1	REAL300009356285	0	47	-1.0	-59.35	366.73	5.99	-53.36
O=C([O-])C1(C(=O)NCC23COC(=O)N2CCOC3)CCCC1	REAL300009356286	0	41	-1.0	-49.74	314.04	3.93	-45.81
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC23COC(=O)N2CCOC3)C1	REAL300009356287	0	44	-1.0	-60.43	343.33	4.06	-56.37
O=C([O-])C1=CC=C(C(=O)NCC23COC(=O)N2CCOC3)C(Br)=C1	REAL300009356288	0	38	-1.0	-53.33	334.08	4.41	-48.92
CC1(C(F)(F)F)CN(C(=O)C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300009356289	0	35	-1.0	-54.40	297.53	6.42	-47.98
CC1(C(F)(F)F)CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300009356290	0	35	-1.0	-46.42	296.73	6.42	-40.00
CC1(C(F)(F)F)CN(C(=O)C2=NN(C3=CC=CC=C3)C(C(=O)[O-])C2)CCO1	REAL300009356291	0	44	-1.0	-48.15	362.56	7.63	-40.52
CC1(C(F)(F)F)CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CCO1	REAL300009356292	0	34	-1.0	-39.80	291.85	5.52	-34.28
CC1(C(F)(F)F)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300009356293	0	38	-1.0	-56.04	302.28	6.15	-49.89
CN1N=CC(C(=O)[O-])=C1C(=O)N1CCOC(C)(C(F)(F)F)C1	REAL300009356294	0	35	-1.0	-52.74	303.72	4.09	-48.65
CCC(CC)(C(=O)[O-])C(=O)N1CCOC(C)(C(F)(F)F)C1	REAL300009356295	0	40	-1.0	-40.00	303.59	5.60	-34.40
CC1(C(F)(F)F)CN(C(=O)C2(C(=O)[O-])CC=CCC2)CCO1	REAL300009356296	0	39	-1.0	-42.92	298.35	6.08	-36.84
CC1(C(F)(F)F)CN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CCO1	REAL300009356297	0	34	-1.0	-47.07	291.21	4.51	-42.56
CC1(C(F)(F)F)CN(C(=O)C2(C(=O)[O-])CCCCC2)CCO1	REAL300009356298	0	41	-1.0	-39.32	304.32	6.21	-33.11
CC1(C(F)(F)F)CN(C(=O)C2=C(COCC(=O)[O-])OC=N2)CCO1	REAL300009356299	0	38	-1.0	-55.22	326.77	3.24	-51.98
CC1(C(F)(F)F)CN(C(=O)C2(C(=O)[O-])CCCO2)CCO1	REAL300009356300	0	36	-1.0	-43.24	290.45	4.59	-38.65
CC1(C(F)(F)F)CN(C(=O)C2(C(=O)[O-])CC=CC2)CCO1	REAL300009356301	0	36	-1.0	-40.96	287.67	5.70	-35.26
CC(C)(C)C(C(=O)[O-])C(=O)N1CCOC(C)(C(F)(F)F)C1	REAL300009356302	0	40	-1.0	-34.97	297.56	5.88	-29.09
CC1(C(F)(F)F)CN(C(=O)C2(C(=O)[O-])CC3CCC2C3)CCO1	REAL300009356303	0	42	-1.0	-40.38	307.37	6.53	-33.85
CC1(C(F)(F)F)CN(C(=O)C2CCC(C(=O)[O-])CC2)CCO1	REAL300009356304	0	41	-1.0	-47.75	323.13	6.85	-40.90
CC1(C(F)(F)F)CN(C(=O)C2(C(=O)[O-])CCOCC2)CCO1	REAL300009356305	0	39	-1.0	-38.46	295.41	3.82	-34.64
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCOC(C)(C(F)(F)F)C1	REAL300009356306	0	44	-1.0	-44.17	328.79	6.78	-37.39
CC1(C(F)(F)F)CN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCO1	REAL300009356307	0	39	-1.0	-46.97	327.75	6.70	-40.27
CC1(C(F)(F)F)CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CCO1	REAL300009356308	0	39	-1.0	-48.17	328.67	6.72	-41.45
CC1(C)CC1(C(=O)[O-])C(=O)N1CCOC(C)(C(F)(F)F)C1	REAL300009356309	0	38	-1.0	-47.41	306.79	6.13	-41.28
CC1(C(F)(F)F)CN(C(=O)C(C(=O)[O-])C2CCCC2)CCO1	REAL300009356310	0	41	-1.0	-44.14	320.92	6.72	-37.42
CC1(C(F)(F)F)CN(C(=O)C2(C(=O)[O-])CCCCCC2)CCO1	REAL300009356311	0	44	-1.0	-38.97	305.69	6.64	-32.33
CC1(C(F)(F)F)CN(C(=O)C2(C(=O)[O-])CCSCC2)CCO1	REAL300009356312	0	39	-1.0	-35.38	299.37	5.81	-29.57
CC1(C(F)(F)F)CN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCO1	REAL300009356313	0	41	-1.0	-38.28	318.09	2.13	-36.15
CC1(C(F)(F)F)CN(C(=O)C2=CN(CC(=O)[O-])N=N2)CCO1	REAL300009356314	0	34	-1.0	-44.11	295.60	3.72	-40.39
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCOC(C)(C(F)(F)F)C1	REAL300009356315	0	35	-1.0	-47.41	297.53	4.11	-43.30
CC1(C(F)(F)F)CN(C(=O)C2COC(CCC(=O)[O-])C2)CCO1	REAL300009356316	0	42	-1.0	-54.24	338.45	5.48	-48.76
CC1(C(F)(F)F)CN(C(=O)C2=COC(C=CC(=O)[O-])=C2)CCO1	REAL300009356317	0	36	-1.0	-49.23	312.61	5.98	-43.25
CC1(C(F)(F)F)CN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CCO1	REAL300009356318	0	36	-1.0	-47.87	316.98	6.55	-41.32
CC1(C(F)(F)F)CN(C(=O)C2=CC=CN(CC(=O)[O-])C2=O)CCO1	REAL300009356319	0	38	-1.0	-60.39	327.94	6.02	-54.37
CC1(C(F)(F)F)CN(C(=O)C2CCCN(CC(=O)[O-])C2=O)CCO1	REAL300009356320	0	42	-1.0	-70.95	340.10	6.26	-64.69
CC1(C(F)(F)F)CN(C(=O)C2=NC=C(Br)C=C2C(=O)[O-])CCO1	REAL300009356321	0	34	-1.0	-48.92	314.21	6.01	-42.91
CC1(C(F)(F)F)CN(C(=O)C23CC(C(=O)[O-])(C2)C3)CCO1	REAL300009356322	0	36	-1.0	-45.96	295.41	6.14	-39.82
CC1(C(F)(F)F)CN(C(=O)C2=CC(C(=O)[O-])=NN2)CCO1	REAL300009356323	0	32	-1.0	-50.14	277.92	3.21	-46.93
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCOC(C)(C(F)(F)F)C2)C=C1	REAL300009356324	0	44	-1.0	-49.71	349.69	8.04	-41.67
CC1(C(F)(F)F)CN(C(=O)C2(C(=O)[O-])CCCC2)CCO1	REAL300009356325	0	38	-1.0	-37.74	289.15	5.72	-32.02
CC1(C(F)(F)F)CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCO1	REAL300009356326	0	41	-1.0	-55.88	322.61	6.82	-49.06
CC1(C(F)(F)F)CN(C(=O)C2=CC=C(C(=O)[O-])C=C2Br)CCO1	REAL300009356327	0	35	-1.0	-44.51	316.30	6.99	-37.52
O=C([O-])C1=CC=CC(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)=C1	REAL300009356328	0	43	-1.0	-63.71	377.78	5.81	-57.90
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)C=C1	REAL300009356329	0	43	-1.0	-55.13	377.77	5.82	-49.31
CC(C(=O)[O-])C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356330	0	39	-1.0	-60.61	340.42	4.44	-56.17
O=C([O-])CCCC(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356331	0	42	-1.0	-59.68	364.58	4.42	-55.26
O=C([O-])COCC(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356332	0	40	-1.0	-62.14	356.71	3.67	-58.47
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)N=C1	REAL300009356333	0	42	-1.0	-48.35	375.17	4.07	-44.28
CC(C)(C(=O)[O-])C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356334	0	42	-1.0	-61.69	357.66	5.01	-56.68
CC(C)C(C(=O)[O-])C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356335	0	45	-1.0	-51.99	378.64	4.82	-47.17
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)C1	REAL300009356336	0	46	-1.0	-61.87	386.21	5.37	-56.50
O=C([O-])CCCCC(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356337	0	45	-1.0	-55.13	386.08	5.20	-49.93
O=C([O-])C1(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)CCC1	REAL300009356338	0	43	-1.0	-50.21	364.55	4.80	-45.41
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356339	0	43	-1.0	-60.59	383.74	3.23	-57.36
CCC(CC)(C(=O)[O-])C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356340	0	48	-1.0	-52.90	392.47	5.12	-47.78
O=C([O-])C1(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)CC=CCC1	REAL300009356341	0	47	-1.0	-54.03	390.28	5.66	-48.37
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)C=N1	REAL300009356342	0	42	-1.0	-56.03	373.63	4.04	-51.99
O=C([O-])C1(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)CCCCC1	REAL300009356343	0	49	-1.0	-52.46	394.68	5.97	-46.49
O=C([O-])C1(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)CCCO1	REAL300009356344	0	44	-1.0	-56.93	376.70	3.74	-53.19
O=C([O-])C1(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)CC=CC1	REAL300009356345	0	44	-1.0	-52.11	374.25	5.34	-46.77
CC(C)(C)C(C(=O)[O-])C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356346	0	48	-1.0	-49.88	386.83	5.36	-44.52
O=C([O-])C(C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1)C1CC1	REAL300009356347	0	43	-1.0	-52.99	373.61	5.05	-47.94
O=C([O-])C1(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)CC2CCC1C2	REAL300009356348	0	50	-1.0	-56.21	402.81	6.14	-50.07
O=C([O-])C1CCC(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)CC1	REAL300009356349	0	49	-1.0	-64.61	396.03	5.87	-58.74
O=C([O-])C1(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)CCOCC1	REAL300009356350	0	47	-1.0	-51.09	386.05	3.62	-47.47
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356351	0	52	-1.0	-53.78	417.17	6.09	-47.69
O=C([O-])COC1=CC=C(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)C=C1	REAL300009356352	0	47	-1.0	-54.74	408.78	6.09	-48.65
O=C([O-])COC1=CC=CC(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)=C1	REAL300009356353	0	47	-1.0	-60.80	408.84	6.09	-54.71
COC(C)(C(=O)[O-])C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356354	0	43	-1.0	-51.96	363.36	3.88	-48.08
CC1(C)CC1(C(=O)[O-])C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356355	0	46	-1.0	-48.42	379.44	5.47	-42.95
O=C([O-])C(C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1)C1CCCC1	REAL300009356356	0	49	-1.0	-53.12	405.00	6.13	-46.99
O=C([O-])C1(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)CCCCCC1	REAL300009356357	0	52	-1.0	-56.63	399.71	6.85	-49.78
O=C([O-])C1(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)CCSCC1	REAL300009356358	0	47	-1.0	-50.97	391.97	5.82	-45.15
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356359	0	43	-1.0	-49.64	368.52	4.99	-44.65
O=C([O-])CN1C=C(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)N=N1	REAL300009356360	0	42	-1.0	-52.42	378.92	2.48	-49.94
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356361	0	43	-1.0	-57.10	380.20	3.47	-53.63
O=C([O-])CCC1CC(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)CO1	REAL300009356362	0	50	-1.0	-57.25	419.20	4.50	-52.75
O=C([O-])C=CC1=CC(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)=CO1	REAL300009356363	0	44	-1.0	-60.17	395.20	5.28	-54.89
O=C(C=CC1=CC=C(C(=O)[O-])O1)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356364	0	44	-1.0	-55.45	398.38	5.61	-49.84
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356365	0	43	-1.0	-60.77	369.55	4.79	-55.98
O=C([O-])CN1C=CC=C(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)C1=O	REAL300009356366	0	46	-1.0	-59.89	401.63	5.49	-54.40
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300009356367	0	43	-1.0	-59.12	366.38	4.67	-54.45
O=C([O-])C12CC(C(=O)NCC3=CC=C(CN4C(=O)CNC4=O)C=C3)(C1)C2	REAL300009356368	0	44	-1.0	-54.62	381.20	5.38	-49.24
O=C([O-])C1=NNC(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)=C1	REAL300009356369	0	40	-1.0	-58.75	361.63	2.23	-56.52
O=C([O-])C1(C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)CCCC1	REAL300009356370	0	46	-1.0	-52.34	381.93	5.49	-46.85
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2=CC=C(CN3C(=O)CNC3=O)C=C2)C1	REAL300009356371	0	49	-1.0	-62.95	403.89	6.05	-56.90
O=C([O-])C1CC(C(=O)NCC2CCOC2)=NN1C1=CC=CC=C1	REAL300009356372	0	41	-1.0	-50.51	339.20	5.00	-45.51
O=C([O-])C1(C(=O)NCC2CCOC2)CCS(=O)(=O)CC1	REAL300009356373	0	38	-1.0	-47.26	305.14	0.56	-46.70
O=C([O-])CN1C=C(Br)C=C(C(=O)NCC2CCOC2)C1=O	REAL300009356374	0	35	-1.0	-46.79	315.98	4.64	-42.15
O=C([O-])C1=CC(Br)=CN=C1C(=O)NCC1CCOC1	REAL300009356375	0	31	-1.0	-57.91	287.89	4.04	-53.87
O=C([O-])C1=CC=C(C(=O)NCC2CCOC2)C(Br)=C1	REAL300009356376	0	32	-1.0	-48.04	287.05	4.96	-43.08
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=CC=CC(C(=O)[O-])=C3)CC2)=C1	REAL300009356377	0	48	-1.0	-62.03	388.92	9.09	-52.94
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300009356378	0	48	-1.0	-52.70	388.92	9.08	-43.62
CC1=CC=CC(C(=O)NC2CCN(C(=O)C(C)C(=O)[O-])CC2)=C1	REAL300009356379	0	44	-1.0	-56.88	351.85	7.96	-48.92
CC1=CC=CC(C(=O)NC2CCN(C(=O)CCCC(=O)[O-])CC2)=C1	REAL300009356380	0	47	-1.0	-57.54	376.57	8.06	-49.48
CC1=CC=CC(C(=O)NC2CCN(C(=O)COCC(=O)[O-])CC2)=C1	REAL300009356381	0	45	-1.0	-59.99	368.70	7.34	-52.65
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=CC=C(C(=O)[O-])C=N3)CC2)=C1	REAL300009356382	0	47	-1.0	-46.32	384.28	8.19	-38.13
CC1=CC=CC(C(=O)NC2CCN(C(=O)C(C)(C)C(=O)[O-])CC2)=C1	REAL300009356383	0	47	-1.0	-47.44	359.04	7.27	-40.17
CC1=CC=CC(C(=O)NC2CCN(C(=O)C(C(=O)[O-])C(C)C)CC2)=C1	REAL300009356384	0	50	-1.0	-50.52	386.14	8.28	-42.24
CC1=CC=CC(C(=O)NC2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300009356385	0	51	-1.0	-59.75	397.43	8.93	-50.82
CC1=CC=CC(C(=O)NC2CCN(C(=O)CCCCC(=O)[O-])CC2)=C1	REAL300009356386	0	50	-1.0	-53.21	398.07	8.85	-44.36
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3(C(=O)[O-])CCC3)CC2)=C1	REAL300009356387	0	48	-1.0	-52.01	371.03	8.00	-44.01
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300009356388	0	48	-1.0	-62.23	396.38	6.76	-55.47
CCC(CC)(C(=O)[O-])C(=O)N1CCC(NC(=O)C2=CC=CC(C)=C2)CC1	REAL300009356389	0	53	-1.0	-50.48	396.51	8.31	-42.17
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3(C(=O)[O-])CC=CCC3)CC2)=C1	REAL300009356390	0	52	-1.0	-54.74	394.07	8.87	-45.87
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=CC=C(C(=O)[O-])N=C3)CC2)=C1	REAL300009356391	0	47	-1.0	-55.39	385.93	7.24	-48.15
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3(C(=O)[O-])CCCCC3)CC2)=C1	REAL300009356392	0	54	-1.0	-49.51	394.54	8.97	-40.54
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3(C(=O)[O-])CCCO3)CC2)=C1	REAL300009356393	0	49	-1.0	-54.68	382.94	7.28	-47.40
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)=C1	REAL300009356394	0	49	-1.0	-53.86	377.51	8.40	-45.46
CC1=CC=CC(C(=O)NC2CCN(C(=O)C(C(=O)[O-])C(C)(C)C)CC2)=C1	REAL300009356395	0	53	-1.0	-48.78	396.31	8.65	-40.13
CC1=CC=CC(C(=O)NC2CCN(C(=O)C(C(=O)[O-])C3CC3)CC2)=C1	REAL300009356396	0	48	-1.0	-48.20	373.14	8.37	-39.83
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3(C(=O)[O-])CC4CCC3C4)CC2)=C1	REAL300009356397	0	55	-1.0	-56.94	403.84	9.34	-47.60
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3CCC(C(=O)[O-])CC3)CC2)=C1	REAL300009356398	0	54	-1.0	-54.11	414.55	9.47	-44.64
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3(C(=O)[O-])CCOCC3)CC2)=C1	REAL300009356399	0	52	-1.0	-48.43	385.97	6.59	-41.84
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)CC2)=C1	REAL300009356400	0	57	-1.0	-52.65	418.31	9.52	-43.13
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=CC=C(OCC(=O)[O-])C=C3)CC2)=C1	REAL300009356401	0	52	-1.0	-53.03	419.47	9.36	-43.67
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=CC=CC(OCC(=O)[O-])=C3)CC2)=C1	REAL300009356402	0	52	-1.0	-54.75	420.76	9.38	-45.37
COC(C)(C(=O)[O-])C(=O)N1CCC(NC(=O)C2=CC=CC(C)=C2)CC1	REAL300009356403	0	48	-1.0	-51.46	364.41	6.68	-44.78
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3(C(=O)[O-])CC3(C)C)CC2)=C1	REAL300009356404	0	51	-1.0	-51.66	394.02	8.56	-43.10
CC1=CC=CC(C(=O)NC2CCN(C(=O)C(C(=O)[O-])C3CCCC3)CC2)=C1	REAL300009356405	0	54	-1.0	-54.27	412.44	9.51	-44.76
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3(C(=O)[O-])CCCCCC3)CC2)=C1	REAL300009356406	0	57	-1.0	-53.93	397.82	9.33	-44.60
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3(C(=O)[O-])CCSCC3)CC2)=C1	REAL300009356407	0	52	-1.0	-46.42	393.37	8.51	-37.91
CC1=CC=CC(C(=O)NC2CCN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)CC2)=C1	REAL300009356408	0	48	-1.0	-54.87	381.58	8.27	-46.60
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=CN(CC(=O)[O-])N=N3)CC2)=C1	REAL300009356409	0	47	-1.0	-50.78	387.94	6.36	-44.42
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=CC(C(=O)[O-])=NN3C)CC2)=C1	REAL300009356410	0	48	-1.0	-57.12	388.55	6.79	-50.33
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3COC(CCC(=O)[O-])C3)CC2)=C1	REAL300009356411	0	55	-1.0	-57.70	426.33	7.99	-49.71
CC1=CC=CC(C(=O)NC2CCN(C(=O)C3=COC(C=CC(=O)[O-])=C3)CC2)=C1	REAL300009356412	0	49	-1.0	-55.99	404.20	8.63	-47.36
CC1=CC=CC(C(=O)NC2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])O3)CC2)=C1	REAL300009356413	0	49	-1.0	-54.51	409.26	9.21	-45.30
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CCC(CC)(C(=O)[O-])C(=O)N1CCN(C2=CC=C(OC)C=C2OC)CC1	REAL300009356439	0	53	-1.0	-48.43	390.63	6.01	-42.42
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COC1=CC=C(N2CCN(C(=O)C(C(=O)[O-])C3CCCC3)CC2)C(OC)=C1	REAL300009356453	0	54	-1.0	-47.96	402.66	7.27	-40.69
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COC1=CC=C(N2CCN(C(=O)C3COC(CCC(=O)[O-])C3)CC2)C(OC)=C1	REAL300009356459	0	55	-1.0	-56.58	422.36	5.76	-50.82
COC1=CC=C(N2CCN(C(=O)C3=COC(C=CC(=O)[O-])=C3)CC2)C(OC)=C1	REAL300009356460	0	49	-1.0	-51.90	399.62	6.39	-45.51
COC1=CC=C(N2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])O3)CC2)C(OC)=C1	REAL300009356461	0	49	-1.0	-50.44	398.88	6.90	-43.54
COC1=CC=C(N2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)C(OC)=C1	REAL300009356462	0	48	-1.0	-56.64	370.63	6.09	-50.55
COC1=CC=C(N2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)C(OC)=C1	REAL300009356463	0	48	-1.0	-63.62	369.97	6.78	-56.84
COC1=CC=C(N2CCN(C(=O)C34CC(C(=O)[O-])(C3)C4)CC2)C(OC)=C1	REAL300009356464	0	49	-1.0	-49.06	382.52	6.51	-42.55
COC1=CC=C(N2CCN(C(=O)C3=CC(C(=O)[O-])=NN3)CC2)C(OC)=C1	REAL300009356465	0	45	-1.0	-53.00	365.02	3.63	-49.37
COC1=CC=C(N2CCN(C(=O)C3(C(=O)[O-])CCCC3)CC2)C(OC)=C1	REAL300009356466	0	51	-1.0	-46.32	372.66	6.13	-40.19
COC1=CC=C(N2CCN(C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)CC2)C(OC)=C1	REAL300009356467	0	54	-1.0	-57.27	408.89	7.20	-50.07
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CC(C)(C)C(C(=O)[O-])C(=O)NC1=CC=C(F)C(C(F)F)=C1	REAL300009356480	0	36	-1.0	-40.69	300.75	7.38	-33.31
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CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=C(F)C(C(F)F)=C2)C=C1	REAL300009356500	0	40	-1.0	-49.05	341.43	9.64	-39.41
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CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300009356504	0	38	-1.0	-61.43	331.54	10.04	-51.39
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300009356505	0	38	-1.0	-54.91	333.58	10.10	-44.81
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=NN(C2=CC=CC=C2)C(C(=O)[O-])C1	REAL300009356506	0	47	-1.0	-57.76	402.25	11.44	-46.32
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300009356507	0	37	-1.0	-47.20	329.61	9.35	-37.85
CN(CCC1=CC=CC(C#N)=C1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300009356508	0	41	-1.0	-58.31	342.23	9.94	-48.37
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=C(C(=O)[O-])C=NN1C	REAL300009356509	0	38	-1.0	-55.87	342.42	7.86	-48.01
CCC(CC)(C(=O)[O-])C(=O)N(C)CCC1=CC=CC(C#N)=C1	REAL300009356510	0	43	-1.0	-45.88	341.68	9.37	-36.51
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1(C(=O)[O-])CC=CCC1	REAL300009356511	0	42	-1.0	-47.22	338.26	9.96	-37.26
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300009356512	0	37	-1.0	-52.63	327.39	8.20	-44.43
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1(C(=O)[O-])CCCCC1	REAL300009356513	0	44	-1.0	-45.06	341.69	10.12	-34.94
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=C(COCC(=O)[O-])OC=N1	REAL300009356514	0	41	-1.0	-61.58	364.48	6.95	-54.63
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1(C(=O)[O-])CCCO1	REAL300009356515	0	39	-1.0	-52.18	330.29	8.49	-43.69
CN(CCC1=CC=CC(C#N)=C1)C(=O)C(C(=O)[O-])C(C)(C)C	REAL300009356516	0	43	-1.0	-48.93	347.28	9.74	-39.19
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1(C(=O)[O-])CC2CCC1C2	REAL300009356517	0	45	-1.0	-50.23	352.56	10.47	-39.76
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1CCC(C(=O)[O-])CC1	REAL300009356518	0	44	-1.0	-55.34	356.61	10.40	-44.94
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1(C(=O)[O-])CCOCC1	REAL300009356519	0	42	-1.0	-46.90	335.15	7.68	-39.22
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	REAL300009356520	0	47	-1.0	-51.74	369.37	10.48	-41.26
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300009356521	0	42	-1.0	-54.30	364.59	10.37	-43.93
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300009356522	0	42	-1.0	-61.98	364.42	10.36	-51.62
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1(C(=O)[O-])CC1(C)C	REAL300009356523	0	41	-1.0	-49.33	338.51	9.54	-39.79
CN(CCC1=CC=CC(C#N)=C1)C(=O)C(C(=O)[O-])C1CCCC1	REAL300009356524	0	44	-1.0	-50.25	358.18	10.54	-39.71
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1(C(=O)[O-])CCCCCC1	REAL300009356525	0	47	-1.0	-48.65	346.99	10.61	-38.04
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1(C(=O)[O-])CCSCC1	REAL300009356526	0	42	-1.0	-48.05	341.24	9.92	-38.13
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300009356527	0	44	-1.0	-51.04	360.73	6.14	-44.90
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=CN(CC(=O)[O-])N=N1	REAL300009356528	0	37	-1.0	-48.39	334.27	7.39	-41.00
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=CC(C(=O)[O-])=NN1C	REAL300009356529	0	38	-1.0	-52.95	332.88	7.81	-45.14
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1COC(CCC(=O)[O-])C1	REAL300009356530	0	45	-1.0	-57.34	373.74	9.04	-48.30
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300009356531	0	39	-1.0	-55.62	347.87	9.61	-46.01
CN(CCC1=CC=CC(C#N)=C1)C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300009356532	0	39	-1.0	-52.68	355.19	10.26	-42.42
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300009356533	0	41	-1.0	-54.73	362.15	9.64	-45.09
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1CCCN(CC(=O)[O-])C1=O	REAL300009356534	0	45	-1.0	-59.85	373.81	9.31	-50.54
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=NC=C(Br)C=C1C(=O)[O-]	REAL300009356535	0	37	-1.0	-50.79	352.71	9.66	-41.13
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300009356536	0	47	-1.0	-54.30	388.37	11.77	-42.53
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1(C(=O)[O-])CCCC1	REAL300009356537	0	41	-1.0	-49.82	330.86	9.61	-40.21
CN(CCC1=CC=CC(C#N)=C1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300009356538	0	44	-1.0	-59.48	358.17	10.47	-49.01
CN(CCC1=CC=CC(C#N)=C1)C(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300009356539	0	38	-1.0	-50.09	348.20	10.66	-39.43
CN1CCN2N=CC(CNC(=O)C3=CC=CC(C(=O)[O-])=C3)=C2C1	REAL300009356540	0	40	-1.0	-58.64	335.11	4.04	-54.60
CN1CCN2N=CC(CNC(=O)C3=CC=C(C(=O)[O-])C=C3)=C2C1	REAL300009356541	0	40	-1.0	-50.22	335.10	4.05	-46.17
CN1CCN2N=CC(CNC(=O)C3=NN(C4=CC=CC=C4)C(C(=O)[O-])C3)=C2C1	REAL300009356542	0	49	-1.0	-53.01	404.91	4.74	-48.27
CN1CCN2N=CC(CNC(=O)C3=CC=C(C(=O)[O-])C=N3)=C2C1	REAL300009356543	0	39	-1.0	-44.57	332.52	2.30	-42.27
CN1CCN2N=CC(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=C2C1	REAL300009356544	0	43	-1.0	-57.30	343.56	3.60	-53.70
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1=C2CN(C)CCN2N=C1	REAL300009356545	0	40	-1.0	-56.96	341.08	1.46	-55.50
CCC(CC)(C(=O)[O-])C(=O)NCC1=C2CN(C)CCN2N=C1	REAL300009356546	0	45	-1.0	-44.45	345.35	3.46	-40.99
CN1CCN2N=CC(CNC(=O)C3(C(=O)[O-])CC=CCC3)=C2C1	REAL300009356547	0	44	-1.0	-47.38	347.00	4.02	-43.36
CN1CCN2N=CC(CNC(=O)C3=CC=C(C(=O)[O-])N=C3)=C2C1	REAL300009356548	0	39	-1.0	-51.10	330.98	2.27	-48.83
CN1CCN2N=CC(CNC(=O)C3(C(=O)[O-])CCCCC3)=C2C1	REAL300009356549	0	46	-1.0	-48.75	352.02	4.21	-44.54
CN1CCN2N=CC(CNC(=O)C3=C(COCC(=O)[O-])OC=N3)=C2C1	REAL300009356550	0	43	-1.0	-56.26	367.38	-0.45	-56.71
CN1CCN2N=CC(CNC(=O)C3(C(=O)[O-])CCCO3)=C2C1	REAL300009356551	0	41	-1.0	-50.35	328.95	1.60	-48.75
CN1CCN2N=CC(CNC(=O)C3(C(=O)[O-])CC=CC3)=C2C1	REAL300009356552	0	41	-1.0	-48.25	331.57	3.57	-44.68
CN1CCN2N=CC(CNC(=O)C(C(=O)[O-])C(C)(C)C)=C2C1	REAL300009356553	0	45	-1.0	-44.67	346.14	3.43	-41.24
CN1CCN2N=CC(CNC(=O)C3(C(=O)[O-])CC4CCC3C4)=C2C1	REAL300009356554	0	47	-1.0	-49.74	360.21	4.37	-45.37
CN1CCN2N=CC(CNC(=O)C3CCC(C(=O)[O-])CC3)=C2C1	REAL300009356555	0	46	-1.0	-51.03	356.19	3.91	-47.12
CN1CCN2N=CC(CNC(=O)C3(C(=O)[O-])CCOCC3)=C2C1	REAL300009356556	0	44	-1.0	-47.33	343.38	1.84	-45.49
CN1CCN2N=CC(CNC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)=C2C1	REAL300009356557	0	49	-1.0	-47.28	374.50	4.32	-42.96
CN1CCN2N=CC(CNC(=O)C3=CC=C(OCC(=O)[O-])C=C3)=C2C1	REAL300009356558	0	44	-1.0	-49.92	366.11	4.33	-45.59
CN1CCN2N=CC(CNC(=O)C3=CC=CC(OCC(=O)[O-])=C3)=C2C1	REAL300009356559	0	44	-1.0	-56.00	366.19	4.32	-51.68
CN1CCN2N=CC(CNC(=O)C3(C(=O)[O-])CC3(C)C)=C2C1	REAL300009356560	0	43	-1.0	-44.01	331.75	3.33	-40.68
CN1CCN2N=CC(CNC(=O)C(C(=O)[O-])C3CCCC3)=C2C1	REAL300009356561	0	46	-1.0	-48.97	362.16	4.30	-44.67
CN1CCN2N=CC(CNC(=O)C3(C(=O)[O-])CCCCCC3)=C2C1	REAL300009356562	0	49	-1.0	-49.39	356.70	4.93	-44.46
CN1CCN2N=CC(CNC(=O)C3(C(=O)[O-])CCSCC3)=C2C1	REAL300009356563	0	44	-1.0	-44.85	350.30	4.05	-40.80
CN1CCN2N=CC(CNC(=O)C3(C(=O)[O-])CCS(=O)(=O)CC3)=C2C1	REAL300009356564	0	46	-1.0	-47.18	367.52	0.30	-46.88
CN1CCN2N=CC(CNC(=O)C3=CN(CC(=O)[O-])N=N3)=C2C1	REAL300009356565	0	39	-1.0	-48.28	336.27	0.71	-47.57
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1=C2CN(C)CCN2N=C1	REAL300009356566	0	40	-1.0	-52.15	337.55	1.70	-50.45
CN1CCN2N=CC(CNC(=O)C3COC(CCC(=O)[O-])C3)=C2C1	REAL300009356567	0	47	-1.0	-52.53	376.55	2.73	-49.80
CN1CCN2N=CC(CNC(=O)C3=COC(C=CC(=O)[O-])=C3)=C2C1	REAL300009356568	0	41	-1.0	-55.49	352.53	3.50	-51.99
CN1CCN2N=CC(CNC(=O)C=CC3=CC=C(C(=O)[O-])O3)=C2C1	REAL300009356569	0	41	-1.0	-50.52	350.67	3.48	-47.04
CN1CCN2N=CC(CNC(=O)C3=CC=CN(CC(=O)[O-])C3=O)=C2C1	REAL300009356570	0	43	-1.0	-54.14	358.98	3.72	-50.42
CN1CCN2N=CC(CNC(=O)C3CCCN(CC(=O)[O-])C3=O)=C2C1	REAL300009356571	0	47	-1.0	-60.27	371.04	2.94	-57.33
CN1CCN2N=CC(CNC(=O)C3=NC=C(Br)C=C3C(=O)[O-])=C2C1	REAL300009356572	0	39	-1.0	-51.73	351.55	3.36	-48.37
CN1CCN2N=CC(CNC(=O)C34CC(C(=O)[O-])(C3)C4)=C2C1	REAL300009356573	0	41	-1.0	-49.74	333.48	3.24	-46.50
CN1CCN2N=CC(CNC(=O)C3=CC(C(=O)[O-])=NN3)=C2C1	REAL300009356574	0	37	-1.0	-53.82	318.97	0.45	-53.37
CN1CCN2N=CC(CNC(=O)C3=CC=C(C(C)(C)C(=O)[O-])C=C3)=C2C1	REAL300009356575	0	49	-1.0	-51.45	383.15	5.29	-46.16
CN1CCN2N=CC(CNC(=O)C3(C(=O)[O-])CCCC3)=C2C1	REAL300009356576	0	43	-1.0	-48.57	339.27	3.72	-44.85
CN1CCN2N=CC(CNC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)=C2C1	REAL300009356577	0	46	-1.0	-57.32	360.71	4.26	-53.06
CN1CCN2N=CC(CNC(=O)C3=CC=C(C(=O)[O-])C=C3Br)=C2C1	REAL300009356578	0	40	-1.0	-48.43	351.32	4.65	-43.78
COC1=CC=CC2=C1OCC(NC(=O)C1=CC=CC(C(=O)[O-])=C1)C2	REAL300009356579	0	40	-1.0	-65.40	335.54	7.13	-58.27
COC1=CC=CC2=C1OCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300009356580	0	40	-1.0	-54.33	335.53	7.13	-47.20
COC1=CC=CC2=C1OCC(NC(=O)C1=NN(C3=CC=CC=C3)C(C(=O)[O-])C1)C2	REAL300009356581	0	49	-1.0	-54.85	403.57	7.76	-47.09
COC1=CC=CC2=C1OCC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300009356582	0	39	-1.0	-46.66	332.94	5.41	-41.25
COC1=CC=CC2=C1OCC(NC(=O)C(C(=O)[O-])C(C)C)C2	REAL300009356583	0	42	-1.0	-49.41	336.40	6.14	-43.27
COC1=CC=CC2=C1OCC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300009356584	0	43	-1.0	-63.87	343.30	6.72	-57.15
COC1=CC=CC2=C1OCC(NC(=O)CCCCC(=O)[O-])C2	REAL300009356585	0	42	-1.0	-54.84	343.84	6.52	-48.32
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])CCC1)C2	REAL300009356586	0	40	-1.0	-45.96	322.33	6.12	-39.84
COC1=CC=CC2=C1OCC(NC(=O)C1=C(C(=O)[O-])C=NN1C)C2	REAL300009356587	0	40	-1.0	-58.01	341.44	4.56	-53.45
CCC(CC)(C(=O)[O-])C(=O)NC1COC2=C(C=CC=C2OC)C1	REAL300009356588	0	45	-1.0	-49.02	350.23	6.44	-42.58
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])CC=CCC1)C2	REAL300009356589	0	44	-1.0	-50.34	348.04	7.00	-43.34
COC1=CC=CC2=C1OCC(NC(=O)C1=CC=C(C(=O)[O-])N=C1)C2	REAL300009356590	0	39	-1.0	-54.53	331.40	5.35	-49.18
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])CCCCC1)C2	REAL300009356591	0	46	-1.0	-48.25	352.44	7.29	-40.96
COC1=CC=CC2=C1OCC(NC(=O)C1=C(COCC(=O)[O-])OC=N1)C2	REAL300009356592	0	43	-1.0	-62.32	367.80	2.65	-59.67
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])CCCO1)C2	REAL300009356593	0	41	-1.0	-52.76	334.47	5.07	-47.69
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])CC=CC1)C2	REAL300009356594	0	41	-1.0	-47.99	332.01	6.66	-41.33
COC1=CC=CC2=C1OCC(NC(=O)C(C(=O)[O-])C(C)(C)C)C2	REAL300009356595	0	45	-1.0	-46.40	344.59	6.68	-39.72
COC1=CC=CC2=C1OCC(NC(=O)C(C(=O)[O-])C1CC1)C2	REAL300009356596	0	40	-1.0	-45.96	327.00	6.56	-39.40
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])CC3CCC1C3)C2	REAL300009356597	0	47	-1.0	-53.25	360.65	7.45	-45.80
COC1=CC=CC2=C1OCC(NC(=O)C1CCC(C(=O)[O-])CC1)C2	REAL300009356598	0	46	-1.0	-67.73	353.81	7.19	-60.54
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])CCOCC1)C2	REAL300009356599	0	44	-1.0	-48.85	343.79	4.92	-43.93
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)C2	REAL300009356600	0	49	-1.0	-48.18	371.56	7.48	-40.70
COC1=CC=CC2=C1OCC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C2	REAL300009356601	0	44	-1.0	-54.17	366.54	7.42	-46.75
COC1=CC=CC2=C1OCC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C2	REAL300009356602	0	44	-1.0	-62.18	366.61	7.41	-54.77
COC1=CC=CC2=C1OCC(NC(=O)C(C)(OC)C(=O)[O-])C2	REAL300009356603	0	40	-1.0	-49.12	321.11	5.19	-43.93
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])CC1(C)C)C2	REAL300009356604	0	43	-1.0	-44.27	337.21	6.79	-37.48
COC1=CC=CC2=C1OCC(NC(=O)C(C(=O)[O-])C1CCCC1)C2	REAL300009356605	0	46	-1.0	-47.62	357.32	7.43	-40.19
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])CCCCCC1)C2	REAL300009356606	0	49	-1.0	-53.49	355.33	8.10	-45.39
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])CCSCC1)C2	REAL300009356607	0	44	-1.0	-49.89	350.71	7.11	-42.78
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C2	REAL300009356608	0	46	-1.0	-52.47	369.63	3.40	-49.07
COC1=CC=CC2=C1OCC(NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)C2	REAL300009356609	0	40	-1.0	-46.00	326.28	6.30	-39.70
COC1=CC=CC2=C1OCC(NC(=O)C1=CN(CC(=O)[O-])N=N1)C2	REAL300009356610	0	39	-1.0	-50.11	336.69	3.81	-46.30
COC1=CC=CC2=C1OCC(NC(=O)C1=CC(C(=O)[O-])=NN1C)C2	REAL300009356611	0	40	-1.0	-53.88	337.99	4.78	-49.10
COC1=CC=CC2=C1OCC(NC(=O)C1COC(CCC(=O)[O-])C1)C2	REAL300009356612	0	47	-1.0	-57.50	376.98	5.82	-51.68
COC1=CC=CC2=C1OCC(NC(=O)C1=COC(C=CC(=O)[O-])=C1)C2	REAL300009356613	0	41	-1.0	-60.79	352.95	6.62	-54.17
COC1=CC=CC2=C1OCC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C2	REAL300009356614	0	41	-1.0	-53.05	356.14	6.94	-46.11
COC1=CC=CC2=C1OCC(NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C2	REAL300009356615	0	40	-1.0	-59.68	327.25	6.11	-53.57
COC1=CC=CC2=C1OCC(NC(=O)C1=CC=CN(CC(=O)[O-])C1=O)C2	REAL300009356616	0	43	-1.0	-54.71	359.33	6.83	-47.88
COC1=CC=CC2=C1OCC(NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C2	REAL300009356617	0	40	-1.0	-60.77	323.06	5.98	-54.79
COC1=CC=CC2=C1OCC(NC(=O)C1CCCN(CC(=O)[O-])C1=O)C2	REAL300009356618	0	47	-1.0	-52.23	376.63	6.41	-45.82
COC1=CC=CC2=C1OCC(NC(=O)C13CC(C(=O)[O-])(C1)C3)C2	REAL300009356619	0	41	-1.0	-53.43	338.96	6.70	-46.73
COC1=CC=CC2=C1OCC(NC(=O)C1=CC(C(=O)[O-])=NN1)C2	REAL300009356620	0	37	-1.0	-58.25	319.40	3.55	-54.70
COC1=CC=CC2=C1OCC(NC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C2	REAL300009356621	0	49	-1.0	-57.54	390.38	8.80	-48.74
COC1=CC=CC2=C1OCC(NC(=O)C1(C(=O)[O-])CCCC1)C2	REAL300009356622	0	43	-1.0	-48.32	339.68	6.79	-41.53
COC1=CC=CC2=C1OCC(NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C2	REAL300009356623	0	46	-1.0	-63.82	361.12	7.36	-56.46
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O=C([O-])CN1C=CC=C(C(=O)NC2=NN(CCF)C=C2)C1=O	REAL300009356630	0	34	-1.0	-57.68	302.91	6.49	-51.19
O=C([O-])CN1C=C(Br)C=C(C(=O)NC2=NN(CCF)C=C2)C1=O	REAL300009356631	0	34	-1.0	-51.37	324.18	7.10	-44.27
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CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=NN(CCF)C=C2)C=C1	REAL300009356634	0	40	-1.0	-52.14	333.86	8.47	-43.67
O=C([O-])C1=CC=C(C(=O)NC2=NN(CCF)C=C2)C(Br)=C1	REAL300009356635	0	31	-1.0	-48.18	295.23	7.42	-40.76
CC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)[O-])C1)C1=CC=NN1C	REAL300009356636	0	43	-1.0	-51.65	359.20	6.21	-45.44
CC(NC(=O)C1=C(COCC(=O)[O-])OC=N1)C1=CC=NN1C	REAL300009356637	0	37	-1.0	-56.17	321.65	1.01	-55.16
CC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=NN1C	REAL300009356638	0	38	-1.0	-49.89	320.43	5.79	-44.10
CC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=CC=NN1C	REAL300009356639	0	38	-1.0	-55.89	325.72	5.85	-50.04
CC(NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1=CC=NN1C	REAL300009356640	0	40	-1.0	-45.86	328.73	1.84	-44.02
CC(NC(=O)C1=CC=CN(CC(=O)[O-])C1=O)C1=CC=NN1C	REAL300009356641	0	37	-1.0	-52.64	318.01	5.23	-47.41
CC(NC(=O)C1=CC(Br)=CN(CC(=O)[O-])C1=O)C1=CC=NN1C	REAL300009356642	0	37	-1.0	-46.88	339.28	5.84	-41.04
CC(NC(=O)C1CCCN(CC(=O)[O-])C1=O)C1=CC=NN1C	REAL300009356643	0	41	-1.0	-50.43	335.81	4.84	-45.59
CC(NC(=O)C1=NC=C(Br)C=C1C(=O)[O-])C1=CC=NN1C	REAL300009356644	0	33	-1.0	-49.94	306.17	4.73	-45.21
CC(NC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=CC=NN1C	REAL300009356645	0	43	-1.0	-52.09	344.23	7.16	-44.93
CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1Br)C1=CC=NN1C	REAL300009356646	0	34	-1.0	-48.27	305.61	6.10	-42.17
CC(C(=O)[O-])C(=O)N1CCCC1CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300009356647	0	48	-1.0	-57.54	380.24	12.04	-45.50
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O=C([O-])COCC(=O)N1CCCC1CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300009356649	0	49	-1.0	-58.37	403.43	11.62	-46.75
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC2CC2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300009356650	0	55	-1.0	-63.16	418.68	12.96	-50.20
O=C([O-])CCCCC(=O)N1CCCC1CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300009356651	0	54	-1.0	-50.18	432.80	13.18	-37.00
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCCC1CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300009356652	0	52	-1.0	-64.38	415.68	12.73	-51.65
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC1CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300009356653	0	52	-1.0	-67.85	408.77	13.62	-54.23
O=C([O-])C12CC(C(=O)N3CCCC3CC3=CC=CC(OC4=CC=CC=C4)=C3)(C1)C2	REAL300009356654	0	53	-1.0	-49.75	424.73	13.15	-36.60
O=C([O-])C1=NNC(C(=O)N2CCCC2CC2=CC=CC(OC3=CC=CC=C3)=C2)=C1	REAL300009356655	0	49	-1.0	-58.50	395.05	10.15	-48.35
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)[O-])C1)C(N)=O	REAL300009356656	0	44	-1.0	-58.53	384.06	4.04	-54.49
CSCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C(N)=O	REAL300009356657	0	41	-1.0	-55.11	342.15	3.66	-51.45
CSCC[C@H](NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(N)=O	REAL300009356658	0	39	-1.0	-54.39	347.04	3.71	-50.68
CSCC[C@H](NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C(N)=O	REAL300009356659	0	39	-1.0	-60.84	347.11	3.70	-57.14
CSCC[C@H](NC(=O)C1=CN(CC(=O)[O-])N=N1)C(N)=O	REAL300009356660	0	34	-1.0	-54.53	317.19	0.09	-54.44
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C)C(N)=O	REAL300009356661	0	35	-1.0	-57.34	318.37	1.08	-56.26
CSCC[C@H](NC(=O)C1COC(CCC(=O)[O-])C1)C(N)=O	REAL300009356662	0	42	-1.0	-56.93	357.47	2.09	-54.84
CSCC[C@H](NC(=O)C1=COC(C=CC(=O)[O-])=C1)C(N)=O	REAL300009356663	0	36	-1.0	-59.95	333.45	2.88	-57.07
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C(N)=O	REAL300009356664	0	36	-1.0	-55.07	336.61	3.21	-51.86
CSCC[C@H](NC(=O)C1=CC=CN(CC(=O)[O-])C1=O)C(N)=O	REAL300009356665	0	38	-1.0	-58.10	339.97	3.08	-55.02
CSCC[C@H](NC(=O)C1CCCN(CC(=O)[O-])C1=O)C(N)=O	REAL300009356666	0	42	-1.0	-70.83	356.96	2.69	-68.14
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C(N)=O	REAL300009356667	0	44	-1.0	-57.69	369.12	5.05	-52.64
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C(N)=O	REAL300009356668	0	41	-1.0	-62.98	342.16	3.66	-59.32
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(N)=O	REAL300009356669	0	35	-1.0	-53.14	332.24	4.03	-49.11
NS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300009356670	0	30	-1.0	-65.09	295.56	0.99	-64.10
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300009356671	0	30	-1.0	-54.50	295.59	0.99	-53.51
NS(=O)(=O)C1=CC(NC(=O)C2=NN(C3=CC=CC=C3)C(C(=O)[O-])C2)=CS1	REAL300009356672	0	39	-1.0	-57.88	364.96	1.70	-56.18
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)=CS1	REAL300009356673	0	29	-1.0	-48.05	292.56	-0.74	-48.79
CC(C)C(C(=O)[O-])C(=O)NC1=CSC(S(N)(=O)=O)=C1	REAL300009356674	0	32	-1.0	-50.52	296.34	-0.02	-50.54
NS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=CS1	REAL300009356675	0	33	-1.0	-62.47	302.35	0.58	-61.89
NS(=O)(=O)C1=CC(NC(=O)CCCCC(=O)[O-])=CS1	REAL300009356676	0	32	-1.0	-56.48	303.52	0.37	-56.11
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CCC2)=CS1	REAL300009356677	0	30	-1.0	-45.17	282.44	-0.05	-45.22
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CSC(S(N)(=O)=O)=C1	REAL300009356678	0	30	-1.0	-61.79	290.03	-0.35	-62.14
CCC(CC)(C(=O)[O-])C(=O)NC1=CSC(S(N)(=O)=O)=C1	REAL300009356679	0	35	-1.0	-48.71	305.88	0.32	-48.39
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC=CCC2)=CS1	REAL300009356680	0	34	-1.0	-46.88	307.99	0.81	-46.07
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)=CS1	REAL300009356681	0	29	-1.0	-55.65	291.11	-0.80	-56.45
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CCCCC2)=CS1	REAL300009356682	0	36	-1.0	-49.93	312.56	0.93	-49.00
NS(=O)(=O)C1=CC(NC(=O)C2=C(COCC(=O)[O-])OC=N2)=CS1	REAL300009356683	0	33	-1.0	-64.22	327.50	-3.50	-67.72
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CCCO2)=CS1	REAL300009356684	0	31	-1.0	-55.33	294.39	-1.07	-56.40
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC=CC2)=CS1	REAL300009356685	0	31	-1.0	-48.84	292.24	0.50	-48.34
CC(C)(C)C(C(=O)[O-])C(=O)NC1=CSC(S(N)(=O)=O)=C1	REAL300009356686	0	35	-1.0	-47.80	306.09	0.36	-47.44
NS(=O)(=O)C1=CC(NC(=O)C(C(=O)[O-])C2CC2)=CS1	REAL300009356687	0	30	-1.0	-49.93	290.97	0.21	-49.72
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC3CCC2C3)=CS1	REAL300009356688	0	37	-1.0	-53.69	319.83	1.31	-52.38
NS(=O)(=O)C1=CC(NC(=O)C2CCC(C(=O)[O-])CC2)=CS1	REAL300009356689	0	36	-1.0	-55.61	321.14	1.22	-54.39
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CCOCC2)=CS1	REAL300009356690	0	34	-1.0	-48.76	303.59	-1.28	-50.04
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1=CSC(S(N)(=O)=O)=C1	REAL300009356691	0	39	-1.0	-49.32	334.35	1.25	-48.07
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CS1	REAL300009356692	0	34	-1.0	-56.63	326.17	1.27	-55.36
NS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)=CS1	REAL300009356693	0	34	-1.0	-62.36	326.46	1.27	-61.09
COC(C)(C(=O)[O-])C(=O)NC1=CSC(S(N)(=O)=O)=C1	REAL300009356694	0	30	-1.0	-50.21	280.78	-1.06	-51.27
CC1(C)CC1(C(=O)[O-])C(=O)NC1=CSC(S(N)(=O)=O)=C1	REAL300009356695	0	33	-1.0	-44.94	296.76	0.61	-44.33
NS(=O)(=O)C1=CC(NC(=O)C(C(=O)[O-])C2CCCC2)=CS1	REAL300009356696	0	36	-1.0	-50.92	322.35	1.23	-49.69
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NS(=O)(=O)C1=CC(NC(=O)C2=NNC(C(=O)[O-])=C2)=CS1	REAL300009356711	1	27	-1.0	-48.95	280.25	-2.66	-51.61
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COC1=CC=CC=C1[C@@H](C)NC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300009356719	0	37	-1.0	-50.60	315.62	5.65	-44.95
COC1=CC=CC=C1[C@@H](C)NC(=O)C1(C(=O)[O-])CCCCC1	REAL300009356720	0	44	-1.0	-48.96	336.65	7.60	-41.36
COC1=CC=CC=C1[C@@H](C)NC(=O)C1=C(COCC(=O)[O-])OC=N1	REAL300009356721	0	41	-1.0	-58.24	351.99	2.95	-55.29
COC1=CC=CC=C1[C@@H](C)NC(=O)C1(C(=O)[O-])CC2CCC1C2	REAL300009356722	0	45	-1.0	-52.46	345.00	7.77	-44.69
COC1=CC=CC=C1[C@@H](C)NC(=O)C1CCC(C(=O)[O-])CC1	REAL300009356723	0	44	-1.0	-51.27	345.85	7.67	-43.60
COC1=CC=CC=C1[C@@H](C)NC(=O)C1(C(=O)[O-])CCOCC1	REAL300009356724	0	42	-1.0	-47.47	328.00	5.23	-42.24
COC1=CC=CC=C1[C@@H](C)NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	REAL300009356725	0	47	-1.0	-53.58	356.98	8.02	-45.56
COC1=CC=CC=C1[C@@H](C)NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300009356726	0	42	-1.0	-50.40	350.75	7.73	-42.67
COC1=CC=CC=C1[C@@H](C)NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300009356727	0	42	-1.0	-57.88	350.80	7.72	-50.16
COC1=CC=CC=C1[C@@H](C)NC(=O)C(C(=O)[O-])C1CCCC1	REAL300009356728	0	44	-1.0	-49.64	346.96	7.75	-41.89
COC1=CC=CC=C1[C@@H](C)NC(=O)C1(C(=O)[O-])CCCCCC1	REAL300009356729	0	47	-1.0	-51.65	341.51	8.37	-43.28
COC1=CC=CC=C1[C@@H](C)NC(=O)C1(C(=O)[O-])CCSCC1	REAL300009356730	0	42	-1.0	-45.88	333.92	7.45	-38.43
COC1=CC=CC=C1[C@@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300009356731	0	44	-1.0	-48.81	353.82	3.69	-45.12
COC1=CC=CC=C1[C@@H](C)NC(=O)C1=CN(CC(=O)[O-])N=N1	REAL300009356732	0	37	-1.0	-47.99	320.89	4.11	-43.88
COC1=CC=CC=C1[C@@H](C)NC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300009356733	0	38	-1.0	-50.94	321.61	5.10	-45.84
COC1=CC=CC=C1[C@@H](C)NC(=O)C1COC(CCC(=O)[O-])C1	REAL300009356734	0	45	-1.0	-53.16	361.18	6.12	-47.04
COC1=CC=CC=C1[C@@H](C)NC(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300009356735	0	39	-1.0	-56.37	337.17	6.89	-49.48
COC1=CC=CC=C1[C@@H](C)NC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300009356736	0	39	-1.0	-50.07	340.34	7.25	-42.82
COC1=CC=CC=C1[C@@H](C)NC(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300009356737	0	41	-1.0	-54.61	343.59	7.12	-47.49
COC1=CC=CC=C1[C@@H](C)NC(=O)C1CCCN(CC(=O)[O-])C1=O	REAL300009356738	0	45	-1.0	-59.21	360.65	6.70	-52.51
COC1=CC=CC=C1[C@@H](C)NC(=O)C1=NC=C(Br)C=C1C(=O)[O-]	REAL300009356739	0	37	-1.0	-61.24	336.79	7.10	-54.14
COC1=CC=CC=C1[C@@H](C)NC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300009356740	0	47	-1.0	-53.30	374.57	9.11	-44.19
COC1=CC=CC=C1[C@@H](C)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300009356741	0	44	-1.0	-60.09	345.86	7.67	-52.42
COC1=CC=CC=C1[C@@H](C)NC(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300009356742	0	38	-1.0	-48.51	335.96	8.05	-40.46
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NC(=O)C1(NC(=O)CCCC(=O)[O-])CCS(=O)(=O)CC1	REAL300009356745	0	37	-1.0	-68.87	307.19	-1.19	-70.06
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NC(=O)C1(NC(=O)CCCCC(=O)[O-])CCS(=O)(=O)CC1	REAL300009356749	0	40	-1.0	-63.14	328.69	-0.41	-63.55
NC(=O)C1(NC(=O)C2=CC=C(C(=O)[O-])N=C2)CCS(=O)(=O)CC1	REAL300009356750	0	37	-1.0	-61.99	316.30	-1.59	-63.58
NC(=O)C1(NC(=O)C2CCC(C(=O)[O-])CC2)CCS(=O)(=O)CC1	REAL300009356751	0	44	-1.0	-70.86	333.52	0.47	-70.39
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NC(=O)C1(NC(=O)C2=COC(C=CC(=O)[O-])=C2)CCS(=O)(=O)CC1	REAL300009356757	0	39	-1.0	-70.20	337.66	-0.36	-70.56
NC(=O)C1(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)CCS(=O)(=O)CC1	REAL300009356758	0	39	-1.0	-60.19	340.67	-0.00	-60.19
NC(=O)C1(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCS(=O)(=O)CC1	REAL300009356759	0	38	-1.0	-68.53	311.64	-0.79	-69.32
NC(=O)C1(NC(=O)C2=CC=CN(CC(=O)[O-])C2=O)CCS(=O)(=O)CC1	REAL300009356760	0	41	-1.0	-56.81	344.04	-0.12	-56.93
NC(=O)C1(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])CCS(=O)(=O)CC1	REAL300009356761	0	38	-1.0	-61.31	305.57	-0.82	-62.13
NC(=O)C1(NC(=O)C2CCCN(CC(=O)[O-])C2=O)CCS(=O)(=O)CC1	REAL300009356762	0	45	-1.0	-69.68	360.67	-0.54	-70.22
NC(=O)C1(NC(=O)C23CC(C(=O)[O-])(C2)C3)CCS(=O)(=O)CC1	REAL300009356763	0	39	-1.0	-61.05	323.60	-0.26	-61.31
NC(=O)C1(NC(=O)C2=CC(C(=O)[O-])=NN2)CCS(=O)(=O)CC1	REAL300009356764	0	35	-1.0	-65.85	303.81	-3.34	-69.19
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2(C(N)=O)CCS(=O)(=O)CC2)C=C1	REAL300009356765	0	47	-1.0	-65.65	373.17	1.81	-63.84
NC(=O)C1(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCS(=O)(=O)CC1	REAL300009356766	0	44	-1.0	-72.70	345.81	0.45	-72.25
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300009356767	0	50	-1.0	-65.38	404.75	10.26	-55.12
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300009356768	0	50	-1.0	-55.79	408.89	10.30	-45.49
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C(C)C(=O)[O-]	REAL300009356769	0	46	-1.0	-61.56	370.20	9.00	-52.56
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)CCCC(=O)[O-]	REAL300009356770	0	49	-1.0	-58.29	394.40	8.89	-49.40
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)COCC(=O)[O-]	REAL300009356771	0	47	-1.0	-63.21	383.68	8.10	-55.11
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300009356772	0	49	-1.0	-50.13	404.62	8.51	-41.62
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300009356773	0	53	-1.0	-60.37	415.33	9.88	-50.49
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)CCCCC(=O)[O-]	REAL300009356774	0	52	-1.0	-53.78	415.90	9.67	-44.11
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300009356775	0	49	-1.0	-56.42	405.03	8.55	-47.87
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1CCC(C(=O)[O-])CC1	REAL300009356776	0	56	-1.0	-60.48	427.20	10.38	-50.10
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300009356777	0	54	-1.0	-55.30	439.86	10.60	-44.70
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300009356778	0	54	-1.0	-62.19	435.82	10.54	-51.65
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1=CN(CC(=O)[O-])N=N1	REAL300009356779	0	49	-1.0	-54.67	410.31	7.00	-47.67
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300009356780	0	50	-1.0	-58.99	410.84	8.00	-50.99
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1COC(CCC(=O)[O-])C1	REAL300009356781	0	57	-1.0	-55.72	449.03	8.98	-46.74
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300009356782	0	51	-1.0	-60.52	422.17	9.71	-50.81
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300009356783	0	51	-1.0	-56.29	429.75	10.12	-46.17
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	REAL300009356784	0	50	-1.0	-57.41	399.33	9.27	-48.14
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300009356785	0	53	-1.0	-64.95	431.88	9.95	-55.00
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300009356786	0	50	-1.0	-66.80	395.29	9.11	-57.69
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C12CC(C(=O)[O-])(C1)C2	REAL300009356787	0	51	-1.0	-53.90	411.03	9.85	-44.05
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)C1=CC(C(=O)[O-])=NN1	REAL300009356788	0	47	-1.0	-59.52	393.03	6.74	-52.78
CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300009356789	0	56	-1.0	-61.97	432.81	10.44	-51.53
COC1=CC=C(NC(=O)C2=NN(C3=CC=CC=C3)C(C(=O)[O-])C2)C=C1C#N	REAL300009356790	0	42	-1.0	-55.85	368.37	7.52	-48.33
COC1=CC=C(NC(=O)C2=C(C(=O)[O-])C=NN2C)C=C1C#N	REAL300009356791	0	33	-1.0	-68.31	293.39	5.38	-62.93
COC1=CC=C(NC(=O)C2(C(=O)[O-])CC=CCC2)C=C1C#N	REAL300009356792	0	37	-1.0	-46.83	311.01	6.72	-40.11
COC1=CC=C(NC(=O)C2(C(=O)[O-])CCCCC2)C=C1C#N	REAL300009356793	0	39	-1.0	-50.20	315.85	6.89	-43.31
COC1=CC=C(NC(=O)C2=C(COCC(=O)[O-])OC=N2)C=C1C#N	REAL300009356794	0	36	-1.0	-54.57	331.14	2.30	-52.27
COC1=CC=C(NC(=O)C2(C(=O)[O-])CC3CCC2C3)C=C1C#N	REAL300009356795	0	40	-1.0	-53.64	323.06	7.08	-46.56
COC1=CC=C(NC(=O)C2CCC(C(=O)[O-])CC2)C=C1C#N	REAL300009356796	0	39	-1.0	-72.29	318.74	6.88	-65.41
COC1=CC=C(NC(=O)C2(C(=O)[O-])CCOCC2)C=C1C#N	REAL300009356797	0	37	-1.0	-48.34	306.11	4.48	-43.86
COC1=CC=C(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C=C1C#N	REAL300009356798	0	42	-1.0	-49.03	338.42	7.07	-41.96
COC1=CC=C(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1C#N	REAL300009356799	0	37	-1.0	-55.92	329.90	7.07	-48.85
COC1=CC=C(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=C1C#N	REAL300009356800	0	37	-1.0	-64.21	329.97	7.05	-57.16
COC1=CC=C(NC(=O)C(C(=O)[O-])C2CCCC2)C=C1C#N	REAL300009356801	0	39	-1.0	-46.82	325.75	7.05	-39.77
COC1=CC=C(NC(=O)C2(C(=O)[O-])CCCCCC2)C=C1C#N	REAL300009356802	0	42	-1.0	-50.40	317.19	7.51	-42.89
COC1=CC=C(NC(=O)C2(C(=O)[O-])CCSCC2)C=C1C#N	REAL300009356803	0	37	-1.0	-45.74	314.32	6.66	-39.08
COC1=CC=C(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C=C1C#N	REAL300009356804	0	39	-1.0	-53.08	332.78	2.98	-50.10
COC1=CC=C(NC(=O)C2=CN(CC(=O)[O-])N=N2)C=C1C#N	REAL300009356805	0	32	-1.0	-47.80	300.03	3.46	-44.34
COC1=CC=C(NC(=O)C2=CC(C(=O)[O-])=NN2C)C=C1C#N	REAL300009356806	0	33	-1.0	-64.52	299.43	4.64	-59.88
COC1=CC=C(NC(=O)C2COC(CCC(=O)[O-])C2)C=C1C#N	REAL300009356807	0	40	-1.0	-58.89	340.13	5.49	-53.40
COC1=CC=C(NC(=O)C2=COC(C=CC(=O)[O-])=C2)C=C1C#N	REAL300009356808	0	34	-1.0	-62.92	316.32	6.27	-56.65
COC1=CC=C(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)C=C1C#N	REAL300009356809	0	34	-1.0	-54.03	319.47	6.60	-47.43
COC1=CC=C(NC(=O)C2=CC=CN(CC(=O)[O-])C2=O)C=C1C#N	REAL300009356810	0	36	-1.0	-52.35	322.82	6.48	-45.87
COC1=CC=C(NC(=O)C2CCCN(CC(=O)[O-])C2=O)C=C1C#N	REAL300009356811	0	40	-1.0	-58.17	339.58	6.00	-52.17
COC1=CC=C(NC(=O)C2=NC=C(Br)C=C2C(=O)[O-])C=C1C#N	REAL300009356812	0	32	-1.0	-54.41	315.63	6.39	-48.02
COC1=CC=C(NC(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1C#N	REAL300009356813	0	42	-1.0	-58.89	351.67	8.43	-50.46
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O=C([O-])CN1CCCC(C(=O)NCC23CCCCC2C3(F)F)C1=O	REAL300009850933	0	45	-1.0	-52.26	351.94	7.47	-44.79
O=C([O-])C1=CC(Br)=CN=C1C(=O)NCC12CCCCC1C2(F)F	REAL300009850934	0	37	-1.0	-52.58	326.90	7.50	-45.08
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NCC23CCCCC2C3(F)F)C=C1	REAL300009850935	0	47	-1.0	-51.32	363.52	9.81	-41.51
O=C([O-])C1(C(=O)NCC23CCCCC2C3(F)F)CCCC1	REAL300009850936	0	41	-1.0	-48.54	314.99	7.87	-40.67
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC23CCCCC2C3(F)F)C1	REAL300009850937	0	44	-1.0	-57.08	336.96	8.43	-48.65
O=C([O-])C1=CC=C(C(=O)NCC23CCCCC2C3(F)F)C(Br)=C1	REAL300009850938	0	38	-1.0	-47.12	326.65	8.79	-38.33
O=C([O-])C1CC(C(=O)NC2(C3CC3)CCOCC2)=NN1C1=CC=CC=C1	REAL300009850939	0	48	-1.0	-49.72	370.27	7.28	-42.44
O=C([O-])COC1=CC=C(C(=O)NC2(C3CC3)CCOCC2)C=C1	REAL300009850940	0	43	-1.0	-47.74	333.68	6.98	-40.76
O=C([O-])COC1=CC=CC(C(=O)NC2(C3CC3)CCOCC2)=C1	REAL300009850941	0	43	-1.0	-54.79	333.75	6.97	-47.82
O=C([O-])CCC1CC(C(=O)NC2(C3CC3)CCOCC2)CO1	REAL300009850942	0	46	-1.0	-53.78	342.71	5.43	-48.35
O=C([O-])C=CC1=CC(C(=O)NC2(C3CC3)CCOCC2)=CO1	REAL300009850943	0	40	-1.0	-53.75	320.02	6.15	-47.60
O=C(C=CC1=CC=C(C(=O)[O-])O1)NC1(C2CC2)CCOCC1	REAL300009850944	0	40	-1.0	-47.70	322.98	6.50	-41.20
O=C([O-])CN1C=CC=C(C(=O)NC2(C3CC3)CCOCC2)C1=O	REAL300009850945	0	42	-1.0	-50.27	326.26	6.40	-43.87
O=C([O-])CN1C=C(Br)C=C(C(=O)NC2(C3CC3)CCOCC2)C1=O	REAL300009850946	0	42	-1.0	-44.44	347.73	6.98	-37.46
O=C([O-])CN1CCCC(C(=O)NC2(C3CC3)CCOCC2)C1=O	REAL300009850947	0	46	-1.0	-57.08	345.15	5.79	-51.29
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2(C3CC3)CCOCC2)C=C1	REAL300009850948	0	48	-1.0	-50.50	357.24	8.37	-42.13
O=C([O-])C1=CC=C(C(=O)NC2(C3CC3)CCOCC2)C(Br)=C1	REAL300009850949	0	39	-1.0	-46.68	318.86	7.30	-39.38
O=C([O-])C1CC(C(=O)NC2CC[C@@H](O)[C@@H](O)C2)=NN1C1=CC=CC=C1	REAL300009850950	0	45	-1.0	-52.46	364.08	1.52	-50.94
O=C([O-])COCC1=C(C(=O)NC2CC[C@@H](O)[C@@H](O)C2)N=CO1	REAL300009850951	0	39	-1.0	-57.42	329.50	-3.66	-61.08
O=C([O-])COC1=CC=C(C(=O)NC2CC[C@@H](O)[C@@H](O)C2)C=C1	REAL300009850952	0	40	-1.0	-52.12	327.53	1.23	-50.89
O=C([O-])COC1=CC=CC(C(=O)NC2CC[C@@H](O)[C@@H](O)C2)=C1	REAL300009850953	0	40	-1.0	-56.56	328.33	1.10	-55.46
O=C([O-])C1(C(=O)NC2CC[C@@H](O)[C@@H](O)C2)CCSCC1	REAL300009850954	0	40	-1.0	-46.78	311.73	0.91	-45.87
O=C([O-])C1(C(=O)NC2CC[C@@H](O)[C@@H](O)C2)CCS(=O)(=O)CC1	REAL300009850955	0	42	-1.0	-50.05	331.32	-2.92	-52.97
O=C([O-])CCC1CC(C(=O)NC2CC[C@@H](O)[C@@H](O)C2)CO1	REAL300009850956	0	43	-1.0	-52.68	338.39	-0.46	-53.14
O=C([O-])CN1C=CC=C(C(=O)NC2CC[C@@H](O)[C@@H](O)C2)C1=O	REAL300009850957	0	39	-1.0	-54.22	320.34	0.63	-53.59
O=C([O-])CN1C=C(Br)C=C(C(=O)NC2CC[C@@H](O)[C@@H](O)C2)C1=O	REAL300009850958	0	39	-1.0	-47.41	341.68	1.22	-46.19
O=C([O-])CN1CCCC(C(=O)NC2CC[C@@H](O)[C@@H](O)C2)C1=O	REAL300009850959	0	43	-1.0	-61.80	337.49	0.20	-61.60
O=C([O-])C1=CC(Br)=CN=C1C(=O)NC1CC[C@@H](O)[C@@H](O)C1	REAL300009850960	0	35	-1.0	-58.76	314.30	0.50	-58.26
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2CC[C@@H](O)[C@@H](O)C2)C=C1	REAL300009850961	0	45	-1.0	-54.74	349.62	2.56	-52.18
O=C([O-])C1=CC=C(C(=O)NC2CC[C@@H](O)[C@@H](O)C2)C(Br)=C1	REAL300009850962	0	36	-1.0	-50.55	312.74	1.55	-49.00
O=C([O-])C1CC(C(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)=NN1C1=CC=CC=C1	REAL300009850963	0	43	-1.0	-54.78	348.23	3.32	-51.46
O=C([O-])COC1=CC=C(C(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)C=C1	REAL300009850964	0	38	-1.0	-51.73	304.67	2.23	-49.50
O=C([O-])COC1=CC=CC(C(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)=C1	REAL300009850965	0	38	-1.0	-47.75	309.65	2.45	-45.30
O=C([O-])CN1C=CC=C(C(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)C1=O	REAL300009850966	0	37	-1.0	-62.77	309.82	1.71	-61.06
O=C([O-])CN1C=C(Br)C=C(C(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)C1=O	REAL300009850967	0	37	-1.0	-55.99	335.17	2.50	-53.49
O=C([O-])CN1CCCC(C(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)C1=O	REAL300009850968	0	41	-1.0	-59.99	317.78	0.97	-59.02
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)C=C1	REAL300009850969	0	43	-1.0	-50.65	331.96	3.70	-46.95
O=C([O-])C1=CC=C(C(=O)N2C[C@@H](O)[C@@H]3COC[C@@H]32)C(Br)=C1	REAL300009850970	0	34	-1.0	-48.73	296.74	2.75	-45.98
O=C([O-])C1=CC=CC(C(=O)NC2=CC=NN2C2CC2(F)F)=C1	REAL300009850971	0	32	-1.0	-60.80	292.25	7.68	-53.12
O=C([O-])C1=CC=C(C(=O)NC2=CC=NN2C2CC2(F)F)C=C1	REAL300009850972	0	32	-1.0	-51.15	292.23	7.68	-43.47
O=C([O-])C1CC(C(=O)NC2=CC=NN2C2CC2(F)F)=NN1C1=CC=CC=C1	REAL300009850973	0	41	-1.0	-50.18	360.26	8.31	-41.87
O=C([O-])C1=CC=C(C(=O)NC2=CC=NN2C2CC2(F)F)N=C1	REAL300009850974	0	31	-1.0	-43.52	289.66	5.96	-37.56
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=NN1C1CC1(F)F	REAL300009850975	0	32	-1.0	-53.73	298.24	5.11	-48.62
CCC(CC)(C(=O)[O-])C(=O)NC1=CC=NN1C1CC1(F)F	REAL300009850976	0	37	-1.0	-45.30	306.85	6.97	-38.33
O=C([O-])C1(C(=O)NC2=CC=NN2C2CC2(F)F)CC=CCC1	REAL300009850977	0	36	-1.0	-45.86	304.07	7.62	-38.24
O=C([O-])C1=CC=C(C(=O)NC2=CC=NN2C2CC2(F)F)C=N1	REAL300009850978	0	31	-1.0	-51.64	288.12	5.90	-45.74
O=C([O-])C1(C(=O)NC2=CC=NN2C2CC2(F)F)CCCCC1	REAL300009850979	0	38	-1.0	-44.69	309.06	7.78	-36.91
O=C([O-])COCC1=C(C(=O)NC2=CC=NN2C2CC2(F)F)N=CO1	REAL300009850980	0	35	-1.0	-57.10	324.40	3.21	-53.89
O=C([O-])C1(C(=O)NC2=CC=NN2C2CC2(F)F)CCCO1	REAL300009850981	0	33	-1.0	-48.81	291.04	5.62	-43.19
CC(C)(C)C(C(=O)[O-])C(=O)NC1=CC=NN1C1CC1(F)F	REAL300009850982	0	37	-1.0	-42.89	303.19	7.05	-35.84
O=C([O-])C1(C(=O)NC2=CC=NN2C2CC2(F)F)CC2CCC1C2	REAL300009850983	0	39	-1.0	-46.02	317.40	7.93	-38.09
O=C([O-])C1CCC(C(=O)NC2=CC=NN2C2CC2(F)F)CC1	REAL300009850984	0	38	-1.0	-52.93	318.28	7.92	-45.01
O=C([O-])C1(C(=O)NC2=CC=NN2C2CC2(F)F)CCOCC1	REAL300009850985	0	36	-1.0	-43.77	300.42	5.41	-38.36
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1=CC=NN1C1CC1(F)F	REAL300009850986	0	41	-1.0	-44.76	328.18	8.03	-36.73
O=C([O-])COC1=CC=C(C(=O)NC2=CC=NN2C2CC2(F)F)C=C1	REAL300009850987	0	36	-1.0	-51.87	323.25	7.98	-43.89
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=NN2C2CC2(F)F)=C1	REAL300009850988	0	36	-1.0	-58.75	323.32	7.96	-50.79
O=C([O-])C(C(=O)NC1=CC=NN1C1CC1(F)F)C1CCCC1	REAL300009850989	0	38	-1.0	-41.42	313.44	7.99	-33.43
O=C([O-])C1(C(=O)NC2=CC=NN2C2CC2(F)F)CCCCCC1	REAL300009850990	0	41	-1.0	-46.87	313.92	8.45	-38.42
O=C([O-])C1(C(=O)NC2=CC=NN2C2CC2(F)F)CCSCC1	REAL300009850991	0	36	-1.0	-44.50	307.34	7.58	-36.92
O=C([O-])C1(C(=O)NC2=CC=NN2C2CC2(F)F)CCS(=O)(=O)CC1	REAL300009850992	0	38	-1.0	-45.85	326.24	3.87	-41.98
O=C([O-])CN1C=C(C(=O)NC2=CC=NN2C2CC2(F)F)N=N1	REAL300009850993	0	31	-1.0	-47.26	293.29	4.36	-42.90
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=NN1C1CC1(F)F	REAL300009850994	0	32	-1.0	-50.87	294.21	5.36	-45.51
O=C([O-])CCC1CC(C(=O)NC2=CC=NN2C2CC2(F)F)CO1	REAL300009850995	0	39	-1.0	-55.66	333.41	6.39	-49.27
O=C([O-])C=CC1=CC(C(=O)NC2=CC=NN2C2CC2(F)F)=CO1	REAL300009850996	0	33	-1.0	-58.67	309.55	7.16	-51.51
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=NN2C2CC2(F)F)O1	REAL300009850997	0	33	-1.0	-51.03	312.84	7.49	-43.54
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=NN2C2CC2(F)F)C1=O	REAL300009850998	0	35	-1.0	-51.84	316.13	7.37	-44.47
O=C([O-])CN1CCCC(C(=O)NC2=CC=NN2C2CC2(F)F)C1=O	REAL300009850999	0	39	-1.0	-50.96	333.27	6.94	-44.02
O=C([O-])C1=CC(Br)=CN=C1C(=O)NC1=CC=NN1C1CC1(F)F	REAL300009851000	0	31	-1.0	-57.12	309.28	7.27	-49.85
N#CCCC(NC(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300009871899	0	43	-1.0	-57.60	364.05	5.50	-52.10
N#CCCC(NC(=O)C1=CC=C(CN2C=CN=N2)C=C1)C(=O)[O-]	REAL300009871900	0	37	-1.0	-65.02	334.70	6.40	-58.62
N#CCCC(NC(=O)C1=CC=CN2C=C(C(F)(F)F)N=C12)C(=O)[O-]	REAL300009871901	0	34	-1.0	-63.14	324.07	8.13	-55.01
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=C(C)N1C1=CN(C)N=C1	REAL300009871902	0	42	-1.0	-57.94	363.56	7.59	-50.35
CC1=NC(C2=CC=CS2)=C(CC(=O)NC(CCC#N)C(=O)[O-])S1	REAL300009871903	0	37	-1.0	-54.07	350.59	6.98	-47.09
N#CCCC(NC(=O)C1(C(F)(F)F)CCOCC1)C(=O)[O-]	REAL300009871904	0	35	-1.0	-47.32	300.26	4.66	-42.66
CC1=CC=NC(NC2=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C2)=N1	REAL300009871905	0	41	-1.0	-58.24	360.40	9.21	-49.03
N#CCCC(NC(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300009871906	0	31	-1.0	-51.78	308.64	7.49	-44.29
N#CCCC(NC(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C(=O)[O-]	REAL300009871907	0	37	-1.0	-54.77	334.63	8.62	-46.15
CC1=C(S(C)(=O)=O)C=C(C(=O)NC(CCC#N)C(=O)[O-])O1	REAL300009871908	0	34	-1.0	-63.78	321.94	2.35	-61.43
N#CCCC(NC(=O)C1C2CC3=C(Cl)C=CC=C3C21)C(=O)[O-]	REAL300009871909	0	36	-1.0	-55.94	324.92	8.89	-47.05
N#CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300009871910	0	35	-1.0	-55.65	338.22	8.91	-46.74
CC1=CC=C2OC=C(CC(=O)NC(CCC#N)C(=O)[O-])C2=C1	REAL300009871911	0	37	-1.0	-56.96	331.04	7.67	-49.29
CCCC(C(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300009871912	0	40	-1.0	-50.47	357.13	9.05	-41.42
N#CCCC(NC(=O)C1(C2=CC(F)=CC(F)=C2)CCCC1)C(=O)[O-]	REAL300009871913	0	41	-1.0	-54.51	344.36	9.27	-45.24
N#CCCC(NC(=O)C1=C(Br)C(Br)=CS1)C(=O)[O-]	REAL300009871914	0	25	-1.0	-51.88	286.92	6.19	-45.69
CS(=O)(=O)C1=CC=C(C=CC(=O)NC(CCC#N)C(=O)[O-])O1	REAL300009871915	0	35	-1.0	-59.88	336.68	3.02	-56.86
N#CCCC(NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C(=O)[O-]	REAL300009871916	0	33	-1.0	-58.43	313.15	6.08	-52.35
CCSC1=CC=C(CC(=O)NC(CCC#N)C(=O)[O-])C(Br)=C1	REAL300009871917	0	38	-1.0	-52.09	361.04	8.99	-43.10
N#CCCC(NC(=O)C1CCC2=CC=CC=C2CC1)C(=O)[O-]	REAL300009871918	0	41	-1.0	-55.06	334.26	8.93	-46.13
N#CCCC(NC(=O)C1=CC2=CC(Br)=CC=C2S1)C(=O)[O-]	REAL300009871919	0	31	-1.0	-51.13	317.44	7.99	-43.14
N#CCCC(NC(=O)[C@@H]1C[C@H]1C1=CSC(Br)=C1)C(=O)[O-]	REAL300009871920	0	32	-1.0	-51.61	321.20	7.73	-43.88
N#CCCC(NC(=O)C1=CC=C(OC2CC2(F)F)C=C1)C(=O)[O-]	REAL300009871921	0	36	-1.0	-55.16	330.11	7.20	-47.96
N#CCCC(NC(=O)C1=CC=C(OC(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300009871922	0	32	-1.0	-49.80	318.75	6.40	-43.40
COC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1Br	REAL300009871923	0	32	-1.0	-51.65	306.71	6.01	-45.64
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1OC(F)(F)F	REAL300009871924	0	35	-1.0	-50.28	322.78	6.60	-43.68
N#CCCC(NC(=O)C1COC2=CC(F)=CC=C2C1)C(=O)[O-]	REAL300009871925	0	36	-1.0	-51.03	318.10	6.57	-44.46
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])C=C(S(C)(=O)=O)O1	REAL300009871926	0	34	-1.0	-57.73	322.01	2.34	-55.39
N#CCCC(NC(=O)C(F)(F)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300009871927	0	31	-1.0	-46.78	312.61	7.37	-39.41
N#CCCC(NC(=O)C1=CC(Cl)=CC2=CC=CC=C21)C(=O)[O-]	REAL300009871928	0	34	-1.0	-53.21	314.40	8.80	-44.41
N#CCCC(NC(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300009871929	0	28	-1.0	-52.32	288.13	6.12	-46.20
N#CCCC(NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C(=O)[O-]	REAL300009871930	0	41	-1.0	-55.33	341.31	8.99	-46.34
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=NN1C1CCOCC1	REAL300009871931	0	42	-1.0	-58.69	356.64	5.27	-53.42
CN1C=C(N2CC(C(=O)NC(CCC#N)C(=O)[O-])CC2=O)C=N1	REAL300009871932	0	39	-1.0	-54.61	342.38	4.80	-49.81
N#CCCC(NC(=O)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)C(=O)[O-]	REAL300009871933	0	39	-1.0	-62.12	347.58	7.20	-54.92
N#CCCC(NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-]	REAL300009871934	0	37	-1.0	-75.93	310.52	5.15	-70.78
CS(=O)(=O)NC1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300009871935	1	35	-1.0	-60.36	326.01	2.22	-58.14
N#CCCC(NC(=O)C1=CC=C(SC(F)(F)F)N=C1)C(=O)[O-]	REAL300009871936	0	31	-1.0	-50.42	311.12	6.26	-44.16
N#CCCC(NC(=O)C1=CC=NC(N2CCOCC2)=N1)C(=O)[O-]	REAL300009871937	0	39	-1.0	-51.15	337.00	4.48	-46.67
N#CCCC(NC(=O)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)C(=O)[O-]	REAL300009871938	0	34	-1.0	-54.87	346.91	7.33	-47.54
N#CCCC(NC(=O)C1CCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300009871939	0	42	-1.0	-55.73	355.16	6.82	-48.91
CC1=C(C(=O)NC(CCC#N)C(=O)[O-])SC(SCC2=CC=CC=C2)=N1	REAL300009871940	0	41	-1.0	-50.60	385.54	8.90	-41.70
N#CCCC(NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300009871941	0	35	-1.0	-56.86	324.23	7.14	-49.72
N#CCCC(NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C(=O)[O-]	REAL300009871942	0	30	-1.0	-54.24	303.75	5.98	-48.26
CCC1(C(=O)NC(CCC#N)C(=O)[O-])CCC(F)(F)CC1	REAL300009871948	0	40	-1.0	-53.20	321.68	7.19	-46.01
CN1N=CC(C(F)(F)F)=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871949	0	31	-1.0	-55.37	303.08	4.70	-50.67
N#CCCC(NC(=O)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300009871950	0	40	-1.0	-47.12	335.08	6.68	-40.44
CCCCCCCCCCCCC(C)(C)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871951	0	63	-1.0	-53.29	489.36	13.18	-40.11
CCN1C(=O)NC2=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300009871954	0	38	-1.0	-57.00	336.82	5.79	-51.21
N#CCCC(NC(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1)C(=O)[O-]	REAL300009871955	0	39	-1.0	-56.20	341.84	6.45	-49.75
CN1C(=O)CO[C@H](C(=O)NC(CCC#N)C(=O)[O-])[C@H]1C1=CC=CN=C1	REAL300009871956	0	42	-1.0	-50.95	349.71	4.71	-46.24
CC1=CC=C(C2=NN(C)C=C2C(=O)NC(CCC#N)C(=O)[O-])O1	REAL300009871957	0	38	-1.0	-64.29	342.46	7.36	-56.93
N#CCCC(NC(=O)C1(C2=CC=CC=C2)CCCCCC1)C(=O)[O-]	REAL300009871958	0	47	-1.0	-56.90	347.65	10.11	-46.79
N#CCCC(NC(=O)[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)C(=O)[O-]	REAL300009871959	0	39	-1.0	-48.43	348.86	7.31	-41.12
N#CCCC(NC(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300009871960	0	28	-1.0	-56.85	281.66	6.13	-50.72
CC1=NN(C2CCOCC2)C(C(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871961	0	42	-1.0	-52.25	353.58	5.35	-46.90
N#CCCC(NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C(=O)[O-]	REAL300009871962	0	37	-1.0	-50.36	317.45	6.86	-43.50
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871963	0	35	-1.0	-57.09	340.02	8.19	-48.90
COC1=CC=C(CCC(=O)NC(CCC#N)C(=O)[O-])C(Br)=C1	REAL300009871964	0	38	-1.0	-55.36	349.56	7.29	-48.07
N#CCCC(NC(=O)C1=CC=CC(CN2C=CN=N2)=C1)C(=O)[O-]	REAL300009871965	0	37	-1.0	-58.32	333.88	6.43	-51.89
N#CCCC(NC(=O)C1=CC2=CC(C(F)(F)F)=CC=C2S1)C(=O)[O-]	REAL300009871966	0	34	-1.0	-51.34	334.74	8.36	-42.98
N#CCCC(NC(=O)C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300009871967	0	42	-1.0	-51.08	384.42	9.62	-41.46
N#CCCC(NC(=O)C1(OCC2=CC=CC=C2)CCOCC1)C(=O)[O-]	REAL300009871968	0	46	-1.0	-49.12	370.53	6.65	-42.47
CCN1C=C(C(=O)NC(CCC#N)C(=O)[O-])C(C2CCOCC2)=N1	REAL300009871969	0	45	-1.0	-56.82	375.76	5.99	-50.83
COC1=CC=CC(C(=O)NC(CCC#N)C(=O)[O-])=C1OC(C)C	REAL300009871970	0	42	-1.0	-58.51	348.01	7.67	-50.84
N#CCCC(NC(=O)C1=C2C=CC=C(Br)N2N=C1)C(=O)[O-]	REAL300009871971	0	31	-1.0	-56.76	305.75	6.20	-50.56
CN1C=C(C(=O)NC(CCC#N)C(=O)[O-])C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300009871972	0	45	-1.0	-66.79	398.57	8.34	-58.45
CN1C=C(C(=O)NC(CCC#N)C(=O)[O-])C(C2=CC=CO2)=N1	REAL300009871973	0	35	-1.0	-63.07	320.73	6.49	-56.58
N#CCCC(NC(=O)C(=O)NC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300009871974	0	32	-1.0	-53.57	311.30	4.44	-49.13
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=C(C)N1C1=NN(C)C=C1	REAL300009871975	0	42	-1.0	-60.56	364.31	8.41	-52.15
N#CCCC(NC(=O)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300009871976	0	37	-1.0	-59.43	342.76	7.78	-51.65
N#CCCC(NC(=O)C1CCCC1CC1=CC=CC=C1)C(=O)[O-]	REAL300009871977	0	44	-1.0	-56.13	365.29	9.87	-46.26
CCCC(C(=O)NC(CCC#N)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300009871978	0	40	-1.0	-54.84	357.27	9.05	-45.79
CC1(C)CC1(C(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC=C1	REAL300009871979	0	41	-1.0	-52.28	342.35	8.76	-43.52
N#CCCC(NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300009871980	0	35	-1.0	-50.18	333.92	6.91	-43.27
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871981	0	36	-1.0	-58.26	335.71	5.00	-53.26
N#CCCC(NC(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300009871982	0	38	-1.0	-57.47	339.57	7.68	-49.79
N#CCCC(NC(=O)CN1CCC(C2=CC=CC=C2)NC1=O)C(=O)[O-]	REAL300009871983	0	44	-1.0	-58.62	376.69	6.79	-51.83
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871984	0	45	-1.0	-58.03	379.49	5.72	-52.31
CC1CC(C(=O)NC(CCC#N)C(=O)[O-])(C2=CC=CC(Cl)=C2)C1	REAL300009871985	0	41	-1.0	-56.31	360.35	9.46	-46.85
COC1=CC=C(C2(C(=O)NC(CCC#N)C(=O)[O-])CCC2)C=C1OC	REAL300009871986	0	46	-1.0	-60.21	383.51	7.47	-52.74
N#CCCC(NC(=O)C1(C2=C(Cl)C=CC=C2Cl)CCC1)C(=O)[O-]	REAL300009871987	0	38	-1.0	-52.31	340.68	9.02	-43.29
N#CCCC(NC(=O)C1=CC2=C(C=C1Br)OCO2)C(=O)[O-]	REAL300009871988	0	31	-1.0	-51.79	299.10	5.35	-46.44
N#CCCC(NC(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300009871989	0	31	-1.0	-60.06	295.78	6.98	-53.08
N#CCCC(NC(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1)C(=O)[O-]	REAL300009871990	0	34	-1.0	-58.78	324.80	7.49	-51.29
CC1=CC=CC(N2C=NC3=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C32)=C1	REAL300009871991	0	44	-1.0	-59.29	384.83	11.34	-47.95
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)NC(CCC#N)C(=O)[O-])=C21	REAL300009871992	0	36	-1.0	-48.79	328.66	5.64	-43.15
N#CCCC(NC(=O)C1=C(F)C=CC(F)=C1Cl)C(=O)[O-]	REAL300009871993	0	28	-1.0	-54.53	288.70	6.34	-48.19
N#CCCC(NC(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1)C(=O)[O-]	REAL300009871994	0	37	-1.0	-53.67	345.56	6.41	-47.26
N#CCCC(NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300009871995	0	41	-1.0	-53.82	360.73	8.31	-45.51
N#CCCC(NC(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300009871996	0	28	-1.0	-57.41	280.75	6.01	-51.40
N#CCCC(NC(=O)C1=CC=C(Br)C=C1N1C=NN=N1)C(=O)[O-]	REAL300009871997	0	33	-1.0	-64.68	324.13	7.45	-57.23
N#CCCC(NC(=O)C1=CC(Br)=CNC1=O)C(=O)[O-]	REAL300009871998	0	28	-1.0	-61.84	280.62	3.81	-58.03
N#CCCC(NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C(=O)[O-]	REAL300009871999	0	38	-1.0	-57.67	339.17	5.89	-51.78
N#CCCC(NC(=O)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)C(=O)[O-]	REAL300009872000	0	44	-1.0	-54.32	378.84	9.65	-44.67